6UWR
 
 | |
6UWO
 | |
6V52
 | | IDO1 IN COMPLEX WITH COMPOUND 1 | | 分子名称: | 3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide, Indoleamine 2,3-dioxygenase 1 | | 著者 | Lesburg, C.A, Koenig, K.V, Augustin, M.A. | | 登録日 | 2019-12-03 | | 公開日 | 2020-04-08 | | 最終更新日 | 2020-04-29 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase-1 (IDO1).
Acs Med.Chem.Lett., 11, 2020
|
|
4FMU
 | | Crystal structure of Methyltransferase domain of human SET domain-containing protein 2 Compound: Pr-SNF | | 分子名称: | (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid, Histone-lysine N-methyltransferase SETD2, UNKNOWN ATOM OR ION, ... | | 著者 | Dong, A, Zeng, H, Ibanez, G, Zheng, W, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC) | | 登録日 | 2012-06-18 | | 公開日 | 2012-09-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012
|
|
5I9M
 | | Crystal structure of B. pseudomallei FabI in complex with NAD and PT408 | | 分子名称: | 5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | | 登録日 | 2016-02-20 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
|
|
6WJY
 | | HUMAN IDO1 IN COMPLEX WITH COMPOUND 4-A | | 分子名称: | 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide, Indoleamine 2,3-dioxygenase 1 | | 著者 | Lesburg, C.A, Lammens, A, Neumann, L. | | 登録日 | 2020-04-14 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors.
Acs Med.Chem.Lett., 11, 2020
|
|
6WPE
 | | HUMAN IDO1 IN COMPLEX WITH COMPOUND 4 | | 分子名称: | 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide, Indoleamine 2,3-dioxygenase 1 | | 著者 | Lesburg, C.A, Lammens, A. | | 登録日 | 2020-04-27 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Carbamate and N -Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
|
|
6XEB
 | |
6XEC
 | | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND O) | | 分子名称: | (1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Klein, D.J, Clausen, D. | | 登録日 | 2020-06-12 | | 公開日 | 2020-08-12 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | | 主引用文献 | Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir.
Bioorg.Med.Chem.Lett., 30, 2020
|
|
6BOZ
 | | Structure of human SETD8 in complex with covalent inhibitor MS4138 | | 分子名称: | 1,2-ETHANEDIOL, N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide, N-lysine methyltransferase KMT5A | | 著者 | Babault, N, Anqi, M, Jin, J. | | 登録日 | 2017-11-21 | | 公開日 | 2019-05-01 | | 最終更新日 | 2019-12-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
|
|
6C3L
 | | Crystal structure of BCL6 BTB domain with compound 15f | | 分子名称: | B-cell lymphoma 6 protein, N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea | | 著者 | Linhares, B, Cheng, H, Cierpicki, T, Xue, F. | | 登録日 | 2018-01-10 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.46092153 Å) | | 主引用文献 | Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
|
|
6C3N
 | | Crystal structure of BCL6 BTB domain in complex with compound 7CC5 | | 分子名称: | B-cell lymphoma 6 protein, N-(2-phenylethyl)-N'-pyridin-3-ylthiourea | | 著者 | Linhares, B, Cheng, H, Xue, F, Cierpicki, T. | | 登録日 | 2018-01-10 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.53170586 Å) | | 主引用文献 | Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
|
|
6CQ1
 | | BCL6 BTB domain in complex with 15a | | 分子名称: | 2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide, B-cell lymphoma 6 protein | | 著者 | Linhares, B.M, Cheng, H, Xue, F, Cierpicki, T. | | 登録日 | 2018-03-14 | | 公開日 | 2019-03-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.69921041 Å) | | 主引用文献 | Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
|
|
6DCV
 | |
6DCW
 | |
6PZD
 | |
6PZW
 | | CryoEM derived model of NA-22 Fab in complex with N9 Shanghai2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NA-22 fragment antigen binding heavy chain, ... | | 著者 | Ward, A.B, Turner, H.L, Zhu, X. | | 登録日 | 2019-08-01 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-04-05 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
|
|
6Q1Z
 | |
6PZE
 | |
6PZF
 | |
6PZZ
 | | CryoEM derived model of NA-80 Fab in complex with N9 Shanghai2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NA-80 fragment antibody heavy chain, ... | | 著者 | Ward, A.B, Turner, H.L, Zhu, X. | | 登録日 | 2019-08-01 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-04-05 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
|
|
6PZG
 | | Crystal structure of human NA-80 Fab | | 分子名称: | NA-80 Fab heavy chain, NA-80 Fab light chain | | 著者 | Zhu, X, Wilson, I.A. | | 登録日 | 2019-07-31 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
|
|
6Q23
 | |
6PZH
 | | Crystal structure of human NA-22 Fab | | 分子名称: | NA-22 Fab heavy chain, NA-22 Fab light chain | | 著者 | Zhu, X, Wilson, I.A. | | 登録日 | 2019-07-31 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
|
|
6Q20
 | |
