3V8T
 
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3VF8
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5Y93
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | | Deposit date: | 2017-08-22 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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3V8W
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5Y8W
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | | Deposit date: | 2017-08-21 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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5Y94
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide, Bromodomain-containing protein 4, GLYCEROL, ... | | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | | Deposit date: | 2017-08-22 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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3NR9
 | | Structure of human CDC2-like kinase 2 (CLK2) | | Descriptor: | (5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Dual specificity protein kinase CLK2 | | Authors: | Chaikuad, A, Savitsky, P, Krojer, T, Muniz, J.R.C, Filippakopoulos, P, Rellos, P, Keates, T, Fedorov, O, Pike, A.C.W, Eswaran, J, Berridge, G, Phillips, C, Zhang, Y, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-06-30 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structure of human CDC2-like kinase 2 (CLK2)
To be Published
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5Y8Z
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | | Deposit date: | 2017-08-22 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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5Y8C
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | | Deposit date: | 2017-08-21 | | Release date: | 2018-06-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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5YMR
 | | The Crystal Structure of IseG | | Descriptor: | 2-hydroxyethylsulfonic acid, Formate acetyltransferase, GLYCEROL | | Authors: | Lin, L, Zhang, J, Xing, M, Hua, G, Guo, C, Hu, Y, Wei, Y, Ang, E, Zhao, H, Zhang, Y, Yuchi, Z. | | Deposit date: | 2017-10-22 | | Release date: | 2019-03-20 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Radical-mediated C-S bond cleavage in C2 sulfonate degradation by anaerobic bacteria.
Nat Commun, 10, 2019
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4N4R
 | | Structure basis of lipopolysaccharide biogenesis | | Descriptor: | CACODYLATE ION, LPS-assembly lipoprotein LptE, LPS-assembly protein LptD, ... | | Authors: | Dong, H, Xiang, Q, Wang, Z, Paterson, N.G, He, C, Zhang, Y, Wang, W, Dong, C. | | Deposit date: | 2013-10-08 | | Release date: | 2014-06-25 | | Last modified: | 2014-07-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for outer membrane lipopolysaccharide insertion.
Nature, 511, 2014
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5JRH
 | | Crystal structure of Salmonella enterica acetyl-CoA synthetase (Acs) in complex with cAMP and Coenzyme A | | Descriptor: | (R,R)-2,3-BUTANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Acetyl-coenzyme A synthetase, ... | | Authors: | Shen, L, Zhang, Y. | | Deposit date: | 2016-05-06 | | Release date: | 2016-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.644 Å) | | Cite: | Cyclic AMP Inhibits the Activity and Promotes the Acetylation of Acetyl-CoA Synthetase through Competitive Binding to the ATP/AMP Pocket.
J. Biol. Chem., 292, 2017
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7YL2
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004 | | Descriptor: | Bromodomain-containing protein 4, GLYCEROL, N-(1-ethyl-2-oxidanylidene-3H-indol-5-yl)cyclohexanesulfonamide, ... | | Authors: | Huang, Y, Wei, A, Dong, R, Xu, H, Zhang, C, Chen, Z, Li, J, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-07-25 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004
To Be Published
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3UV3
 | | Ec_IspH in complex with but-2-ynyl diphosphate (1086) | | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, but-2-yn-1-yl trihydrogen diphosphate | | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | | Deposit date: | 2011-11-29 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
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3URK
 | | IspH in complex with propynyl diphosphate (1061) | | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, prop-2-yn-1-yl trihydrogen diphosphate | | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | | Deposit date: | 2011-11-22 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
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3UTC
 | | Ec_IspH in complex with (E)-4-hydroxybut-3-enyl diphosphate | | Descriptor: | (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Li, K, Schulz, C, Oldfield, E, Groll, M. | | Deposit date: | 2011-11-25 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
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5KPX
 | | Structure of RelA bound to ribosome in presence of A/R tRNA (Structure IV) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loveland, A.B, Bah, E, Madireddy, R, Zhang, Y, Brilot, A.F, Grigorieff, N, Korostelev, A.A. | | Deposit date: | 2016-07-05 | | Release date: | 2016-09-28 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Ribosome•RelA structures reveal the mechanism of stringent response activation.
Elife, 5, 2016
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3UV6
 | | Ec_IspH in complex with 4-hydroxybutyl diphosphate (1301) | | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-hydroxybutyl trihydrogen diphosphate, IRON/SULFUR CLUSTER | | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | | Deposit date: | 2011-11-29 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
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3UWM
 | | Ec_IspH in complex with 4-oxobutyl diphosphate (1302) | | Descriptor: | (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxobutyl trihydrogen diphosphate, ... | | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | | Deposit date: | 2011-12-02 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
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3V5L
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5KPV
 | | Structure of RelA bound to ribosome in presence of A/R tRNA (Structure II) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loveland, A.B, Bah, E, Madireddy, R, Zhang, Y, Brilot, A.F, Grigorieff, N, Korostelev, A.A. | | Deposit date: | 2016-07-05 | | Release date: | 2016-09-28 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Ribosome•RelA structures reveal the mechanism of stringent response activation.
Elife, 5, 2016
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3NPR
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from S. aureus complexed with Presqualene diphosphate (PSPP) | | Descriptor: | Dehydrosqualene synthase, MAGNESIUM ION, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | | Authors: | Lin, F.-Y, Liu, C.-I, Liu, Y.-L, Wang, K, Zhang, Y, Oldfield, E. | | Deposit date: | 2010-06-28 | | Release date: | 2010-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3NRI
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from S. aureus complexed with dehydrosqualene (DHS) | | Descriptor: | (6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene, Dehydrosqualene synthase | | Authors: | Lin, F.-Y, Liu, C.-I, Liu, Y.-L, Wang, K, Zhang, Y, Oldfield, E. | | Deposit date: | 2010-06-30 | | Release date: | 2010-12-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
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5X5B
 | | Prefusion structure of SARS-CoV spike glycoprotein, conformation 2 | | Descriptor: | Spike glycoprotein | | Authors: | Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F. | | Deposit date: | 2017-02-15 | | Release date: | 2017-05-03 | | Last modified: | 2017-05-24 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains
Nat Commun, 8, 2017
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5X59
 | | Prefusion structure of MERS-CoV spike glycoprotein, three-fold symmetry | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S protein | | Authors: | Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F. | | Deposit date: | 2017-02-15 | | Release date: | 2017-05-03 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains
Nat Commun, 8, 2017
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