7T47
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![BU of 7t47 by Molmil](/molmil-images/mine/7t47) | KRAS G12D (GppCp) with MRTX-1133 | Descriptor: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol, ACETATE ION, GLYCEROL, ... | Authors: | Thomas, N.C, Gunn, R.J, Lawson, J.D, Wang, X, Matthew, M.A. | Deposit date: | 2021-12-09 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | A Non-covalent KRASG12D Allele Specific Inhibitor Demonstrates Potent Inhibition of KRAS-dependent Signaling and Regression of KRASG12D-mutant Tumors Nature, 2022
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8CNN
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![BU of 8cnn by Molmil](/molmil-images/mine/8cnn) | BeF3 Phospho-HRas GSA complex | Descriptor: | ACETATE ION, BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Baumann, P, Jin, Y. | Deposit date: | 2023-02-23 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes. Commun Chem, 7, 2024
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8CNJ
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![BU of 8cnj by Molmil](/molmil-images/mine/8cnj) | HRas(1-166) in complex with GDP and BeF3- | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BERYLLIUM TRIFLUORIDE ION, GTPase HRas, ... | Authors: | Baumann, P, Jin, Y. | Deposit date: | 2023-02-23 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes. Commun Chem, 7, 2024
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2W2X
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![BU of 2w2x by Molmil](/molmil-images/mine/2w2x) | Complex of Rac2 and PLCg2 spPH Domain | Descriptor: | 1-PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE PHOSPHODIESTERASE GAMMA-2, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Opaleye, O, Bunney, T.D, Roe, S.M, Pearl, L.H. | Deposit date: | 2008-11-04 | Release date: | 2009-05-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insights Into Formation of an Active Signaling Complex between Rac and Phospholipase C Gamma 2. Mol.Cell, 34, 2009
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5LEF
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![BU of 5lef by Molmil](/molmil-images/mine/5lef) | Rab6A:Kif20A complex | Descriptor: | GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ISOPROPYL ALCOHOL, ... | Authors: | Bressanelli, G, Pylypenko, O, Houdusse, A. | Deposit date: | 2016-06-29 | Release date: | 2017-11-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.088 Å) | Cite: | Coupling fission and exit of RAB6 vesicles at Golgi hotspots through kinesin-myosin interactions. Nat Commun, 8, 2017
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6O36
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![BU of 6o36 by Molmil](/molmil-images/mine/6o36) | |
8IJ9
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![BU of 8ij9 by Molmil](/molmil-images/mine/8ij9) | Crystal structure of the ELKS1/Rab6B complex | Descriptor: | ELKS/Rab6-interacting/CAST family member 1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Jin, G, Wei, Z. | Deposit date: | 2023-02-26 | Release date: | 2023-06-14 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural basis of ELKS/Rab6B interaction and its role in vesicle capturing enhanced by liquid-liquid phase separation. J.Biol.Chem., 299, 2023
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5VQ0
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![BU of 5vq0 by Molmil](/molmil-images/mine/5vq0) | Crystal structure of human KRAS G12A mutant in complex with GDP (EDTA soaked) | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-05-06 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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5VQ6
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![BU of 5vq6 by Molmil](/molmil-images/mine/5vq6) | Crystal structure of human WT-KRAS in complex with GTP-gamma-S | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-05-08 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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5VP7
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![BU of 5vp7 by Molmil](/molmil-images/mine/5vp7) | Crystal structure of human KRAS G12A mutant in complex with GDP | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Xu, S, Long, B, Boris, G, Chen, A, Ni, S, Kennedy, M.A. | Deposit date: | 2017-05-04 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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6T5B
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![BU of 6t5b by Molmil](/molmil-images/mine/6t5b) | KRasG12C ligand complex | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Phillips, C. | Deposit date: | 2019-10-15 | Release date: | 2020-02-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J.Med.Chem., 63, 2020
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6T5U
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![BU of 6t5u by Molmil](/molmil-images/mine/6t5u) | KRasG12C ligand complex | Descriptor: | 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, ... | Authors: | Phillips, C. | Deposit date: | 2019-10-17 | Release date: | 2020-02-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J.Med.Chem., 63, 2020
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6T5V
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![BU of 6t5v by Molmil](/molmil-images/mine/6t5v) | KRasG12C ligand complex | Descriptor: | 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, ... | Authors: | Phillips, C. | Deposit date: | 2019-10-17 | Release date: | 2020-02-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J.Med.Chem., 63, 2020
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5VPZ
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![BU of 5vpz by Molmil](/molmil-images/mine/5vpz) | Crystal structure of human KRAS G12A mutant in complex with GTP-gamma-S | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-05-06 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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3NKV
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![BU of 3nkv by Molmil](/molmil-images/mine/3nkv) | Crystal structure of Rab1b covalently modified with AMP at Y77 | Descriptor: | ADENOSINE MONOPHOSPHATE, BARIUM ION, MAGNESIUM ION, ... | Authors: | Mueller, M.P, Peters, H, Blankenfeldt, W, Goody, R.S, Itzen, A. | Deposit date: | 2010-06-21 | Release date: | 2010-08-04 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Legionella effector protein DrrA AMPylates the membrane traffic regulator Rab1b. Science, 329, 2010
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6TAM
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![BU of 6tam by Molmil](/molmil-images/mine/6tam) | |
6TAN
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![BU of 6tan by Molmil](/molmil-images/mine/6tan) | X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 17) | Descriptor: | 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, ... | Authors: | Hillig, R.C, Eis, K, Badock, V. | Deposit date: | 2019-10-30 | Release date: | 2020-04-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C. Chemmedchem, 15, 2020
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5WDO
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![BU of 5wdo by Molmil](/molmil-images/mine/5wdo) | H-Ras bound to GMP-PNP at 277K | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J. | Deposit date: | 2017-07-05 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Deconstruction of the Ras switching cycle through saturation mutagenesis. Elife, 6, 2017
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1JAH
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![BU of 1jah by Molmil](/molmil-images/mine/1jah) | H-RAS P21 PROTEIN MUTANT G12P, COMPLEXED WITH GUANOSINE-5'-[BETA,GAMMA-METHYLENE] TRIPHOSPHATE AND MAGNESIUM | Descriptor: | C-HA-RAS, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | Authors: | Schweins, T, Scheffzek, K, Assheuer, R, Wittinghofer, A. | Deposit date: | 1996-12-15 | Release date: | 1997-07-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The role of the metal ion in the p21ras catalysed GTP-hydrolysis: Mn2+ versus Mg2+. J.Mol.Biol., 266, 1997
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1JAI
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![BU of 1jai by Molmil](/molmil-images/mine/1jai) | H-RAS P21 PROTEIN MUTANT G12P, COMPLEXED WITH GUANOSINE-5'-[BETA,GAMMA-METHYLENE] TRIPHOSPHATE AND MANGANESE | Descriptor: | C-HA-RAS, MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | Authors: | Schweins, T, Scheffzek, K, Assheuer, R, Wittinghofer, A. | Deposit date: | 1996-12-15 | Release date: | 1997-07-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The role of the metal ion in the p21ras catalysed GTP-hydrolysis: Mn2+ versus Mg2+. J.Mol.Biol., 266, 1997
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2IL1
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![BU of 2il1 by Molmil](/molmil-images/mine/2il1) | Crystal structure of a predicted human GTPase in complex with GDP | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wang, J, Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2006-10-02 | Release date: | 2006-10-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a predicted human GTPase in complex with GDP To be Published
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1K8R
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![BU of 1k8r by Molmil](/molmil-images/mine/1k8r) | Crystal structure of Ras-Bry2RBD complex | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Protein kinase byr2, ... | Authors: | Scheffzek, K, Gruenewald, P, Wohlgemuth, S, Kabsch, W, Tu, H, Wigler, M, Wittinghofer, A, Herrmann, C. | Deposit date: | 2001-10-25 | Release date: | 2002-03-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Ras-Byr2RBD complex: structural basis for Ras effector recognition in yeast. Structure, 9, 2001
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6ZIZ
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![BU of 6ziz by Molmil](/molmil-images/mine/6ziz) | CRYSTAL STRUCTURE OF NRAS Q61R IN COMPLEX WITH GTP AND COMPOUND 18 | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Kessler, D, Fischer, G, Boettcher, J. | Deposit date: | 2020-06-26 | Release date: | 2020-08-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.785 Å) | Cite: | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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2IC5
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![BU of 2ic5 by Molmil](/molmil-images/mine/2ic5) | Crystal structure of human RAC3 grown in the presence of Gpp(NH)p. | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ugochukwu, E, Yang, X, Zao, Y, Elkins, J, Gileadi, C, Burgess, N, Colebrook, S, Gileadi, O, Fedorov, O, Bunkoczi, G, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Doyle, D, Structural Genomics Consortium (SGC) | Deposit date: | 2006-09-12 | Release date: | 2006-10-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human RAC3 grown in the presence of Gpp(NH)p. To be Published
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2IEZ
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![BU of 2iez by Molmil](/molmil-images/mine/2iez) | Crystal Structure of mouse Rab27b bound to GDP in monoclinic space group | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-27B | Authors: | Chavas, L.M.G, Torii, S, Kamikubo, H, Kawasaki, M, Ihara, K, Kato, R, Kataoka, M, Izumi, T, Wakatsuki, S. | Deposit date: | 2006-09-19 | Release date: | 2007-05-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the small GTPase Rab27b shows an unexpected swapped dimer Acta Crystallogr.,Sect.D, 63, 2007
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