PDB: 496 件ウェブページステータス検索Chemie searchBIRD

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4QNB	Disulfide stabilized HIV-1 CA hexamer in complex with PHENYL-L-PHENYLALANINAMIDE inhibitor 分子名称: CAPSID PROTEIN P24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE 著者 Pornillos, O. 登録日 2014-06-17 公開日 2014-12-31 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.996 Å) 主引用文献 Structural basis of HIV-1 capsid recognition by PF74 and CPSF6. Proc.Natl.Acad.Sci.USA, 111, 2014
4QP7	Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine 分子名称: 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1 著者 Yin, J, Wang, W. 登録日 2014-06-22 公開日 2015-09-23 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.249 Å) 主引用文献 Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP4	Crystal Structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine 分子名称: Mitogen-activated protein kinase 1, N-cyclohexyl-9H-purin-6-amine 著者 Yin, J, Wang, W. 登録日 2014-06-22 公開日 2015-09-23 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QPA	Crystal Structure of ERK2 in complex with 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine 分子名称: 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1 著者 Yin, J, Wang, W. 登録日 2014-06-22 公開日 2015-09-23 最終更新日 2015-12-16 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP2	Crystal Structure of ERKs in complex with 5-chlorobenzo[d]oxazol-2-amine 分子名称: 5-chloro-1,3-benzoxazol-2-amine, IMIDAZOLE, Mitogen-activated protein kinase 1 著者 Yin, J, Wang, W. 登録日 2014-06-22 公開日 2015-09-23 最終更新日 2015-12-16 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP8	Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine 分子名称: 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1 著者 Yin, J, Wang, W. 登録日 2014-06-22 公開日 2015-09-23 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.446 Å) 主引用文献 Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QYY	Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State 分子名称: (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION 著者 Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A. 登録日 2014-07-26 公開日 2014-11-12 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase. J.Med.Chem., 57, 2014
4QP6	Crystal Structure of ERK2 in complex with 5H-pyrrolo[2,3-b]pyrazine 分子名称: 5H-pyrrolo[2,3-b]pyrazine, IMIDAZOLE, Mitogen-activated protein kinase 1 著者 Yin, J, Wang, W. 登録日 2014-06-22 公開日 2015-09-23 最終更新日 2015-12-16 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4S2Z	ERK2 Intrinsically active mutant R65S 分子名称: Mitogen-activated protein kinase 1 著者 Livnah, O, Karamansha, Y. 登録日 2015-01-25 公開日 2016-01-27 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Multiple mechanisms render Erk proteins MEK-independent To be Published
4S34	ERK2 (I84A) in complex with AMP-PNP 分子名称: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 著者 Livnah, O, Karamansha, Y, Tzarum, N. 登録日 2015-01-26 公開日 2016-01-27 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Multiple mechanisms render Erk proteins MEK-independent To be Published
4FV2	Crystal Structure of the ERK2 complexed with EK5 分子名称: 1,2-ETHANEDIOL, 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide, GLYCEROL, ... 著者 Kang, Y.N, Stuckey, J.A, Xie, X. 登録日 2012-06-29 公開日 2012-08-29 最終更新日 2014-09-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure of the ERK2 complexed with EK5 TO BE PUBLISHED
4FV5	Crystal Structure of the ERK2 complexed with EK9 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide, ... 著者 Kang, Y.N, Stuckey, J.A, Xie, X. 登録日 2012-06-29 公開日 2012-08-29 最終更新日 2014-09-24 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal Structure of the ERK2 complexed with EK9 TO BE PUBLISHED
4FV8	Crystal Structure of the ERK2 complexed with E63 分子名称: 1,2-ETHANEDIOL, 6-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3H-indazol-3-one, Mitogen-activated protein kinase 1, ... 著者 Kang, Y.N, Stuckey, J.A, Xie, X. 登録日 2012-06-29 公開日 2012-08-29 最終更新日 2014-09-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure of the ERK2 complexed with E63 TO BE PUBLISHED
8QUL	Hexameric HIV-1 CA in complex with DDD00100555 分子名称: 3-(BENZYLOXY)PYRIDIN-2-AMINE, Spacer peptide 1 著者 Petit, A.P, Fyfe, P.K. 登録日 2023-10-16 公開日 2024-03-27 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
8QUY	Hexameric HIV-1 CA in complex with DDD01728501 分子名称: 1,2-ETHANEDIOL, 4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione, Spacer peptide 1 著者 Petit, A.P, Fyfe, P.K. 登録日 2023-10-17 公開日 2024-03-27 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
8QUI	Hexameric HIV-1 CA in complex with DDD00024969 分子名称: Spacer peptide 1, ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate 著者 Petit, A.P, Fyfe, P.K. 登録日 2023-10-16 公開日 2024-03-27 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
8QUW	Hexameric HIV-1 CA in complex with DDD01044153 分子名称: (4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one, 1,2-ETHANEDIOL, Spacer peptide 1 著者 Petit, A.P, Fyfe, P.K. 登録日 2023-10-17 公開日 2024-03-27 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
8QVA	Hexameric HIV-1 CA in complex with DDD01829894 分子名称: 1,2-ETHANEDIOL, 7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one, Spacer peptide 1 著者 Petit, A.P, Fyfe, P.K. 登録日 2023-10-17 公開日 2024-03-27 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
8QV9	Hexameric HIV-1 CA in complex with DDD01829021 分子名称: 1,2-ETHANEDIOL, 7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one, Spacer peptide 1 著者 Petit, A.P, Fyfe, P.K. 登録日 2023-10-17 公開日 2024-03-27 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
4FV0	Crystal Structure of the ERK2 complexed with EK3 分子名称: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 1, ... 著者 Kang, Y.N, Stuckey, J.A, Xie, X. 登録日 2012-06-28 公開日 2012-08-22 最終更新日 2014-09-24 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structure of the ERK2 complexed with EK3 TO BE PUBLISHED
8QUB	Hexameric HIV-1 CA in complex with DDD00074110 分子名称: (1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one, Spacer peptide 1 著者 Petit, A.P, Fyfe, P.K. 登録日 2023-10-16 公開日 2024-03-27 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
8QUJ	Hexameric HIV-1 CA in complex with DDD00100452 分子名称: 1,2-ETHANEDIOL, 3-(phenylmethyl)-1~{H}-imidazol-2-one, Spacer peptide 1 著者 Petit, A.P, Fyfe, P.K. 登録日 2023-10-16 公開日 2024-03-27 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
8QV4	Hexameric HIV-1 CA in complex with DDD01728503 分子名称: 1,2-ETHANEDIOL, Spacer peptide 1, ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate 著者 Petit, A.P, Fyfe, P.K. 登録日 2023-10-17 公開日 2024-03-27 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
8QUH	Hexameric HIV-1 CA in complex with DDD00057456 分子名称: 4-methylquinolin-2-ol, Spacer peptide 1 著者 Petit, A.P, Fyfe, P.K. 登録日 2023-10-16 公開日 2024-03-27 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
8QUK	Hexameric HIV-1 CA in complex with DDD00100439 分子名称: (phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate, 1,2-ETHANEDIOL, Spacer peptide 1 著者 Petit, A.P, Fyfe, P.K. 登録日 2023-10-16 公開日 2024-03-27 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024

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