4FEQ
| Inhibitor bound structure of the kinase domain of the murine receptor tyrosine kinase TYRO3 (Sky) | 分子名称: | 4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{[2-(pyridin-4-yl)ethyl]amino}pyrimidine-5-carboxamide, Tyrosine-protein kinase receptor TYRO3 | 著者 | Ohren, J.F, Powell, N.A, Kohrt, J.T, Perrin, L.A. | 登録日 | 2012-05-30 | 公開日 | 2013-03-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg.Med.Chem.Lett., 23, 2013
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4FF8
| Inhibitor bound structure of the kinase domain of the murine receptor tyrosine kinase TYRO3 (Sky) | 分子名称: | 4-(cyclopentylamino)-2-[(2-methoxybenzyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide, Tyrosine-protein kinase receptor TYRO3 | 著者 | Ohren, J.F, Powell, N.A, Kohrt, J, Perrin, L.A. | 登録日 | 2012-05-31 | 公開日 | 2013-03-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg.Med.Chem.Lett., 23, 2013
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2OW9
| Crystal structure analysis of the MMP13 catalytic domain in complex with specific inhibitor | 分子名称: | ACETOHYDROXAMIC ACID, BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE, CALCIUM ION, ... | 著者 | Pavlovsky, A.G. | 登録日 | 2007-02-15 | 公開日 | 2007-02-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Discovery and characterization of a novel inhibitor of matrix metalloprotease-13 that reduces cartilage damage in vivo without joint fibroplasia side effects. J.Biol.Chem., 282, 2007
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2Q8S
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5OTE
| MRCK beta in complex with BDP-00008900 | 分子名称: | 1,2-ETHANEDIOL, 2-[4-[(6~{S})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole, CHLORIDE ION, ... | 著者 | Schuettelkopf, A.W. | 登録日 | 2017-08-21 | 公開日 | 2018-02-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Discovery of Potent and Selective MRCK Inhibitors with Therapeutic Effect on Skin Cancer. Cancer Res., 78, 2018
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5OTF
| MRCK beta in complex with BDP-00009066 | 分子名称: | (6~{S})-8-(3-pyrimidin-4-yl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Schuettelkopf, A.W. | 登録日 | 2017-08-21 | 公開日 | 2018-02-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Potent and Selective MRCK Inhibitors with Therapeutic Effect on Skin Cancer. Cancer Res., 78, 2018
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3DNG
| Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor | 分子名称: | (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide, CALCIUM ION, Neutrophil collagenase, ... | 著者 | Pochetti, G, Montanari, R, Mazza, F. | 登録日 | 2008-07-02 | 公開日 | 2009-03-03 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8) J.Med.Chem., 52, 2009
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3DPE
| Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor | 分子名称: | CALCIUM ION, N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide, Neutrophil collagenase, ... | 著者 | Pochetti, G, Montanari, R, Mazza, F. | 登録日 | 2008-07-08 | 公開日 | 2009-03-03 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8) J.Med.Chem., 52, 2009
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3DPF
| Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor | 分子名称: | ACETOHYDROXAMIC ACID, CALCIUM ION, N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide, ... | 著者 | Pochetti, G, Montanari, R, Mazza, F. | 登録日 | 2008-07-08 | 公開日 | 2009-03-03 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8) J.Med.Chem., 52, 2009
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3DY7
| X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | 分子名称: | (5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | 著者 | Ohren, J.F, Pavlovsky, A, Zhang, E. | 登録日 | 2008-07-25 | 公開日 | 2009-06-16 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK? Bioorg.Med.Chem.Lett., 19, 2009
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3EQB
| X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | 著者 | Ohren, J.F, Pavlovsky, A, Zhang, E. | 登録日 | 2008-09-30 | 公開日 | 2008-11-11 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | 2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase). Bioorg.Med.Chem.Lett., 18, 2008
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2IKO
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2G1O
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2IL2
| Crystal Structure of Human Renin Complexed with Inhibitor | 分子名称: | CITRIC ACID, N-[2-({2-AMINO-6-ETHYL-5-[4-(3-METHOXYPROPYL)-2,2-DIMETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL]PYRIMIDIN-4-YL}AMINO)ETHYL]NAPHTHALENE-2-SULFONAMIDE, Renin | 著者 | Mochalkin, I. | 登録日 | 2006-10-02 | 公開日 | 2006-12-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Binding thermodynamics of substituted diaminopyrimidine renin inhibitors. Anal.Biochem., 360, 2007
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2IKU
| Crystal Structure of Human Renin Complexed with Inhibitors | 分子名称: | 6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]PYRIMIDINE-2,4-DIAMINE, Renin | 著者 | Mochalkin, I. | 登録日 | 2006-10-02 | 公開日 | 2006-12-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Binding thermodynamics of substituted diaminopyrimidine renin inhibitors. Anal.Biochem., 360, 2007
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2G1N
| Ketopiperazine-based renin inhibitors: Optimization of the "C" ring | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE, Renin | 著者 | Holsworth, D.D. | 登録日 | 2006-02-14 | 公開日 | 2006-06-13 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Ketopiperazine-based renin inhibitors: Optimization of the "C" ring BIOORG.MED.CHEM.LETT., 16, 2006
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