5H1M
 
 | | Crystal structure of WD40 repeat domains of Gemin5 in complex with M7G | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Gem-associated protein 5 | | Authors: | Jin, W, Wang, Y, Liu, C.P, Yang, N, Jin, M, Cong, Y, Wang, M, Xu, R.M. | | Deposit date: | 2016-10-10 | | Release date: | 2016-11-23 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.492 Å) | | Cite: | Structural basis for snRNA recognition by the double-WD40 repeat domain of Gemin5
Genes Dev., 30, 2016
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1MS6
 | | Dipeptide Nitrile Inhibitor Bound to Cathepsin S. | | Descriptor: | Cathepsin S, MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE | | Authors: | Ward, Y.D, Thomson, D.S, Frye, L.L, Cywin, C.L, Morwick, T, Emmanuel, M.J, Zindell, R, McNeil, D, Bekkali, Y, Giradot, M, Hrapchak, M, DeTuri, M, Crane, K, White, D, Pav, S, Wang, Y, Hao, M.H, Grygon, C.A, Labadia, M.E, Freeman, D.M, Davidson, W, Hopkins, J.L, Brown, M.L, Spero, D.M. | | Deposit date: | 2002-09-19 | | Release date: | 2003-04-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors
J.Med.Chem., 45, 2002
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6P7H
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6P8D
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6PEF
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6PEC
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5GNF
 | | Crystal structure of anti-CRISPR protein AcrF3 | | Descriptor: | CALCIUM ION, Uncharacterized protein AcrF3 | | Authors: | Wang, J, Wang, Y. | | Deposit date: | 2016-07-20 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A CRISPR evolutionary arms race: structural insights into viral anti-CRISPR/Cas responses
Cell Res., 26, 2016
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6PC4
 | | Tubulin-RB3_SLD-TTL in complex with compound ABI-274 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2019-06-15 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Structure-Activity Relationship Study of Novel 6-Aryl-2-benzoyl-pyridines as Tubulin Polymerization Inhibitors with Potent Antiproliferative Properties.
J.Med.Chem., 63, 2020
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6PDS
 | | Vaccine-elicited NHP FP-targeting antibody 0PV-a.04 in complex with HIV fusion peptide (residue 512-519) | | Descriptor: | HIV-1 fusion peptide residue 512-519, SULFATE ION, antibody 0PV-a.04 heavy chain, ... | | Authors: | Xu, K, Liu, K, Wang, Y, Kwong, P.D. | | Deposit date: | 2019-06-19 | | Release date: | 2020-06-24 | | Method: | X-RAY DIFFRACTION (1.893 Å) | | Cite: | Modular recognition of antigens provides a mechanism that improves vaccine-elicited antibody-class frequencies
To Be Published
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5GQH
 | | Cryo-EM structure of PaeCas3-AcrF3 complex | | Descriptor: | CRISPR-associated nuclease/helicase Cas3 subtype I-F/YPEST, anti-CRISPR protein 3 | | Authors: | Zhang, X, Ma, J, Wang, Y, Wang, J. | | Deposit date: | 2016-08-07 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | A CRISPR evolutionary arms race: structural insights into viral anti-CRISPR/Cas responses
Cell Res., 26, 2016
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7XMK
 | | Crystal structure of human RIPK1 kinase domain in complex with compound SKLB923 | | Descriptor: | 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Zhang, L, Wang, Y, Li, Y, Yang, S. | | Deposit date: | 2022-04-26 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.376 Å) | | Cite: | From Hit to Lead: Structure-Based Optimization of Novel Selective Inhibitors of Receptor-Interacting Protein Kinase 1 (RIPK1) for the Treatment of Inflammatory Diseases.
J.Med.Chem., 67, 2024
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3GO6
 | | Crystal Structure of M. tuberculosis ribokinase (Rv2436) in complex with ribose and AMP-PNP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RIBOKINASE RBSK, ... | | Authors: | Masters, E.I, Sun, Y, Wang, Y, Parker, W.B, Li, R. | | Deposit date: | 2009-03-18 | | Release date: | 2010-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal structure and biochemical characterization of M.tuberculosis ribokinase (Rv2436)
To be Published
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6PDR
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3HHS
 | | Crystal Structure of Manduca sexta prophenoloxidase | | Descriptor: | COPPER (II) ION, Phenoloxidase subunit 1, Phenoloxidase subunit 2 | | Authors: | Li, Y, Wang, Y, Jiang, H, Deng, J. | | Deposit date: | 2009-05-17 | | Release date: | 2009-09-29 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal structure of Manduca sexta prophenoloxidase provides insights into the mechanism of type 3 copper enzymes.
Proc.Natl.Acad.Sci.USA, 106, 2009
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6PDU
 | | Vaccine-elicited NHP FP-targeting antibody 13N024-a.01 in complex with HIV fusion peptide (residue 512-519) | | Descriptor: | HIV-1 fusion peptide residue 512-519, antibody 13N024-a.01, heavy chain, ... | | Authors: | Xu, K, Liu, K, Wang, Y, Kwong, P.D. | | Deposit date: | 2019-06-19 | | Release date: | 2020-06-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.953 Å) | | Cite: | Modular recognition of antigens provides a mechanism that improves vaccine-elicited antibody-class frequencies
To Be Published
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5KJS
 | | Crystal Structure of Arabidopsis thaliana HCT | | Descriptor: | Shikimate O-hydroxycinnamoyltransferase | | Authors: | Levsh, O, Chiang, Y.C, Tung, C, Noel, J.P, Wang, Y, Weng, J.K. | | Deposit date: | 2016-06-20 | | Release date: | 2016-11-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase.
Biochemistry, 55, 2016
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5KJV
 | | Crystal structure of Coleus blumei HCT | | Descriptor: | Hydroxycinnamoyl transferase | | Authors: | Levsh, O, Chiang, Y.C, Tung, C.F, Noel, J.P, Wang, Y, Weng, J.K. | | Deposit date: | 2016-06-20 | | Release date: | 2016-11-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase.
Biochemistry, 55, 2016
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6QGK
 | | Structure of human Bcl-2 in complex with THIQ-phenyl pyrazole compound | | Descriptor: | 1-[2-[[(3~{S})-3-(aminomethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]phenyl]-~{N},~{N}-dibutyl-5-methyl-pyrazole-3-carboxamide, ACETATE ION, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-11 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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6QGD
 | | Structure of human Mcl-1 in complex with thienopyrimidine inhibitor | | Descriptor: | 2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-11 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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6QGG
 | | Structure of human Bcl-2 in complex with analogue of ABT-737 | | Descriptor: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-11 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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5KJT
 | | Crystal structure of Arabidopsis thaliana HCT in complex with p-coumaroyl-CoA | | Descriptor: | Shikimate O-hydroxycinnamoyltransferase, p-coumaroyl-CoA | | Authors: | Levsh, O, Chiang, Y.C, Tung, C.F, Noel, J.P, Wang, Y, Weng, J.K. | | Deposit date: | 2016-06-20 | | Release date: | 2016-11-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase.
Biochemistry, 55, 2016
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5KJW
 | | Crystal structure of Coleus blumei HCT in complex with 3-hydroxyacetophenone | | Descriptor: | 1-(3-hydroxyphenyl)ethanone, Hydroxycinnamoyl transferase | | Authors: | Levsh, O, Chiang, Y.C, Tung, C.F, Noel, J.P, Wang, Y, Weng, J.K. | | Deposit date: | 2016-06-20 | | Release date: | 2016-11-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase.
Biochemistry, 55, 2016
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5KJU
 | | Crystal structure of Arabidopsis thaliana HCT in complex with p-coumaroylshikimate | | Descriptor: | (3~{R},4~{S},5~{R})-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid, Shikimate O-hydroxycinnamoyltransferase | | Authors: | Levsh, O, Chiang, Y.C, Tung, C.F, Noel, J.P, Wang, Y, Weng, J.K. | | Deposit date: | 2016-06-20 | | Release date: | 2016-11-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase.
Biochemistry, 55, 2016
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6QFI
 | | Structure of human Mcl-1 in complex with BIM BH3 peptide | | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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6QFQ
 | | Structure of human Mcl-1 in complex with indole acid inhibitor | | Descriptor: | 7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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