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Entry ID	Original Release date	Data summary	Entry Title	Citation Title	Authors
36768	2026-03-31	Chemical Shifts: 1 set	Phosphorylation dependent recognition of RIPK1 by phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1	Repression of RIPK1 kinase by INPP5D inhibits expression of diverse proinflammatory mediators and late-onset Alzheimer's disease risk factors.	Bing Shan, Bing Zhu, Chengyu Zou, Chunting Qi, Cui Li, Heling Pan, Hongyang Jing, James J Chou, Jianping Liu, Jingli Liu, Junying Yuan, Kaiwen He, Lihui Qian, Linyu Shi, Maoqing Huang, Meiling Hou, Mengmeng Zhang, Qiong Wang, Shenghao Yuan, Shufen Yuan, Wei Liang, Wei Liu, Weimin Sun, Wenyuan Wang, Xingxing Xie, Xueqi Gong, Yaqi Wu, Yici Zhang, Ying Li, Yong Shen, Yunxia Li, Ze Cao, Zhijun Liu
36730	2026-03-26	Chemical Shifts: 1 set	Solution NMR structure of the rosin A1 lanthipeptide	A Unique Class of Cyclases with a Kinase Fold Catalyzes Enethiol-Mediated Macrocyclization of Aminovinyl-Cysteine Motifs in Lanthipeptides.	Hong-Wei W Yao, Huan Wang, Jiang-Tao T Gao, Jing-Xue X Wang, Li-Juan J Liao, Meng-Xin X Sun, Wen Guo, Xiang-Qian Q Xie, Yin-Zheng Z Xia
36702	2026-03-26	Chemical Shifts: 1 set	The outward-open structure of BjSemiSWEET in native cellular membranes determined by in situ solid-state NMR	Dynamic structures of a membrane transporter in native cellular membranes.	Huan Tan, Huayong Xie, Jun Yang, Mojie Duan, Qiong Tong, Weijing Zhao, Yang Shen, Yan Zhang, Yongxiang Zhao, Yuefang Gan
36703	2026-03-26	Chemical Shifts: 1 set	The occluded structures of BjSemiSWEET in native cellular membranes determined by in situ solid-state NMR	Dynamic structures of a membrane transporter in native cellular membranes.	Huan Tan, Huayong Xie, Jun Yang, Mojie Duan, Qiong Tong, Weijing Zhao, Yang Shen, Yan Zhang, Yongxiang Zhao, Yuefang Gan
52528	2025-05-22	Chemical Shifts: 1 set	Backbone and sidechain assignments of hSTING155-341 G230A/H232R/R293Q in complex with ABZI	Orthosteric STING inhibition elucidates molecular correction of SAVI STING	Alaric J Dyckman, Asmita Choudhury, Cameron Messier, Chunshan Xie, David Critton, David L Hope, Janet Caceres-Cortes, Jeffrey Tredup, John A Newitt, John S Sack, Joseph Naglich, Laurel B Stine, Leidy Merselis, Luciano Mueller, Max Ruzanov, Ping Zhang, Stephen C Wilson, Tao Xie
52522	2025-05-22	Chemical Shifts: 1 set	Backbone and sidechain assignments of hSTING155-341 G230A/H232R/R293Q in complex with THIQi	Orthosteric STING inhibition elucidates molecular correction of SAVI STING	Alaric J Dyckman, Asmita Choudhury, Cameron Messier, Chunshan Xie, David Critton, David L Hope, Janet Caceres-Cortes, Jeffrey Tredup, John A Newitt, John S Sack, Joseph Naglich, Laurel B Stine, Leidy Merselis, Luciano Mueller, Max Ruzanov, Ping Zhang, Stephen C Wilson, Tao Xie
52197	2024-01-04	Chemical Shifts: 2 sets	Partial solid-state NMR 13C, 15N resonance assignments of the two conformations of Bj-SemiSWEET in native celular membranes	Membrane Protein Structures in Native Cellular Membranes Revealed by Solid-State NMR Spectroscopy	Huayong Xie, Jun Yang, Weijing Zhao, Xuning Zhang, Yan Zhang, Yongxiang Zhao, Yuefang Gan
52012	2023-07-05	Chemical Shifts: 1 set	Chemical shifts of Methanosarcina acetivorans mechanosensitive channel of large conductance(Ma-MscL) in native cellular membranes by solid-state NMR	Membrane Protein Structures in Native Cellular Membranes Revealed by Solid-State NMR Spectroscopy	Huayong Xie, Jun Yang, Weijing Zhao, Xuning Zhang, Yan Zhang, Yongxiang Zhao, Yuefang Gan
36514	2025-10-27	Chemical Shifts: 1 set	Solid-state NMR Structure of Aquaporin Z in its Native Cellular Membranes	Solid-state NMR structure determination of a membrane protein in E. coli cellular inner membrane.	Huayong Xie, Jun Yang, Maili Liu, Weijing Zhao, Yanke Chen, Yongxiang Zhao
51396	2022-07-06	Chemical Shifts: 1 set	Mouse complexin-1 C-terminal domain chemical shift information	Membrane binding induces distinct structural signatures in the mouse complexin-1 C-terminal domain	Alex L Lai, David Eliezer, Emily M Grasso, Jack H Freed, Mayu Terakawa, Trudy F Ramlall, Ying Xue Xie
51397	2022-07-06	Chemical Shifts: 1 set	Mouse complexin-1 C-terminal domain + DPC micelles chemical shift information	Membrane binding induces distinct structural signatures in the mouse complexin-1 C-terminal domain	Alex L Lai, David Eliezer, Emily M Grasso, Jack H Freed, Mayu Terakawa, Trudy F Ramlall, Ying Xue Xie
30951	2022-07-21	Chemical Shifts: 1 set	NMR solution structure of a neurotoxic thionin from Urtica ferox	Neurotoxic and cytotoxic peptides underlie the painful stings of the tree nettle Urtica ferox	Brett R Hamilton, David J Craik, Edward K Gilding, Fabian Rehm, Irina Vetter, Jennifer R Deuis, Jing Xie, Kuok Yap, Lai Yue Y Chan, Lotten Ragnarsson, Peta J Harvey, Samuel D Robinson, Sina Jami, Thomas Durek
30772	2020-10-05	Chemical Shifts: 1 set	Abl 1b isoform inactive2 state	Conformational states dynamically populated by a kinase determine its function	C G Kalodimos, P Rossi, T Saleh, T Xie
30770	2020-10-05	Chemical Shifts: 1 set	Ablb 1b isoform active state	Conformational states dynamically populated by a kinase determine its function	C G Kalodimos, P Rossi, T Saleh, T Xie
30771	2020-10-05	Chemical Shifts: 1 set	Abl isoform 1b inactive1 state	Conformational states dynamically populated by a kinase determine its function	C G Kalodimos, P Rossi, T Saleh, T Xie
30379	2018-06-18	Chemical Shifts: 1 set	NMR structure of Sodium/Calcium Exchanger 1 (NCX1) Two-helix Bundle (THB) domain	The Intracellular Loop of the Na+/Ca2+ Exchanger Contains a Novel Two-Helix Bundle Domain	C Yuan, J Yuan, L Bruschweiler-Li, L Yu, M Xie, R Bruschweiler
27244	2018-10-02	Chemical Shifts: 1 set	Chemical shifts assignments of Escherichia coli aquaporin (AqpZ) by solid-state NMR	Chemical shifts assignments of Escherichia coli aquaporin (AqpZ) by solid-state NMR	Hua yong Xie, Yong xiang Zhao
30184	2017-08-04	Chemical Shifts: 1 set	Solution structure of parallel stranded adenosine duplex r(AAAA)-dA-r(AAA)	Influence of nucleotide modifications at the C2' position on the Hoogsteen base-paired parallel-stranded duplex of poly(A) RNA.	Alexey Y Denisov, Anne M Noronha, Christopher J Wilds, Christopher Liczner, Jingwei Xie, Kalle Gehring, Nozhat Safaee, William Copp
26637	2016-07-15	Chemical Shifts: 1 set	Backbone assignments of dengue virus NS4B N-terminal region	Secondary structure and membrane topology of dengue virus NS4B N-terminal 125 amino acids	CongBao Kang, Jing Zou, Julien Lescar, Le Tian Lee, Pei-Yong Shi, Qing-Yin Wang, Qiwei Huang, Shovanlal Gayen, Xuping Xie, Yan Li, Ying Lei Wong, Young Mee Kim
25599	2015-07-13	Chemical Shifts: 2 sets	Solution structure of Sds3 in complex with Sin3A	Structural Insights into the Assembly of the Histone Deacetylase-Associated Sin3L/Rpd3L Corepressor Complex	Alfonso Mondragon, Clarence W Chan, Gregory David, Ishwar Radhakrishnan, Michael Clark, Richard Graveline, Ryan Marcum, Tao Xie, Yongbo Zhang, Yujia Ding, Zhonglei Chen
25556	2015-05-26	Chemical Shifts: 1 set	Solution structure of the MRG15-MRGBP complex	Structural Basis for Multi-specificity of MRG Domains	Adam M Zmysloski, Ishwar Radhakrishnan, Tao Xie, Yongbo Zhang
25423	2015-11-09	Chemical Shifts: 1 set	Solution structure of NDP52 ubiquitin-binding zinc finger	Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2	Jianping Liu, Lifeng Pan, Xiaofang Chen, Xingqiao Xie, Yingli Wang, Zhijie Lin
19865	2014-06-30	Chemical Shifts: 1 set	LASSO PEPTIDE BASED INTEGRIN INHIBITOR: MICROCIN J25 VARIANT WITH RGDF SUBSTITUTION OF GLY12-ILE13-GLY14-THR15	Rational improvement of the affinity and selectivity of integrin binding of grafted lasso peptides.	Ettore Novellino, Francesco Saverio S Di Leva, Horst Kessler, Julian D Hegemann, Luciana Marinelli, Marcel Zimmermann, Mariarosaria De Simone, Mohamed A Marahiel, Stefan Zahler, Thomas A Knappe, Xiulan Xie
19823	2015-01-12	Chemical Shifts: 1 set	Structure of Lasso Peptide Caulonodin V	Characterization of caulonodin lasso peptides revealed unprecedented N-terminal residues and a precursor motif essential for peptide maturation	Julian D Hegemann, Marcel Zimmermann, Mohamed A Marahiel, Xiulan Xie
19716	2015-01-05	Chemical Shifts: 1 set	Zn-binding domain of eukaryotic translation initiation factor 3, subunit G	Solution NMR structure of the Zn-binding domain of eukaryotic translation initiation factor 3, subunit G	Guennadi Kozlov, Jingwei Xie, Kalle Gehring, Marie Menade, Mohamed Sameer Al-Abdul-Wahid
19573	2014-02-11	Chemical Shifts: 1 set	STRUCTURE OF LASSO PEPTIDE XANTHOMONIN II	Xanthomonins I-III: a new class of lasso peptides with a seven-residue macrolactam ring.	Holger Steuber, Julian D Hegemann, Klaus Harms, Marcel Zimmermann, Mohamed A Marahiel, Shaozhou Zhu, Xiulan Xie
19162	2013-06-17	Chemical Shifts: 1 set	Structure of the p7 channel of Hepatitis C virus, genotype 5a	Unusual architecture of the p7 channel from hepatitis C virus.	Bing Sun, Bo OuYang, James J Chou, Jyoti Dev, Marcelo J Berardi, Shiqi Xie, Wenjing Yu, Xinhao Zhao
19156	2014-02-12	Chemical Shifts: 2 sets	1H, 13C, and 15N NMR Assignments of a Hedgehog Autoprocessing Domain	(1)H, (13)C, and (15)N NMR assignments of a Drosophila Hedgehog autoprocessing domain.	Brian Callahan, Chunyu Wang, Jian Xie, Marlene Belfort, Zhenming Du
18948	2014-02-14	Chemical Shifts: 1 set Spectral_peak_list: 1 set	STRUCTURE OF LASSO PEPTIDE ASTEXIN-1(19)	The astexin-1 lasso peptides: biosynthesis, stability, and structural studies.	Julian D Hegemann, Marcel Zimmermann, Mohamed A Marahiel, Xiulan Xie
18822	2013-02-21	Chemical Shifts: 1 set	Solution Structure of the trans-membrane domain of the NS2A of dengue virus	Membrane Topology and Function of Dengue Virus NS2A Protein.	Congbao Kang, Pei-Yong Shi, Shovanlal Gayen, Xuping Xie, Zhiming Yuan
18788	2013-02-21	Chemical Shifts: 1 set	Solution structure of staphylococcal nuclease E43S mutant in the presence of ssDNA and Cd2+	Modeling of the [E43S]SNase-ssDNA-Cd(2+) complex: structural insight into the action of nuclease on ssDNA.	Jinfeng Wang, Lu Shan, Tao Xie, Yingang Feng
18661	2013-01-03	Chemical Shifts: 1 set Homonuclear NOE Values: 1 set	STRUCTURE OF LASSO PEPTIDE CAULOSEGNIN I	Caulosegnins I-III: A Highly Diverse Group of Lasso Peptides Derived from a Single Biosynthetic Gene Cluster.	Julian D Hegemann, Marcel Zimmermann, Mohamed A Marahiel, Xiulan Xie
18649	2012-09-07	Chemical Shifts: 1 set	Transmembrane domain of Amyloid precursor protein WT	Familial Alzheimer's mutations within APPTM increase A42 production by enhancing accessibility of -cleavage site.	Chunyu Wang, David J Rosenman, Eric Gamache, Jian Xie, Maria M Lopez, Wen Chen, Yue-Ming Li
18648	2012-09-07	Chemical Shifts: 1 set	APPTM V44M	Familial Alzheimer's mutations within APPTM increase A42 production by enhancing accessibility of -cleavage site.	Chunyu Wang, David J Rosenman, Eric Gamache, Jian Xie, Maria M Lopez, Wen Chen, Yue-Ming Li
18000	2012-01-17	Chemical Shifts: 1 set	Structural Basis for Molecular Interactions Involving MRG Domains: Implications in Chromatin Biology	Structural Basis for Molecular Interactions Involving MRG Domains: Implications in Chromatin Biology.	Arvind Krishnan, Ganesan Senthil Kumar, Gregory David, Ishwar Radhakrishnan, Richard Graveline, Tao Xie, Yongbo Zhang
11453	2017-03-14	Chemical Shifts: 1 set	Backbone chemical shifts assignment of UHRF1 atypical PHD finger	UHRF1 double tudor domain and the adjacent PHD finger act together to recognize K9me3-containing histone H3 tail	Chengmin Qian, Jean Jakoncic, Si Xie
17653	2011-10-26	Chemical Shifts: 1 set	solution structure of the mSin3A PAH3-SAP30 SID complex	Structure of the 30-kDa Sin3-associated protein (SAP30) in complex with the mammalian Sin3A corepressor and its role in nucleic acid binding.	Hanna Korkeamaki, Ishwar Radhakrishnan, Olli Lohi, Rebecca Imhoff, Tao Xie, Yongbo Zhang, Yuan He
17485	2011-03-30	Chemical Shifts: 1 set	Solution structure of Pf1 SID1-mSin3A PAH2 Complex	Solution Structure of the mSin3A PAH2-Pf1 SID1 Complex: A Mad1/Mxd1-Like Interaction Disrupted by MRG15 in the Rpd3S/Sin3S Complex.	Ganesan Senthil Kumar, Ishwar Radhakrishnan, Tao Xie, Yongbo Zhang
17378	2011-05-18	Chemical Shifts: 1 set	Structure of CEL-PEP-RAGE V domain complex	Advanced Glycation End Product Recognition by the Receptor for AGEs.	Alexander Shekhtman, Ann Marie Schmidt, David S Burz, David Singer, Jingjing Xie, Jing Xue, Ralf Hoffmann, Sergey Reverdatto, Stefan Chabierski, Vivek Rai
21000	2012-02-07	Chemical Shifts: 1 set Conformer_family_coord_set: 1 set Coupling Constants: 1 set Spectral_peak_list: 1 set	Lasso peptide based integrin inhibitor: Microcin J25 variant with RGD substitution of Gly12-Ile13-Gly14	Introducing lasso peptides as molecular scaffolds for drug design: engineering of an integrin antagonist	Carlos Mas-Moruno, Florenz Sasse, Florian Manzenrieder, Horst Kessler, Mohamed A Marahie, Thomas A Knappe, Uwe Linne, Xiulan Xie
20105	2010-01-06	Chemical Shifts: 1 set Conformer_family_coord_set: 1 set	BI-32169	The glucagon receptor antagonist BI-32169 constitutes a new class of lasso peptides.	Mohamed A Marahiel, Thomas A Knappe, Uwe Linne, Xiulan Xie
16457	2010-03-08	Binding_constants: 1 set	The Structural Basis for the Ligand Specificity of Family 2 Carbohydrate-binding Modules	The Structurl Basis for the Ligand Specificity of Family 2 Carbohydrate-binding Modules	David N Bolam, Harry J Gilbert, Hefang Xie, Michael P Williamson, Peter J Simpson
16156	2009-03-09	Chemical Shifts: 1 set	Solution Structure of the Coiled-coil Domain of Synphilin-1	Solution Structure of the Coiled-coil Domain of Synphilin-1	Chenjie Zhou, Donghai Lin, Hongyu Hu, Jing Hong, Yuanyuan Xie, Ziren Zhou
20014	2008-08-28	Chemical Shifts: 1 set Spectral_peak_list: 1 set	STRUCTURE OF ANTIBACTERIAL PEPTIDE CAPISTRUIN: A 19-RESIDUE LARIAT PROTOKNOT WITH A THREADED 9-MEMBER SIDECHAIN TO-BACKBONE RING	Isolation and structural characterization of capistruin, a lasso peptide predicted from the genome sequence of Burkholderia thailandensis E264	M A Marahiel, S Rebuffat, S Zirah, T A Knappe, U Linne, X Xie
15357	2007-07-01	Chemical Shifts: 1 set	the solution structure of SNase complex	The native-like interactions between SNase121 and SNase(111-143) fragments induce the recovery of their native-like structures and the ability to degrade DNA.	Jinfeng Wang, Lu Shan, Tao Xie, Yingang Feng, Yong Geng
15325	2007-07-24	Chemical Shifts: 1 set	C-terminal domain of ORF1p from mouse LINE-1	Identification and solution structure of a highly conserved C-terminal domain within ORF1p required for retrotransposition of long interspersed nuclear element-1	Dan Branciforte, Haihong Wu, Joseph A Loo, Juli Feigon, Kurt Januszyk, Patrick W Li, Robert T Clubb, Sandra L Martin, Valerie Villareal, Yongming Xie
15232	2007-10-29	Chemical Shifts: 1 set	proline-free mutant of SNase V8	Restricted backbone conformational and motional flexibilities of loops containing peptidyl-proline bonds dominate the enzyme activity of staphylococcal nuclease(,).	Jinfeng Wang, Lu Shan, Min Wang, Tao Xie, Yufeng Tong
15150	2007-10-24	Chemical Shifts: 1 set	Solution Structure and Binding Property of the Domain-swapped Dimer of ZO2PDZ2	Domain-swapped dimerization of the second PDZ domain of ZO2 may provide a structural basis for the polymerization of claudins	D Xie, G Zhang, H Huang, J H Wu, J H Zhang, J W Wu, M Wu, P Ji, P Jiang, W Du, Y S Yang, Y Y Shi
15095	2009-09-29	Chemical Shifts: 1 set	Solution Structure of a Dodecapeptide from Alpha-Synuclein Bound with Synphilin-1	Interaction with synphilin-1 promotes inclusion formation of alpha-synuclein: mechanistic insights and pathological implication.	Ai-Xin Song, Chen-Jie Zhou, Dong-Hai Lin, Hong-Yu Hu, Jing Hong, Mei-Xia Che, Qing-Shan Fu, Yuan-Yuan Xie, Zi-Ren Zhou
6908	2007-07-10	Chemical Shifts: 1 set	1H, 13C, and 15N Chemical Shift Assignments for SNase110 fragment of Staphylococcal Nuclease in 2M TMAO	Folding stability and cooperativity of the three forms of 1-110 residues fragment of staphylococcal nuclease	Dongsheng Liu, Jinfeng Wang, Lu Shan, Tao Xie, Yingang Feng
6907	2007-07-10	Chemical Shifts: 1 set	Chemical Shift Assignments for V66W110 fragment of Staphylococcal Nuclease	Folding stability and cooperativity of the three forms of 1-110 residues fragment of staphylococcal nuclease	Dongsheng Liu, Jinfeng Wang, Lu Shan, Tao Xie, Yingang Feng
5536	2007-07-10	Chemical Shifts: 1 set	1H, 13C, and 15N Chemical Shift Assignments for G88W110 fragment of Staphylococcal Nuclease	Folding stability and cooperativity of the three forms of 1-110 residues fragment of staphylococcal nuclease	Dongsheng Liu, Jinfeng Wang, Lu Shan, Tao Xie, Yingang Feng
4900	2001-08-08	Chemical Shifts: 1 set	1H and 15N chemical shift assignments of the C-terminal xylan binding module of C. fimi xylanase 11A	Evidence for Synergy Between Family 2b Carbohydrate Binding Modules in Cellulomonas fimi xylanase 11A	David N Bolam, Harry J Gilbert, Hefang Xie, Michael P Williamson, Peter J Simpson, Peter White, Susan M Hancock
4647	2010-07-16	Chemical Shifts: 3 sets	HPRT Gene Mutation Hotspot with a BPDE2(10R) Adduct	NMR Evidence for Syn-Anti Interconversion of a Trans Opened (10R)-dA Adduct of Benzo[a]pyrene (7S,8R)-Diol (9R,10S)-Epoxide in a DNA Duplex	B A Luxon, C Liange, D E Volk, D G Gorenstein, D M Jerina, G Xie, H JC Yeh, J M Sayer, J S Rice
4623	2001-02-15	Chemical Shifts: 1 set	Internal xylan binding domain from C. fimi Xyn10A, R262G mutant	The Structural Basis for the Ligand Specificity of Family 2 Carbohydrate-binding Modules	D N Bolam, H J Gilbert, H Xie, M P Williamson, P J Simpson
4403	2001-02-15	Chemical Shifts: 1 set	1H, 13C and 15N Resonance Assignment and Secondary Structure of the J Domain of Murine Polyomavirus T Antigens	NMR Structure of the N-terminal J Domain of Murine Polyomavirus T Antigens: Implications for DnaJ-like Domains and for Mutations of T Antigens	Anyong Xie, Mark V Berjanskii, Michael I Riley, Steven R Van Doren, Valentyna Semenchenko, William R Folk
4240	2000-05-01	Chemical Shifts: 2 sets	Minor conformer of a benzo[a]pyrene diol epoxide adduct of DA in duplex DNA	Solution structure of the minor conformer of a DNA duplex containing a DG mismatch opposite a benzo[a]pyrene diol epoxide/DA adduct: glycosidic rotation from syn to anti at the modified deoxyadenosine	B A Luxon, D G Gorenstein, D M Jerina, G Xie, H JC Yeh, J M Sayer, J S Rice, J S Schwartz, X Liu