4YFF
| TNNI3K complexed with inhibitor 2 | 分子名称: | 3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K | 著者 | Shewchuk, L.M, Wang, L, Lawhorn, B.G. | 登録日 | 2015-02-25 | 公開日 | 2015-09-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.07 Å) | 主引用文献 | Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K). J.Med.Chem., 58, 2015
|
|
4YHT
| bRaf complexed with an inhibitor | 分子名称: | 3-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide, GLYCEROL, Serine/threonine-protein kinase B-raf | 著者 | Shewchuk, L.M, Lawhorn, B.G. | 登録日 | 2015-02-27 | 公開日 | 2016-03-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | GSK114: A selective inhibitor for elucidating the biological role of TNNI3K. Bioorg.Med.Chem.Lett., 26, 2016
|
|
4YFI
| TNNI3K complexed with inhibitor 1 | 分子名称: | N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K | 著者 | Shewchuk, L.M, Wang, L, Lawhorn, B.G. | 登録日 | 2015-02-25 | 公開日 | 2015-09-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K). J.Med.Chem., 58, 2015
|
|
5VPM
| |
5VRP
| |
5V8V
| Crystal Structure of Human Renin in Complex with a biphenylpipderidinylcarbinol | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, methyl [(4S)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3R)-1-[4-(methylamino)butanoyl]piperidin-3-yl}butyl]carbamate | 著者 | Concha, N, Zhao, B. | 登録日 | 2017-03-22 | 公開日 | 2017-10-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of renin inhibitors containing a simple aspartate binding moiety that imparts reduced P450 inhibition. Bioorg. Med. Chem. Lett., 27, 2017
|
|
6B5J
| TNNI3K complexed with a 4,6-diaminopyrimidine | 分子名称: | N-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide, Serine/threonine-protein kinase TNNI3K | 著者 | Shewchuk, L.M, Philp, J. | 登録日 | 2017-09-29 | 公開日 | 2018-04-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | 主引用文献 | 4,6-Diaminopyrimidines as Highly Preferred Troponin I-Interacting Kinase (TNNI3K) Inhibitors. J. Med. Chem., 61, 2018
|
|
6BTP
| BMP1 complexed with a hydroxamate | 分子名称: | (1R,3S,4S)-2-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl}-N-(3-methoxypyrazin-2-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide, Bone morphogenetic protein 1, THIOCYANATE ION, ... | 著者 | Gampe, R, Shewchuk, L. | 登録日 | 2017-12-07 | 公開日 | 2018-08-08 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Med Chem Lett, 9, 2018
|
|
6BSL
| BMP1 complexed with a reverse hydroxymate - compound 22 | 分子名称: | 1,2-ETHANEDIOL, Bone morphogenetic protein 1, N-(2-ethoxy-4-{5-[({[(2R)-2-{(1R)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-L-aspartic acid, ... | 著者 | Gampe, R, Shewchuk, L. | 登録日 | 2017-12-04 | 公開日 | 2018-08-08 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Med Chem Lett, 9, 2018
|
|
6BTQ
| BMP1 complexed with a hydroxamate - compound 2 | 分子名称: | 1,2-ETHANEDIOL, Bone morphogenetic protein 1, N~2~-[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-3-thiophen-2-yl-D-alaninamide, ... | 著者 | Gampe, R, Shewchuk, L. | 登録日 | 2017-12-07 | 公開日 | 2018-08-08 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Med Chem Lett, 9, 2018
|
|
6BSM
| BMP1 complexed with a reverse hydroxamate - compound 4 | 分子名称: | Bone morphogenetic protein 1, N-({[(2R)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide, ZINC ION | 著者 | Gampe, R, Shewchuk, L. | 登録日 | 2017-12-04 | 公開日 | 2018-08-08 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Med Chem Lett, 9, 2018
|
|
6BTO
| BMP1 complexed with (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid | 分子名称: | (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid, 1,2-ETHANEDIOL, Bone morphogenetic protein 1, ... | 著者 | Gampe, R, Shewchuk, L. | 登録日 | 2017-12-07 | 公開日 | 2018-08-08 | 最終更新日 | 2019-04-24 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Med Chem Lett, 9, 2018
|
|
6BTN
| BMP1 complexed with a reverse hydroxymate - compound 1 | 分子名称: | (3S)-6-cyclohexyl-3-{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyhexanamide, 1,2-ETHANEDIOL, Bone morphogenetic protein 1, ... | 著者 | Gampe, R, Shewchuk, L. | 登録日 | 2017-12-07 | 公開日 | 2018-08-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Med Chem Lett, 9, 2018
|
|