PDB: 13488 件ウェブページステータス検索Chemie searchBIRD

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3MGY	Mutagenesis of p38 MAP Kinase eshtablishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state 分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. 登録日 2010-04-07 公開日 2010-04-21 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state. Biochemistry, 46, 2007
7V1M	Structural basis for the co-chaperone relationship of sNASP and ASF1b 分子名称: Histone H3.3, Histone H4, Histone chaperone ASF1B, ... 著者 Bao, H, Huang, H. 登録日 2021-08-04 公開日 2022-04-20 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.834 Å) 主引用文献 NASP maintains histone H3-H4 homeostasis through two distinct H3 binding modes. Nucleic Acids Res., 50, 2022
4N9F	Crystal structure of the Vif-CBFbeta-CUL5-ElOB-ElOC pentameric complex 分子名称: Core-binding factor subunit beta, Cullin-5, Transcription elongation factor B polypeptide 1, ... 著者 Guo, Y.Y, Dong, L.Y, Huang, Z.W. 登録日 2013-10-21 公開日 2014-01-08 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Structural basis for hijacking CBF-b and CUL5 E3 ligase complex by HIV-1 Vif Nature, 505, 2014
3MVM	P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7V 分子名称: 4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 著者 Sack, J.S. 登録日 2010-05-04 公開日 2010-10-13 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38? Map Kinase Inhibitor for the Treatment of Inflammatory Diseases J.Med.Chem., 53, 2010
3MVL	P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7K 分子名称: 4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 著者 Sack, J.S. 登録日 2010-05-04 公開日 2010-10-13 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38 Map Kinase Inhibitor for the Treatment of Inflammatory Diseases J.Med.Chem., 53, 2010
3MW1	p38 kinase Crystal structure in complex with small molecule inhibitor 分子名称: 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide, Mitogen-activated protein kinase 14 著者 Segarra, V, Caturla, F, Lumeras, W, Roca, R, Fisher, M, Lamers, M. 登録日 2010-05-05 公開日 2011-04-27 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 1,7-Naphthyridine 1-Oxides as Novel Potent and Selective Inhibitors of p38 Mitogen Activated Protein Kinase J.Med.Chem., 54, 2011
6HHJ	Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 24b 分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide 著者 Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. 登録日 2018-08-28 公開日 2019-02-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
6WJN	SD-like state of human 26S Proteasome with non-cleavable M1-linked hexaubiquitin and E3 ubiquitin ligase E6AP/UBE3A 分子名称: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ... 著者 Chen, X, Walters, K.J. 登録日 2020-04-14 公開日 2020-08-05 最終更新日 2024-03-06 実験手法 ELECTRON MICROSCOPY (5.7 Å) 主引用文献 Cryo-EM Reveals Unanchored M1-Ubiquitin Chain Binding at hRpn11 of the 26S Proteasome. Structure, 28, 2020
7K5Y	Cryo-EM structure of a chromatosome containing human linker histone H1.4 分子名称: DNA (197-MER), Histone H1.4, Histone H2A type 1-B/E, ... 著者 Zhou, B.-R, Bai, Y. 登録日 2020-09-17 公開日 2020-11-25 最終更新日 2024-03-06 実験手法 ELECTRON MICROSCOPY (2.76 Å) 主引用文献 Distinct Structures and Dynamics of Chromatosomes with Different Human Linker Histone Isoforms. Mol.Cell, 81, 2021
6HHG	Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 27 分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide 著者 Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. 登録日 2018-08-28 公開日 2019-02-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
3NWW	P38 Alpha kinase complexed with a 2-aminothiazol-5-yl-pyrimidine based inhibitor 分子名称: 1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea, Mitogen-activated protein kinase 14 著者 Sack, J.S. 登録日 2010-07-12 公開日 2010-09-08 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Utilization of a nitrogen-sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38alpha MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
3NNU	Crystal structure of P38 alpha in complex with DP1376 分子名称: 2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide, Mitogen-activated protein kinase 14 著者 Abendroth, J. 登録日 2010-06-24 公開日 2010-09-15 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
6HHH	Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 31 分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide 著者 Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. 登録日 2018-08-28 公開日 2019-02-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
3NNW	Crystal structure of P38 alpha in complex with DP802 分子名称: 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14 著者 Abendroth, J. 登録日 2010-06-24 公開日 2010-09-15 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
3NNX	Crystal structure of phosphorylated P38 alpha in complex with DP802 分子名称: 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14 著者 Abendroth, J. 登録日 2010-06-24 公開日 2010-09-15 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
3NNV	Crystal structure of P38 alpha in complex with DP437 分子名称: 1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14 著者 Abendroth, J. 登録日 2010-06-24 公開日 2010-09-15 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
3MPT	Crystal structure of P38 kinase in complex with a pyrrole-2-carboxamide inhibitor 分子名称: GLYCEROL, Mitogen-activated protein kinase 14, N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide 著者 Somers, D.O. 登録日 2010-04-27 公開日 2010-07-07 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 The discovery and initial optimisation of pyrrole-2-carboxamides as inhibitors of p38alpha MAP kinase. Bioorg.Med.Chem.Lett., 20, 2010
3MH1	Mutagenesis of p38 MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state 分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. 登録日 2010-04-07 公開日 2010-04-21 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state. Biochemistry, 46, 2007
3MPA	Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding 分子名称: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. 登録日 2010-04-26 公開日 2010-09-15 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding TO BE PUBLISHED
6HHF	Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib 分子名称: Borussertib, RAC-alpha serine/threonine-protein kinase 著者 Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. 登録日 2018-08-28 公開日 2019-03-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer. Cancer Res., 79, 2019
3O8U	Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding 分子名称: 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. 登録日 2010-08-03 公開日 2010-09-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding To be Published
3O8P	Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding 分子名称: 1,2-ETHANEDIOL, 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14, ... 著者 Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. 登録日 2010-08-03 公開日 2010-09-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding To be Published
7P27	NMR solution structure of Chikungunya virus macro domain 分子名称: Polyprotein P1234 著者 Lykouras, M.V, Tsika, A.C, Papageorgiou, N, Canard, B, Coutard, B, Bentrop, D, Spyroulias, G.A. 登録日 2021-07-04 公開日 2022-07-13 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 Binding Adaptation of GS-441524 Diversifies Macro Domains and Downregulates SARS-CoV-2 de-MARylation Capacity. J.Mol.Biol., 434, 2022
5XN2	HIV-1 reverse transcriptase Q151M:DNA:dGTP ternary complex 分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 38-MER DNA aptamer, GLYCEROL, ... 著者 Yasutake, Y, Tamura, N, Hayashi, H, Maeda, K. 登録日 2017-05-17 公開日 2018-02-07 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.381 Å) 主引用文献 HIV-1 with HBV-associated Q151M substitution in RT becomes highly susceptible to entecavir: structural insights into HBV-RT inhibition by entecavir. Sci Rep, 8, 2018
7PA2	PARK7 with inhibitor 8RK64 分子名称: (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide, Parkinson disease protein 7 著者 Kim, R.Q, Jia, Y, Sapmaz, A, Geurink, P.P. 登録日 2021-07-28 公開日 2022-08-10 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.21 Å) 主引用文献 Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput. J.Med.Chem., 65, 2022

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