6O8I
| BTK In Complex With Inhibitor | 分子名称: | 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, Tyrosine-protein kinase BTK | 著者 | Pokross, M, Tebben, A.J, Watterson, S.H. | 登録日 | 2019-03-11 | 公開日 | 2019-04-03 | 最終更新日 | 2019-04-24 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK). J. Med. Chem., 62, 2019
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7RJ8
| CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | 著者 | Pokross, M, Muckelbauer, J. | 登録日 | 2021-07-20 | 公開日 | 2022-02-23 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors. J.Med.Chem., 65, 2022
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1D5N
| CRYSTAL STRUCTURE OF E. COLI MNSOD AT 100K | 分子名称: | MANGANESE (II) ION, PROTEIN (MANGANESE SUPEROXIDE DISMUTASE) | 著者 | Borgstahl, G.E.O, Pokross, M, Chehab, R, Sekher, A, Snell, E.H. | 登録日 | 1999-10-08 | 公開日 | 2000-03-02 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Cryo-trapping the six-coordinate, distorted-octahedral active site of manganese superoxide dismutase. J.Mol.Biol., 296, 2000
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4PTC
| Structure of a carboxamide compound (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) to GSK3b | 分子名称: | 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide, Glycogen synthase kinase-3 beta | 著者 | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | 登録日 | 2014-03-10 | 公開日 | 2015-04-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.711 Å) | 主引用文献 | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg.Med.Chem.Lett., 25, 2015
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3RYE
| Human FDPS Synthase in Complex with a N-Methyl Pyridinum Bisphosphonate | 分子名称: | 3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | 著者 | Evdokimov, A.G, Barnett, B.L, Ebetino, F.H, Pokross, M. | 登録日 | 2011-05-11 | 公開日 | 2011-06-01 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Human FDPS Synthase in Complex with a N-Methyl Pyridinum Bisphosphonate To be Published
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3S4J
| Human FDPS Synthase in Complex with a Rigid Analog of Risedronate | 分子名称: | 6,7-dihydro-5H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid), Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | 著者 | Evdokimov, A.G, Barnett, B.L, Ebetino, F.H, Pokross, M. | 登録日 | 2011-05-19 | 公開日 | 2011-06-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Human FDPS Synthase in Complex with a Rigid Analog of Risedronate To be Published
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4PTE
| Structure of a carvoxamide compound (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) to GSK3b | 分子名称: | Glycogen synthase kinase-3 beta, N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide | 著者 | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | 登録日 | 2014-03-10 | 公開日 | 2015-04-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.033 Å) | 主引用文献 | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg.Med.Chem.Lett., 25, 2015
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4PTG
| Structure of a carboxamine compound (26) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-METHOXYPYRIMIDINE-5-CARBOXAMIDE) to GSK3b | 分子名称: | 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide, Glycogen synthase kinase-3 beta | 著者 | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | 登録日 | 2014-03-10 | 公開日 | 2015-04-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.361 Å) | 主引用文献 | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg.Med.Chem.Lett., 25, 2015
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1ORJ
| FLAGELLAR EXPORT CHAPERONE | 分子名称: | flagellar protein FliS | 著者 | Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S. | 登録日 | 2003-03-13 | 公開日 | 2003-09-16 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion Nat.Struct.Biol., 10, 2003
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1ORY
| FLAGELLAR EXPORT CHAPERONE IN COMPLEX WITH ITS COGNATE BINDING PARTNER | 分子名称: | Flagellin, PHOSPHATE ION, flagellar protein FliS | 著者 | Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S. | 登録日 | 2003-03-17 | 公開日 | 2003-09-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion Nat.Struct.Biol., 10, 2003
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2RAH
| Human FDPS synthase in complex with novel inhibitor | 分子名称: | Farnesyl pyrophosphate synthetase, MAGNESIUM ION, SULFATE ION, ... | 著者 | Evdokimov, A.G, Barnett, B.L, Ebetino, F.H, Pokross, M. | 登録日 | 2007-09-15 | 公開日 | 2007-09-25 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Human FDPS synthase in complex with novel inhibitor To be Published
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2VF6
| Human FDPS synthase in complex with minodronate | 分子名称: | (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), FARNESYL PYROPHOSPHATE SYNTHETASE, MAGNESIUM ION | 著者 | Evdokimov, A.G, Barnett, B.L, Ebetino, F.H, Pokross, M. | 登録日 | 2007-10-31 | 公開日 | 2007-11-06 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Human Fdps Synthase in Complex with Novel Inhibitor To be Published
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2HC2
| Engineered protein tyrosine phosphatase beta catalytic domain | 分子名称: | MAGNESIUM ION, Receptor-type tyrosine-protein phosphatase beta, SODIUM ION | 著者 | Evdokimov, A.G, Pokross, M, Walter, R, Mekel, M. | 登録日 | 2006-06-15 | 公開日 | 2006-06-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery. Acta Crystallogr.,Sect.D, 62, 2006
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2HC1
| Engineered catalytic domain of protein tyrosine phosphatase HPTPbeta. | 分子名称: | ACETATE ION, CHLORIDE ION, Receptor-type tyrosine-protein phosphatase beta | 著者 | Evdokimov, A.G, Pokross, M, Walter, R, Mekel, M. | 登録日 | 2006-06-14 | 公開日 | 2006-06-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery. Acta Crystallogr.,Sect.D, 62, 2006
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6OKO
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7RJ6
| CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | 分子名称: | (1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | 著者 | Muckelbauer, J. | 登録日 | 2021-07-20 | 公開日 | 2022-02-23 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.132 Å) | 主引用文献 | Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors. J.Med.Chem., 65, 2022
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7RJ7
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5F95
| Crystal structure of GSK3b in complex with Compound 18: 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide | 分子名称: | 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta | 著者 | Lewis, H.A, Kish, K, Luo, G, Dubowchick, G.M. | 登録日 | 2015-12-09 | 公開日 | 2016-02-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.525 Å) | 主引用文献 | Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors. J.Med.Chem., 59, 2016
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5F94
| Crystal structure of GSK3b in complex with Compound 15: 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide | 分子名称: | 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta | 著者 | Lewis, H.A, Kish, K, Luo, G, Dubowchick, G.M. | 登録日 | 2015-12-09 | 公開日 | 2016-02-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors. J.Med.Chem., 59, 2016
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5BQ0
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5BPY
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2I5X
| Engineering the PTPbeta catalytic domain with improved crystallization properties | 分子名称: | (4-ETHYLPHENYL)SULFAMIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M, Klopfenstein, S. | 登録日 | 2006-08-26 | 公開日 | 2006-09-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery. Acta Crystallogr.,Sect.D, 62, 2006
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2I3U
| Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors | 分子名称: | Receptor-type tyrosine-protein phosphatase beta | 著者 | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | 登録日 | 2006-08-20 | 公開日 | 2006-08-29 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery. Acta Crystallogr.,Sect.D, 62, 2006
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2I3R
| Engineered catalytic domain of protein tyrosine phosphatase HPTPbeta | 分子名称: | CHLORIDE ION, Receptor-type tyrosine-protein phosphatase beta | 著者 | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | 登録日 | 2006-08-20 | 公開日 | 2006-08-29 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery. Acta Crystallogr.,Sect.D, 62, 2006
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2I4E
| Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors | 分子名称: | Receptor-type tyrosine-protein phosphatase beta, VANADATE ION | 著者 | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | 登録日 | 2006-08-21 | 公開日 | 2006-08-29 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery. Acta Crystallogr.,Sect.D, 62, 2006
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