PDB: 957 件ウェブページステータス検索Chemie searchBIRD

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6AXY	Structure of the V11I/T58A/I124A mutant of the HIV-1 capsid protein 分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION 著者 Gres, A.T, Kirby, K.A, Sarafianos, S.G. 登録日 2017-09-07 公開日 2018-09-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.78 Å) 主引用文献 Identification of a novel element in HIV-1 capsid critical for assembly and maturation To be published
6BHT	HIV-1 CA hexamer in complex with IP6, orthorhombic crystal form 分子名称: Capsid protein p24, INOSITOL HEXAKISPHOSPHATE 著者 Zadrozny, K, Wagner, J.M, Ganser-Pornillos, B.K, Pornillos, O. 登録日 2017-10-31 公開日 2018-08-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.689 Å) 主引用文献 Inositol phosphates are assembly co-factors for HIV-1. Nature, 560, 2018
6BHS	HIV-1 CA hexamer in complex with IP6, hexagonal crystal form 分子名称: Capsid protein p24, INOSITOL HEXAKISPHOSPHATE 著者 Zadrozny, K, Wagner, J.M, Ganser-Pornillos, B.K, Pornillos, O. 登録日 2017-10-31 公開日 2018-08-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.984 Å) 主引用文献 Inositol phosphates are assembly co-factors for HIV-1. Nature, 560, 2018
6AXT	Structure of the T58S/T107I/P122A mutant of the HIV-1 capsid protein 分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION 著者 Gres, A.T, Kirby, K.A, Sarafianos, S.G. 登録日 2017-09-07 公開日 2018-09-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Identification of a novel element in HIV-1 capsid critical for assembly and maturation To be published
6AY9	Structure of the native full-length HIV-1 capsid protein in complex with CPSF6 peptide 分子名称: CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 6, HIV-1 capsid protein, ... 著者 Gres, A.T, Kirby, K.A, Sarafianos, S.G. 登録日 2017-09-07 公開日 2018-09-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization. Nat Commun, 14, 2023
6B2K	E45A/R132T mutant of HIV-1 capsid protein 分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION 著者 Gres, A.T, Kirby, K.A, Sarafianos, S.G. 登録日 2017-09-20 公開日 2018-09-26 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization. Nat Commun, 14, 2023
6AXW	Structure of the I124A mutant of the HIV-1 capsid protein 分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION 著者 Gres, A.T, Kirby, K.A, Sarafianos, S.G. 登録日 2017-09-07 公開日 2018-09-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Identification of a Structural Element in HIV-1 Gag Required for Virus Particle Assembly and Maturation. MBio, 9, 2018
6CPW	Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology 分子名称: (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION 著者 Hruza, A, Hruza, A. 登録日 2018-03-14 公開日 2018-05-23 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology. Bioorg. Med. Chem. Lett., 28, 2018
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
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
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
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
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
4QTE	Structure of ERK2 in complex with VTX-11e, 4-{2-[(2-CHLORO-4-FLUOROPHENYL)AMINO]-5-METHYLPYRIMIDIN-4-YL}-N-[(1S)-1-(3-CHLOROPHENYL)-2-HYDROXYETHYL]-1H-PYRROLE-2-CARBOXAMIDE 分子名称: 1,2-ETHANEDIOL, 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, ... 著者 Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2014-07-07 公開日 2014-07-23 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics. Nat.Chem.Biol., 10, 2014
4QTA	Structure of human ERK2 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket 分子名称: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, ... 著者 Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2014-07-07 公開日 2014-07-23 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics. Nat.Chem.Biol., 10, 2014
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
4QP3	Crystal Structure of ERK2 in complex with (S)-2-((9H-purin-6-yl)amino)-3-phenylpropan-1-ol 分子名称: (2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol, 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 (2.599 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
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
4S32	Crystal structure of ERK2 AMP-PNP complex 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 (1.34 Å) 主引用文献 Crystal structure of ERK2 AMP-PNP complex To be Published
4S30	ERK2 intrinsically active mutant (I84A) 分子名称: Mitogen-activated protein kinase 1 著者 Livnah, O, Karamansha, Y. 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 Å) 主引用文献 Multiple mechanisms render Erk proteins MEK-independent To be Published
4S31	Crystal structure of mitogen-activated protein kinase 1 wtERK2 at 1.45A 分子名称: Mitogen-activated protein kinase 1 著者 Livnah, O, Karamansha, Y. 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 (1.45 Å) 主引用文献 Multiple mechanisms render Erk proteins MEK-independent To be Published
4QP1	Crystal structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine 分子名称: IMIDAZOLE, Mitogen-activated protein kinase 1, N-BENZYL-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 2015-12-16 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015

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