2IAY
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3KK7
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2OOC
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3L5O
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3HSA
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3K5J
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3GF8
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3H0N
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3HBZ
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4X7Q
| PIM2 kinase in complex with Compound 1s | 分子名称: | 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-2 | 著者 | Marcotte, D.J, Silvian, L.F. | 登録日 | 2014-12-09 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Structure-based design of low-nanomolar PIM kinase inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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3H41
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4XHK
| PIM1 kinase in complex with Compound 1s | 分子名称: | 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1 | 著者 | Marcotte, D.J, Silvian, L.F. | 登録日 | 2015-01-05 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-based design of low-nanomolar PIM kinase inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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3H50
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3IRB
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6TYM
| KEAP1 Kelch domain in complex with Compound 9 | 分子名称: | (3S)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Marcotte, D.J. | 登録日 | 2019-08-09 | 公開日 | 2020-01-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.422 Å) | 主引用文献 | Design, synthesis and identification of novel, orally bioavailable non-covalent Nrf2 activators. Bioorg.Med.Chem.Lett., 30, 2020
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6TYP
| KEAP1 Kelch domain in complex with Compound 2 | 分子名称: | (3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid, FORMIC ACID, Kelch-like ECH-associated protein 1 | 著者 | Marcotte, D.J. | 登録日 | 2019-08-09 | 公開日 | 2020-01-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Design, synthesis and identification of novel, orally bioavailable non-covalent Nrf2 activators. Bioorg.Med.Chem.Lett., 30, 2020
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1NF1
| THE GAP RELATED DOMAIN OF NEUROFIBROMIN | 分子名称: | PROTEIN (NEUROFIBROMIN) | 著者 | Scheffzek, K, Ahmadian, M.R, Wiesmueller, L, Kabsch, W, Stege, P, Schmitz, F, Wittinghofer, A. | 登録日 | 1998-07-08 | 公開日 | 1999-07-20 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural analysis of the GAP-related domain from neurofibromin and its implications. EMBO J., 17, 1998
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6VQF
| CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244- 487)-L6-SRC1(678-692)) IN COMPLEX WITH AN INVERSE AGONIST | 分子名称: | (1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid, GLYCEROL, Nuclear receptor ROR-gamma | 著者 | Sack, J.S. | 登録日 | 2020-02-05 | 公開日 | 2020-04-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of BMS-986251: A Clinically Viable, Potent, and Selective ROR gamma t Inverse Agonist. Acs Med.Chem.Lett., 11, 2020
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6GK8
| Crystal structure of anti-tau antibody dmCBTAU-28.1, double mutant (S32R, E35K) of CBTAU-28.1, in complex with Tau peptide A7731 (residues 52-71) | 分子名称: | CHLORIDE ION, HUMAN FAB ANTIBODY FRAGMENT OF CBTAU-28.1(S32R;E35K), TAU PEPTIDE A7731 (RESIDUES 52-71) | 著者 | Steinbacher, S, Mrosek, M, Juraszek, J. | 登録日 | 2018-05-18 | 公開日 | 2018-06-13 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities. Acta Neuropathol Commun, 6, 2018
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6GK7
| Crystal structure of anti-tau antibody dmCBTAU-27.1, double mutant (S31Y, T100I) of CBTAU-27.1, in complex with Tau peptide A8119B (residues 299-318) | 分子名称: | CHLORIDE ION, HUMAN FAB ANTIBODY FRAGMENT OF CBTAU-27.1(S31Y,T100I), HUMAN TAU PEPTIDE A8119 RESIDUES 299-318 | 著者 | Steinbacher, S, Mrosek, M, Juraszek, J. | 登録日 | 2018-05-18 | 公開日 | 2018-06-13 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities. Acta Neuropathol Commun, 6, 2018
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1OCE
| ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH MF268 | 分子名称: | ACETYLCHOLINESTERASE, CIS-2,6-DIMETHYLMORPHOLINOOCTYLCARBAMYLESEROLINE | 著者 | Bartolucci, C, Perola, E, Cellai, L, Brufani, M, Lamba, D. | 登録日 | 1998-06-12 | 公開日 | 1999-05-18 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | "Back door" opening implied by the crystal structure of a carbamoylated acetylcholinesterase. Biochemistry, 38, 1999
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3O2M
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5ZV3
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5KO1
| Pseudokinase Domain of MLKL bound to Compound 4. | 分子名称: | Mixed lineage kinase domain-like protein, [(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate | 著者 | Marcotte, D.J. | 登録日 | 2016-06-29 | 公開日 | 2016-11-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis. Plos One, 11, 2016
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5KNJ
| Pseudokinase Domain of MLKL bound to Compound 1. | 分子名称: | 1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea, Mixed lineage kinase domain-like protein | 著者 | Marcotte, D.J. | 登録日 | 2016-06-28 | 公開日 | 2016-11-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis. Plos One, 11, 2016
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