5DPA
 
 | | Crystal Structure of EV71 3C Proteinase in complex with compound 6 | | Descriptor: | 3C proteinase, ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | | Deposit date: | 2015-09-12 | | Release date: | 2016-03-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
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5DP5
 | | Crystal Structure of EV71 3C Proteinase in complex with compound 4 | | Descriptor: | 3C proteinase, ethyl (2Z,4S)-4-{[(2R,5S)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | | Deposit date: | 2015-09-12 | | Release date: | 2016-03-30 | | Last modified: | 2016-04-06 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
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5DP7
 | | Crystal Structure of EV71 3C Proteinase in complex with compound 5 | | Descriptor: | 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-methylbutanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | | Deposit date: | 2015-09-12 | | Release date: | 2016-03-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
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4HK4
 | | Crystal structure of apo Tyrosine-tRNA ligase mutant protein | | Descriptor: | DI(HYDROXYETHYL)ETHER, Tyrosine--tRNA ligase | | Authors: | Yu, Y, Zhou, Q, Dong, J, Li, J, Xiaoxuan, L, Mukherjee, A, Ouyang, H, Nilges, M, Li, H, Gao, F, Gong, W, Lu, Y, Wang, J. | | Deposit date: | 2012-10-15 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.298 Å) | | Cite: | Crystal structure of apo Tyrosine-tRNA ligase mutant protein
To be Published
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5DP3
 | | Crystal Structure of EV71 3C Proteinase in complex with compound 2 | | Descriptor: | 3C proteinase, ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate | | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | | Deposit date: | 2015-09-12 | | Release date: | 2016-03-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
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4HPW
 | | Crystal structure of Tyrosine-tRNA ligase mutant complexed with unnatural amino acid 3-o-methyl-Tyrosine | | Descriptor: | 3-methoxy-L-tyrosine, Tyrosine--tRNA ligase | | Authors: | Yu, Y, Zhou, Q, Dong, J, Li, J, Xiaoxuan, L, Mukherjee, A, Ouyang, H, Nilges, M, Li, H, Gao, F, Gong, W, Lu, Y, Wang, J. | | Deposit date: | 2012-10-24 | | Release date: | 2013-10-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Crystal structure of Tyrosine-tRNA ligase mutant complexed with unnatural amino acid 3-o-methyl-Tyrosine
To be Published
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6AEI
 | | Cryo-EM structure of the receptor-activated TRPC5 ion channel | | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ... | | Authors: | Duan, J, Li, Z, Li, J, Zhang, J. | | Deposit date: | 2018-08-05 | | Release date: | 2019-08-07 | | Last modified: | 2019-08-14 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Cryo-EM structure of TRPC5 at 2.8- angstrom resolution reveals unique and conserved structural elements essential for channel function.
Sci Adv, 5, 2019
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5JI8
 | | Crystal structure of the BRD9 bromodomain and hit 1 | | Descriptor: | 2-amino-1,3-benzothiazole-6-carboxamide, Bromodomain-containing protein 9 | | Authors: | Wang, N, Li, F, Bao, H, Li, J, Wu, J, Ruan, K. | | Deposit date: | 2016-04-22 | | Release date: | 2016-06-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | NMR Fragment Screening Hit Induces Plasticity of BRD7/9 Bromodomains
Chembiochem, 17, 2016
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2K2G
 | | Solution structure of the wild-type catalytic domain of human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor | | Descriptor: | Macrophage metalloelastase, N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine, ZINC ION | | Authors: | Markus, M.A, Dwyer, B, Wolfrom, S, Li, J, Li, W, Malakian, K, Wilhelm, J, Tsao, D.H.H. | | Deposit date: | 2008-04-01 | | Release date: | 2008-05-20 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of wild-type human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor.
J.Biomol.Nmr, 41, 2008
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1W7L
 | | Crystal structure of human kynurenine aminotransferase I | | Descriptor: | KYNURENINE--OXOGLUTARATE TRANSAMINASE I, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Rossi, F, Han, Q, Li, J, Li, J, Rizzi, M. | | Deposit date: | 2004-09-06 | | Release date: | 2004-09-08 | | Last modified: | 2015-12-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Human Kynurenine Aminotransferase I
J.Biol.Chem., 279, 2004
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3DEH
 | | Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors | | Descriptor: | Caspase-3, isoquinoline-1,3,4(2H)-trione | | Authors: | Wu, J, Du, J, Li, J, Ding, J. | | Deposit date: | 2008-06-10 | | Release date: | 2008-09-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
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4HJX
 | | Crystal structure of F2YRS complexed with F2Y | | Descriptor: | 3,5-difluoro-L-tyrosine, Tyrosine-tRNA ligase | | Authors: | Wang, J, Tian, C, Gong, W, Li, F, Shi, P, Li, J, Ding, W. | | Deposit date: | 2012-10-14 | | Release date: | 2013-03-13 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | A genetically encoded 19F NMR probe for tyrosine phosphorylation.
Angew.Chem.Int.Ed.Engl., 52, 2013
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6PET
 | | Crystal structure of 8-hydroxychromene compound 30 bound to estrogen receptor alpha | | Descriptor: | (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, CHLORIDE ION, ... | | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Wang, X, Zbieg, J, Labadie, S.S, Zhang, B, Li, J, Liang, W. | | Deposit date: | 2019-06-20 | | Release date: | 2019-07-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.
Bioorg.Med.Chem.Lett., 29, 2019
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4Y07
 | | Crystal structure of the HECT domain of human WWP2 | | Descriptor: | NEDD4-like E3 ubiquitin-protein ligase WWP2 | | Authors: | Gong, W, Li, J, Li, Z, Xu, Y. | | Deposit date: | 2015-02-05 | | Release date: | 2015-11-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.507 Å) | | Cite: | Structure of the HECT domain of human WWP2
Acta Crystallogr.,Sect.F, 71, 2015
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4Z8U
 | | CRYSTAL STRUCTURE OF AvrRxo1-ORF1:-ORF2 WITH ATP | | Descriptor: | ACETATE ION, AvrRxo1-ORF1, AvrRxo1-ORF2, ... | | Authors: | Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B. | | Deposit date: | 2015-04-09 | | Release date: | 2015-09-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2.
Structure, 23, 2015
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4Z8Q
 | | CRYSTAL STRUCTURE OF AvrRxo1-ORF1:AvrRxo1-ORF2 COMPLEX, SELENOMETHIONINE SUBSTITUTED. | | Descriptor: | AvrRxo1-ORF1, AvrRxo1-ORF2, PHOSPHATE ION | | Authors: | Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B. | | Deposit date: | 2015-04-09 | | Release date: | 2015-09-23 | | Last modified: | 2022-03-16 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2.
Structure, 23, 2015
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4Z8T
 | | CRYSTAL STRUCTURE OF AvrRxo1-ORF1:AvrRxo1-ORF2 WITH SULPHATE IONS | | Descriptor: | ACETATE ION, AvrRxo1-ORF1, AvrRxo1-ORF2, ... | | Authors: | Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B. | | Deposit date: | 2015-04-09 | | Release date: | 2015-09-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2.
Structure, 23, 2015
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4Z8V
 | | CRYSTAL STRUCTURE OF AVRRXO1-ORF1:-ORF2 COMPLEX, NATIVE. | | Descriptor: | AvrRxo1-ORF1, AvrRxo1-ORF2, PHOSPHATE ION | | Authors: | Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B. | | Deposit date: | 2015-04-09 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2.
Structure, 23, 2015
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3DEI
 | | Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors | | Descriptor: | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate, Caspase-3 | | Authors: | Wu, J, Du, J, Li, J, Ding, J. | | Deposit date: | 2008-06-10 | | Release date: | 2008-09-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
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3J9B
 | | Electron cryo-microscopy of an RNA polymerase | | Descriptor: | Polymerase, Polymerase basic protein 2, RNA (5'-R(*UP*UP*UP*UP*UP*A)-3'), ... | | Authors: | Chang, S.H, Sun, D.P, Liang, H.H, Wang, J, Li, J, Guo, L, Wang, X.L, Guan, C.C, Boruah, B.M, Yuan, L.M, Feng, F, Yang, M.R, Wojdyla, J, Wang, J.W, Wang, M.T, Wang, H.W, Liu, Y.F. | | Deposit date: | 2014-12-16 | | Release date: | 2015-02-18 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Cryo-EM Structure of Influenza Virus RNA Polymerase Complex at 4.3 angstrom Resolution.
Mol.Cell, 2015
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3DEJ
 | | Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors | | Descriptor: | (1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate, Caspase-3 | | Authors: | Wu, J, Du, J, Li, J, Ding, J. | | Deposit date: | 2008-06-10 | | Release date: | 2008-09-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
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3DEK
 | | Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors | | Descriptor: | Caspase-3, N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide | | Authors: | Wu, J, Du, J, Li, J, Ding, J. | | Deposit date: | 2008-06-10 | | Release date: | 2008-09-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
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6PFM
 | | Crystal structure of GDC-0927 bound to estrogen receptor alpha | | Descriptor: | (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor | | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Zbieg, J.R, Labadie, S.S, Li, J, Ray, N.C, Ortwine, D. | | Deposit date: | 2019-06-21 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.
Bioorg.Med.Chem.Lett., 29, 2019
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8JR9
 | | Small molecule agonist (PCO371) bound to human parathyroid hormone receptor type 1 (PTH1R) | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha-1, ... | | Authors: | Zhao, L, He, Q, Yuan, Q, Gu, Y, He, X, Shan, H, Li, J, Wang, K, Li, Y, Hu, W, Wu, K, Shen, J, Xu, H.E. | | Deposit date: | 2023-06-16 | | Release date: | 2023-08-02 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (2.57 Å) | | Cite: | Conserved class B GPCR activation by a biased intracellular agonist.
Nature, 621, 2023
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7MU8
 | | Structure of the minimally glycosylated human CEACAM1 N-terminal domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carcinoembryonic antigen-related cell adhesion molecule 1, GLYCEROL, ... | | Authors: | Belcher Dufrisne, M, Swope, N, Kieber, M, Yang, J.Y, Han, J, Li, J, Moremen, K.W, Prestegard, J.H, Columbus, L. | | Deposit date: | 2021-05-14 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Human CEACAM1 N-domain dimerization is independent from glycan modifications.
Structure, 30, 2022
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