PDB: 965 件ウェブページステータス検索Chemie searchBIRD

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8GDV	Structure of M66I mutant of disulfide stabilized HIV-1 CA hexamer in complex with CPSF6 peptide and IP6 分子名称: Cleavage and polyadenylation specificity factor subunit 6, Gag polyprotein, INOSITOL HEXAKISPHOSPHATE 著者 Briganti, L, Schope, L, Kvaratskhelia, M. 登録日 2023-03-06 公開日 2024-03-13 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Structure of M66I mutant of disulfide stabilized HIV-1 CA hexamer in complex with CPSF6 peptide and IP6 To Be Published
4AN9	Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. 分子名称: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... 著者 Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. 登録日 2012-03-16 公開日 2012-12-19 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973) Acs Med.Chem.Lett., 3, 2012
3ZLW	Crystal structure of MEK1 in complex with fragment 3 分子名称: (1R)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 MAPK/ERK KINASE 1, MEK 1, ... 著者 Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. 登録日 2013-02-04 公開日 2013-05-22 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
3ZLX	Crystal structure of MEK1 in complex with fragment 18 分子名称: 7-choro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 著者 Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. 登録日 2013-02-04 公開日 2013-05-22 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
3ZLS	Crystal structure of MEK1 in complex with fragment 6 分子名称: 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION 著者 Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. 登録日 2013-02-04 公開日 2013-05-22 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
3ZM4	Crystal structure of MEK1 in complex with fragment 1 分子名称: 7-chloranyl-6-[(3S)-pyrrolidin-3-yl]oxy-2H-isoquinolin-1-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 著者 Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. 登録日 2013-02-05 公開日 2013-05-22 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.37 Å) 主引用文献 The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
3ZLY	Crystal structure of MEK1 in complex with fragment 8 分子名称: 3-AMINO-1H-INDAZOLE-4-CARBONITRILE, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION 著者 Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. 登録日 2013-02-04 公開日 2013-05-22 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
3TEI	Crystal structure of human ERK2 complexed with a MAPK docking peptide 分子名称: Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1 著者 Gogl, G, Remenyi, A. 登録日 2011-08-15 公開日 2012-08-15 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.404 Å) 主引用文献 Specificity of linear motifs that bind to a common mitogen-activated protein kinase docking groove. Sci.Signal., 5, 2012
3MGE	X-ray Structure of Hexameric HIV-1 CA 分子名称: 1,2-ETHANEDIOL, Capsid protein p24 著者 Pornillos, O. 登録日 2010-04-05 公開日 2010-07-21 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Disulfide Bond Stabilization of the Hexameric Capsomer of Human Immunodeficiency Virus. J.Mol.Biol., 401, 2010
3U7X	Crystal structure of the human eIF4E-4EBP1 peptide complex without cap 分子名称: Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1, SULFATE ION, ... 著者 Siddiqui, N, Tempel, W, Nedyalkova, L, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Borden, K.L.B, Park, H, Structural Genomics Consortium (SGC) 登録日 2011-10-14 公開日 2011-11-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural Insights into the Allosteric Effects of 4EBP1 on the Eukaryotic Translation Initiation Factor eIF4E. J.Mol.Biol., 415, 2012
3V01	Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... 著者 Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S. 登録日 2011-12-07 公開日 2012-05-09 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.705 Å) 主引用文献 Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions. J.Med.Chem., 55, 2012
3VVH	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in complex with an inhibitor and MgATP 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... 著者 Kudo, N, Kato, R, Wakatsuki, S. 登録日 2012-07-24 公開日 2013-08-28 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in complex with an inhibitor and MgATP To be Published
3MBL	Crystal Structure of the human mitogen-activated protein kinase kinase 1 (MEK 1) in complex with ligand and MgADP 分子名称: 5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-1H-pyrrole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... 著者 Dougan, D.R, Mol, C.D. 登録日 2010-03-25 公開日 2010-07-28 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure-based design and synthesis of pyrrole derivatives as MEK inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
3M93	Complex crystal structure of Ascaris suum eIF4E-3 with m7G cap 分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic translation initiation factor 4E-binding protein 1, Translation initiation factor 4E 著者 Liu, W, Berkeley Structural Genomics Center (BSGC) 登録日 2010-03-19 公開日 2011-07-20 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural basis for nematode eIF4E binding an m2,2,7G-Cap and its implications for translation initiation. Nucleic Acids Res., 39, 2011
3M94	Complex crystal structure of Ascaris suum eIF4E-3 with m2,2,7G cap 分子名称: ACETYL GROUP, Eukaryotic translation initiation factor 4E-binding protein 1, N,N,7-trimethylguanosine 5'-(trihydrogen diphosphate), ... 著者 Liu, W, Berkeley Structural Genomics Center (BSGC) 登録日 2010-03-19 公開日 2011-07-20 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structural basis for nematode eIF4E binding an m2,2,7G-Cap and its implications for translation initiation. Nucleic Acids Res., 39, 2011
3W8Q	Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) 分子名称: Dual specificity mitogen-activated protein kinase kinase 1, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER 著者 Nakae, S, Kitamura, M, Shirai, T, Tada, T. 登録日 2013-03-20 公開日 2014-03-26 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure of mitogen-activated protein kinase kinase 1 in the DFG-out conformation. Acta Crystallogr.,Sect.F, 77, 2021
3W55	The structure of ERK2 in complex with FR148083 分子名称: (3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Mitogen-activated protein kinase 1 著者 Ohori, M, Kinoshita, T. 登録日 2013-01-21 公開日 2013-02-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Role of a cysteine residue in the active site of ERK and the MAPKK family Biochem.Biophys.Res.Commun., 353, 2007
3V04	Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. 分子名称: 4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... 著者 Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S. 登録日 2011-12-07 公開日 2012-05-09 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions. J.Med.Chem., 55, 2012
3WIG	Human MEK1 kinase in complex with CH5126766 and MgAMP-PNP 分子名称: CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... 著者 Lukacs, C.M, Janson, C, Schuck, V. 登録日 2013-09-12 公開日 2014-06-04 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Disruption of CRAF-Mediated MEK Activation Is Required for Effective MEK Inhibition in KRAS Mutant Tumors Cancer Cell, 25, 2014
2GON	Xray Structure of Gag133-278 分子名称: CITRATE ANION, Capsid protein p24 (CA) 著者 Kelly, B.N. 登録日 2006-04-13 公開日 2006-09-26 最終更新日 2021-10-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Implications for Viral Capsid Assembly from Crystal Structures of HIV-1 Gag 1-278 and CAN 133-278. Biochemistry, 45, 2006
2G35	NMR structure of talin-PTB in complex with PIPKI 分子名称: Talin-1, peptide 著者 Kong, X, Wang, X, Misra, S, Qin, J. 登録日 2006-02-17 公開日 2006-05-02 最終更新日 2022-03-09 実験手法 SOLUTION NMR 主引用文献 Structural Basis for the Phosphorylation-regulated Focal Adhesion Targeting of Type Igamma Phosphatidylinositol Phosphate Kinase (PIPKIgamma) by Talin. J.Mol.Biol., 359, 2006
2H7D	Solution structure of the talin F3 domain in complex with a chimeric beta3 integrin-PIP kinase peptide 分子名称: Chimera of 24-mer peptide from Integrin beta-3 and 10-mer peptide from Phosphatidylinositol-4-phosphate 5-kinase type-1 gamma, Talin-1 著者 Wegener, K.L. 登録日 2006-06-02 公開日 2007-01-30 最終更新日 2021-11-10 実験手法 SOLUTION NMR 主引用文献 Structural basis of integrin activation by talin CELL(CAMBRIDGE,MASS.), 128, 2007
7URT	T=1 particle HIV-1 CA G60A/G61P/M66A 分子名称: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE 著者 Pornillos, O, Ganser-Pornillos, B.K, Schirra, R.T. 登録日 2022-04-22 公開日 2023-02-15 最終更新日 2024-06-12 実験手法 ELECTRON MICROSCOPY (2.39 Å) 主引用文献 A molecular switch modulates assembly and host factor binding of the HIV-1 capsid. Nat.Struct.Mol.Biol., 30, 2023
2FYS	Crystal structure of Erk2 complex with KIM peptide derived from MKP3 分子名称: Dual specificity protein phosphatase 6, Mitogen-activated protein kinase 1 著者 Liu, S, Sun, J.P, Zhou, B, Zhang, Z.Y. 登録日 2006-02-08 公開日 2006-04-11 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural basis of docking interactions between ERK2 and MAP kinase phosphatase 3 Proc.Natl.Acad.Sci.Usa, 103, 2006
7URN	Structure of HIV-1 capsid declination 分子名称: HIV-1 capsid protein, INOSITOL HEXAKISPHOSPHATE 著者 Pornillos, O, Ganser-Pornillos, B.K, Schirra, R.T. 登録日 2022-04-22 公開日 2023-02-15 最終更新日 2024-05-15 実験手法 ELECTRON MICROSCOPY (3.43 Å) 主引用文献 A molecular switch modulates assembly and host factor binding of the HIV-1 capsid. Nat.Struct.Mol.Biol., 30, 2023

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