5YQM
 
 | | Crystal structure of Sirt2 in complex with selective inhibitor A29 | | Descriptor: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Wang, H, Yu, Y, Li, G, chen, Q. | | Deposit date: | 2017-11-07 | | Release date: | 2018-10-17 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.735 Å) | | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
|
|
5YQL
 | | Crystal structure of Sirt2 in complex with selective inhibitor A2I | | Descriptor: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Wang, H, Yu, Y, Li, G, Chen, Q. | | Deposit date: | 2017-11-07 | | Release date: | 2018-10-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
|
|
5F5M
 | | Crystal structure of Marburg virus nucleoprotein core domain | | Descriptor: | Nucleoprotein | | Authors: | Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J. | | Deposit date: | 2015-12-04 | | Release date: | 2017-05-31 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus
J. Virol., 91, 2017
|
|
5F5O
 | | Crystal structure of Marburg virus nucleoprotein core domain bound to VP35 regulation peptide | | Descriptor: | Nucleoprotein, Peptide from Polymerase cofactor VP35, SULFATE ION | | Authors: | Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J. | | Deposit date: | 2015-12-04 | | Release date: | 2017-05-31 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus
J. Virol., 91, 2017
|
|
6J8R
 | | Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01 | | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ... | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-01-21 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.575 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
|
|
6J8Q
 | | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001 | | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-01-21 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.787 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
|
|
6JN4
 | | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001 | | Descriptor: | ACETATE ION, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-03-13 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
|
|
6JN5
 | | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23 | | Descriptor: | Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-03-13 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
|
|
6JN3
 | | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05 | | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ... | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-03-13 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.216 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
|
|
6JN6
 | | Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19 | | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ... | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-03-13 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
|
|
7DYY
 | |
7DYZ
 | |
7DZ1
 | |
7DZ0
 | |
6BR1
 | | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4a | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine, CALCIUM ION, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2017-11-29 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
|
|
7DUY
 | | Crystal structure of VIM-2 MBL in complex with 1-(2-(1H-1,2,3-triazol-1-yl)ethyl)-1H-imidazole-2-carboxylic acid | | Descriptor: | 1-[2-(1,2,3-triazol-1-yl)ethyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION | | Authors: | Li, G.-B, Yan, Y.-H. | | Deposit date: | 2021-01-12 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
|
|
7DV0
 | |
7DUX
 | |
7DV1
 | |
7DUZ
 | |
7DU1
 | |
7DUE
 | |
7DUB
 | |
6BS2
 | | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 8b | | Descriptor: | 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2017-12-01 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
|
|
6BRF
 | | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4b | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine, CALCIUM ION, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2017-11-30 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
|
|
