PDB: 1328 件ウェブページステータス検索Chemie searchBIRD

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6SUR	The Rab33B-Atg16L1 crystal structure 分子名称: Autophagy-related protein 16-1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... 著者 Metje-Sprink, J, Kuehnel, K. 登録日 2019-09-16 公開日 2020-08-05 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3.467 Å) 主引用文献 Crystal structure of the Rab33B/Atg16L1 effector complex. Sci Rep, 10, 2020
6STF	Human Rab8a phosphorylated at Ser111 in complex with GDP 分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-8A 著者 Vieweg, S, Mulholland, K, Braeuning, B, Kachariya, N, Lai, Y, Toth, R, Sattler, M, Groll, M, Itzen, A, Muqit, M.M.K. 登録日 2019-09-10 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 PINK1-dependent phosphorylation of Serine111 within the SF3 motif of Rab GTPases impairs effector interactions and LRRK2-mediated phosphorylation at Threonine72. Biochem.J., 477, 2020
8DNJ	Crystal structure of human KRAS G12C covalently bound with AstraZeneca WO2020/178282A1 compound 76 分子名称: 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... 著者 Mohr, C. 登録日 2022-07-11 公開日 2022-08-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors. J.Comput.Aided Mol.Des., 36, 2022
8DNI	Crystal structure of human KRAS G12C covalently bound with Araxes WO2020/028706A1 compound I-1 分子名称: (4P)-4-(5-methyl-1H-indazol-4-yl)-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Mohr, C. 登録日 2022-07-11 公開日 2022-08-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors. J.Comput.Aided Mol.Des., 36, 2022
8DNK	Crystal structure of human KRAS G12C covalently bound with Taiho WO2020/085493A1 compound 6 分子名称: 2-{[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl}-4-chloro-1-methyl-N-(1-propanoylazetidin-3-yl)-1H-imidazole-5-carboxamide, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... 著者 Mohr, C. 登録日 2022-07-11 公開日 2022-08-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors. J.Comput.Aided Mol.Des., 36, 2022
6STG	Human Rab8a phosphorylated at Ser111 in complex with GPPNP 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... 著者 Vieweg, S, Mulholland, K, Braeuning, B, Kachariya, N, Lai, Y, Toth, R, Sattler, M, Groll, M, Itzen, A, Muqit, M.M.K. 登録日 2019-09-10 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 PINK1-dependent phosphorylation of Serine111 within the SF3 motif of Rab GTPases impairs effector interactions and LRRK2-mediated phosphorylation at Threonine72. Biochem.J., 477, 2020
6T5B	KRasG12C ligand complex 分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Phillips, C. 登録日 2019-10-15 公開日 2020-02-26 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J.Med.Chem., 63, 2020
6T5U	KRasG12C ligand complex 分子名称: 1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Phillips, C. 登録日 2019-10-17 公開日 2020-02-19 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J.Med.Chem., 63, 2020
6T5V	KRasG12C ligand complex 分子名称: 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Phillips, C. 登録日 2019-10-17 公開日 2020-02-19 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J.Med.Chem., 63, 2020
3CF6	Structure of Epac2 in complex with cyclic-AMP and Rap 分子名称: 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL, Rap guanine nucleotide exchange factor (GEF) 4, Ras-related protein Rap-1b, ... 著者 Rehmann, H, Arias-Palomo, E, Hadders, M.A, Schwede, F, Llorca, O, Bos, J.L. 登録日 2008-03-02 公開日 2008-07-29 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure of Epac2 in complex with a cyclic AMP analogue and RAP1B Nature, 455, 2008
7ACF	CRYSTAL STRUCTURE OF CRYSTAL FORM 2 OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 分子名称: (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... 著者 Kessler, D. 登録日 2020-09-10 公開日 2020-11-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Reply to Tran et al.: Dimeric KRAS protein-protein interaction stabilizers. Proc. Natl. Acad. Sci. U.S.A., 117, 2020
6TAM	X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 3) 分子名称: 7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Friberg, A, Nguyen, D. 登録日 2019-10-30 公開日 2020-04-08 最終更新日 2020-06-03 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C. Chemmedchem, 15, 2020
6TAN	X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 17) 分子名称: 7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Hillig, R.C, Eis, K, Badock, V. 登録日 2019-10-30 公開日 2020-04-08 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.16 Å) 主引用文献 Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C. Chemmedchem, 15, 2020
8EBZ	Crystal Structure of GMPPNP-bound KRAS-G13D mutant at 1.2 Ang resolution 分子名称: Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER 著者 Chan, A.H, Simanshu, D.K. 登録日 2022-08-31 公開日 2023-06-07 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Reduced dynamic complexity allows structure elucidation of an excited state of KRAS G13D . Commun Biol, 6, 2023
8ECR	KRAS4b WT 1-185 bound to GDP-Mg2+ 分子名称: GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Betts, L, Rossman, K.L. 登録日 2022-09-02 公開日 2023-09-06 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 KRAS4b WT 1-185 bound to GDP-Mg2+ To Be Published
7ACQ	CRYSTAL STRUCTURE OF INACTIVE KRAS G12D (GDP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI-5747 分子名称: (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Kessler, D. 登録日 2020-09-11 公開日 2020-11-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 CRYSTAL STRUCTURE OF INACTIVE KRAS G12D (GDP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI00925747 To Be Published
8EDY	KRAS4b A146T 1-185 bound to GDP 分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE 著者 Betts, L, Rossman, K.L. 登録日 2022-09-06 公開日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.18 Å) 主引用文献 KRAS4b A146T 1-185 bound to GDP To Be Published
8EER	KRAS4B A146V 1-185 bound to GDP 分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 4b of the GTPase KRAS 著者 Betts, L, Rossman, K.L. 登録日 2022-09-07 公開日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.18 Å) 主引用文献 KRAS4B A146V 1-185 bound to GDP To Be Published
721P	THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES 分子名称: H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER 著者 Krengel, U, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F. 登録日 1991-06-06 公開日 1994-01-31 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules. Cell(Cambridge,Mass.), 62, 1990
7ACA	CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 分子名称: (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, 1,2-ETHANEDIOL, GTPase KRas, ... 著者 Kessler, D. 登録日 2020-09-10 公開日 2020-11-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 To Be Published
3CON	Crystal structure of the human NRAS GTPase bound with GDP 分子名称: GTPase NRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Nedyalkova, L, Tong, Y, Tempel, W, Shen, L, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) 登録日 2008-03-28 公開日 2008-04-08 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.649 Å) 主引用文献 Crystal structure of the human NRAS GTPase bound with GDP. To be Published
7BTA	Crystal structure of Rheb D60K mutant bound to GDP 分子名称: GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION 著者 Zhang, C, Zhang, T, Ding, J. 登録日 2020-03-31 公開日 2020-06-17 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Molecular basis for the functions of dominantly active Y35N and inactive D60K Rheb mutants in mTORC1 signaling. J Mol Cell Biol, 12, 2020
7BTC	Crystal structure of Rheb Y35N mutant bound to GDP 分子名称: GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE 著者 Zhang, C, Zhang, T, Ding, J. 登録日 2020-04-01 公開日 2020-06-17 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.101 Å) 主引用文献 Molecular basis for the functions of dominantly active Y35N and inactive D60K Rheb mutants in mTORC1 signaling. J Mol Cell Biol, 12, 2020
8ETD	Crystal Structure of Schizosaccharomyces pombe Rho1 分子名称: GTP-binding protein rho1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION 著者 Huang, Q, Xie, J, Seetharaman, J. 登録日 2022-10-16 公開日 2022-12-07 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.78 Å) 主引用文献 Crystal Structure of Schizosaccharomyces pombe Rho1 Reveals Its Evolutionary Relationship with Other Rho GTPases. Biology (Basel), 11, 2022
3E5H	Crystal Structure of Rab28 GTPase in the Active (GppNHp-bound) Form 分子名称: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... 著者 Lee, S.H, Baek, K, Li, Y, Dominguez, R. 登録日 2008-08-13 公開日 2008-08-26 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.499 Å) 主引用文献 Large nucleotide-dependent conformational change in Rab28. Febs Lett., 582, 2008

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