8DNK
 
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8DNI
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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
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8CX5
 | | Crystal Structure of small molecule alpha,beta-ketoamide 4 covalently bound to K-Ras(G12R) | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | | 著者 | Zhang, Z, Morstein, J, Ecker, A, Guiley, K.Z, Shokat, K.M. | | 登録日 | 2022-05-19 | | 公開日 | 2022-08-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Chemoselective Covalent Modification of K-Ras(G12R) with a Small Molecule Electrophile.
J.Am.Chem.Soc., 144, 2022
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8DYO
 | | Cryo-EM structure of Importin-4 bound to RanGTP | | 分子名称: | GTP-binding nuclear protein GSP1/CNR1, GUANOSINE-5'-TRIPHOSPHATE, Importin-4, ... | | 著者 | Bernardes, N.E, Fung, H.Y.J, Li, Y, Chen, Z, Chook, Y.M. | | 登録日 | 2022-08-04 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (7.1 Å) | | 主引用文献 | Structure of IMPORTIN-4 bound to the H3-H4-ASF1 histone-histone chaperone complex.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7USE
 | | Cryo-EM structure of WAVE regulatory complex with Rac1 bound on both A and D site | | 分子名称: | Abl interactor 2, Cytoplasmic FMR1-interacting protein 1, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Ding, B, Yang, S, Chen, B, Chowdhury, S. | | 登録日 | 2022-04-25 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structures reveal a key mechanism of WAVE regulatory complex activation by Rac1 GTPase.
Nat Commun, 13, 2022
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7USD
 | | Cryo-EM structure of D-site Rac1-bound WAVE Regulatory Complex | | 分子名称: | Abl interactor 2, Cytoplasmic FMR1-interacting protein 1, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Ding, B, Yang, S, Chen, B, Chowdhury, S. | | 登録日 | 2022-04-25 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structures reveal a key mechanism of WAVE regulatory complex activation by Rac1 GTPase.
Nat Commun, 13, 2022
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7EQ2
 | | Crystal structure of GDP-bound Rab1a-T75D | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, COBALT HEXAMMINE(III), ... | | 著者 | Cao, Y.L, Gu, D.D, Gao, S. | | 登録日 | 2021-04-28 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.55090284 Å) | | 主引用文献 | Aurora kinase A-mediated phosphorylation triggers structural alteration of Rab1A to enhance ER complexity during mitosis
Nat.Struct.Mol.Biol., 2024
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7U8H
 | | Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit | | 分子名称: | 1H-benzimidazol-2-ylmethanethiol, 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, GTPase KRas, ... | | 著者 | Phan, J, Fesik, S.W. | | 登録日 | 2022-03-08 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | | 主引用文献 | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
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8AFC
 | | CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 12 | | 分子名称: | 2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Boettcher, J, Kessler, D. | | 登録日 | 2022-07-16 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
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8AFB
 | | CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 23 (BI-0474) | | 分子名称: | (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Boettcher, J, Kessler, D. | | 登録日 | 2022-07-16 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
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8AFD
 | | CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a | | 分子名称: | (4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1H-benzimidazol-2-ylmethanethiol, GTPase KRas, ... | | 著者 | Boettcher, J, Kessler, D. | | 登録日 | 2022-07-16 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.633 Å) | | 主引用文献 | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
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7W5R
 | | KRAS G12V and peptide complex | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, LEU-TYR-ASP-VAL-ALA, ... | | 著者 | Kim, H.J, Han, C.W, Jang, S.B. | | 登録日 | 2021-11-30 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.87 Å) | | 主引用文献 | Structural basis of the oncogenic KRAS mutant and GJ101 complex.
Biochem.Biophys.Res.Commun., 641, 2023
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8AQ5
 | | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 16 | | 分子名称: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Ostermann, N. | | 登録日 | 2022-08-11 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors.
J.Med.Chem., 65, 2022
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8AQ7
 | | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 9 | | 分子名称: | 1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Ostermann, N. | | 登録日 | 2022-08-11 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors.
J.Med.Chem., 65, 2022
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8BNT
 | | The DH domain of ARHGEF2 bound to RhoA | | 分子名称: | DIMETHYL SULFOXIDE, FORMIC ACID, Rho guanine nucleotide exchange factor 2, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Grosjean, H, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2022-11-25 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | The DH domain of ARHGEF2 bound to RhoA
To Be Published
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8ETD
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7T1F
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7TAM
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7QSC
 | | GTPase IN COMPLEX WITH GDP.MGF3- | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... | | 著者 | Baumann, P, Jin, Y. | | 登録日 | 2022-01-13 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | GTPase IN COMPLEX WITH GDP.MGF3-
To Be Published
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7QTM
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7WZC
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7WZA
 | | An open conformation Form 1 of switch II for RhoA | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA | | 著者 | Jiang, H, Luo, C. | | 登録日 | 2022-02-17 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.50028777 Å) | | 主引用文献 | A RhoA structure with switch II flipped outward revealed the conformational dynamics of switch II region.
J.Struct.Biol., 215, 2023
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8I5W
 | | Crystal structure of the DHR-2 domain of DOCK10 in complex with Rac1 | | 分子名称: | Dedicator of cytokinesis protein 10, Ras-related C3 botulinum toxin substrate 1, SULFATE ION | | 著者 | Kukimoto-Niino, M, Mishima-Tsumagari, C, Ihara, K, Fukui, Y, Yokoyama, S, Shirouzu, M. | | 登録日 | 2023-01-26 | | 公開日 | 2023-03-15 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.432 Å) | | 主引用文献 | Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor.
Biochem.Biophys.Res.Commun., 653, 2023
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8I5F
 | | Crystal structure of the DHR-2 domain of DOCK10 in complex with Cdc42 (T17N mutant) | | 分子名称: | Cell division control protein 42 homolog, Dedicator of cytokinesis protein 10 | | 著者 | Kukimoto-Niino, M, Mishima-Tsumagari, C, Fukui, Y, Yokoyama, S, Shirouzu, M. | | 登録日 | 2023-01-25 | | 公開日 | 2023-03-15 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor.
Biochem.Biophys.Res.Commun., 653, 2023
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