8VM2
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![BU of 8vm2 by Molmil](/molmil-images/mine/8vm2) | Crystal Structure of NRAS Q61K bound to GTP | Descriptor: | GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Gebregiworgis, T, Chan, J.Y.L, Kuntz, D.A, Prive, G.G, Marshall, C.B, Ikura, M. | Deposit date: | 2024-01-12 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structure of NRAS Q61K with a ligand-induced pocket near switch II. Eur J Cell Biol, 103, 2024
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8B78
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![BU of 8b78 by Molmil](/molmil-images/mine/8b78) | KRasG12C ligand complex | Descriptor: | 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Phillips, C, Breed, J. | Deposit date: | 2022-09-29 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration. J.Med.Chem., 66, 2023
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8B6I
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![BU of 8b6i by Molmil](/molmil-images/mine/8b6i) | KRasG12C ligand complex | Descriptor: | 1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Phillips, C, Breed, J. | Deposit date: | 2022-09-27 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration. J.Med.Chem., 66, 2023
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8BWG
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![BU of 8bwg by Molmil](/molmil-images/mine/8bwg) | HRas (1-166) Y64 phosphorylation | Descriptor: | GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Baumann, P, Jin, Y. | Deposit date: | 2022-12-06 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes. Commun Chem, 7, 2024
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6SUR
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![BU of 6sur by Molmil](/molmil-images/mine/6sur) | The Rab33B-Atg16L1 crystal structure | Descriptor: | Autophagy-related protein 16-1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Metje-Sprink, J, Kuehnel, K. | Deposit date: | 2019-09-16 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.467 Å) | Cite: | Crystal structure of the Rab33B/Atg16L1 effector complex. Sci Rep, 10, 2020
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6STG
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![BU of 6stg by Molmil](/molmil-images/mine/6stg) | Human Rab8a phosphorylated at Ser111 in complex with GPPNP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Vieweg, S, Mulholland, K, Braeuning, B, Kachariya, N, Lai, Y, Toth, R, Sattler, M, Groll, M, Itzen, A, Muqit, M.M.K. | Deposit date: | 2019-09-10 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 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
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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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3OIW
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![BU of 3oiw by Molmil](/molmil-images/mine/3oiw) | H-RasG12V with allosteric switch in the "on" state | Descriptor: | ACETATE ION, CALCIUM ION, GTPase HRas, ... | Authors: | Kumar, S, Buhrman, G, Mattos, C. | Deposit date: | 2010-08-20 | Release date: | 2010-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Allosteric Modulation of Ras-GTP Is Linked to Signal Transduction through RAF Kinase. J.Biol.Chem., 286, 2011
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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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3OIU
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![BU of 3oiu by Molmil](/molmil-images/mine/3oiu) | H-RasQ61L with allosteric switch in the "on" state | Descriptor: | ACETATE ION, CALCIUM ION, GTPase HRas, ... | Authors: | Buhrman, G, Mattos, C. | Deposit date: | 2010-08-20 | Release date: | 2010-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Allosteric Modulation of Ras-GTP Is Linked to Signal Transduction through RAF Kinase. J.Biol.Chem., 286, 2011
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3OIV
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![BU of 3oiv by Molmil](/molmil-images/mine/3oiv) | H-RasG12V with allosteric switch in the "off" state | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GTPase HRas, ... | Authors: | Buhrman, G, Mattos, C. | Deposit date: | 2010-08-20 | Release date: | 2010-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.837 Å) | Cite: | Allosteric Modulation of Ras-GTP Is Linked to Signal Transduction through RAF Kinase. J.Biol.Chem., 286, 2011
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6STF
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![BU of 6stf by Molmil](/molmil-images/mine/6stf) | Human Rab8a phosphorylated at Ser111 in complex with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-8A | Authors: | Vieweg, S, Mulholland, K, Braeuning, B, Kachariya, N, Lai, Y, Toth, R, Sattler, M, Groll, M, Itzen, A, Muqit, M.M.K. | Deposit date: | 2019-09-10 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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
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3Q72
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![BU of 3q72 by Molmil](/molmil-images/mine/3q72) | Crystal Structure of Rad G-domain-GTP Analog Complex | Descriptor: | CALCIUM ION, GTP-binding protein RAD, MAGNESIUM ION, ... | Authors: | Sasson, Y, Navon-Perry, L, Hirsch, J.A. | Deposit date: | 2011-01-04 | Release date: | 2011-09-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.655 Å) | Cite: | RGK Family G-Domain:GTP Analog Complex Structures and Nucleotide-Binding Properties. J.Mol.Biol., 413, 2011
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3Q7P
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![BU of 3q7p by Molmil](/molmil-images/mine/3q7p) | |
6UKA
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![BU of 6uka by Molmil](/molmil-images/mine/6uka) | Crystal structure of RHOG and ELMO complex | Descriptor: | Engulfment and cell motility protein 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Jo, C.H, Killoran, R.C, Smith, M.J. | Deposit date: | 2019-10-04 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state. Nat Commun, 11, 2020
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6USZ
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![BU of 6usz by Molmil](/molmil-images/mine/6usz) | Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Vigers, G.P, Smith, D.J. | Deposit date: | 2019-10-28 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer. J.Med.Chem., 63, 2020
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3Q7Q
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![BU of 3q7q by Molmil](/molmil-images/mine/3q7q) | Crystal Structure of Rad G-domain Q148A-GTP Analog Complex | Descriptor: | CALCIUM ION, GTP-binding protein RAD, MAGNESIUM ION, ... | Authors: | Sasson, Y, Navon-Perry, L, Hirsch, J.A. | Deposit date: | 2011-01-05 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | RGK Family G-Domain:GTP Analog Complex Structures and Nucleotide-Binding Properties. J.Mol.Biol., 413, 2011
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3Q85
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![BU of 3q85 by Molmil](/molmil-images/mine/3q85) | Crystal Structure of Rem2 G-domain -GTP Analog Complex | Descriptor: | GTP-binding protein REM 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Navon-Perry, L, Hirsch, J.A. | Deposit date: | 2011-01-06 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.757 Å) | Cite: | RGK Family G-Domain:GTP Analog Complex Structures and Nucleotide-Binding Properties. J.Mol.Biol., 413, 2011
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3PIR
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![BU of 3pir by Molmil](/molmil-images/mine/3pir) | Crystal structure of M-RasD41E in complex with GppNHp (type 1) | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein M-Ras | Authors: | Muraoka, S, Matsumoto, K, Shima, F, Hu, L, Ijiri, Y, Hirai, R, Liao, J, Kataoka, T. | Deposit date: | 2010-11-07 | Release date: | 2011-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of M-RasD41E in complex with GppNHp (type 1) To be Published
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3RS3
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![BU of 3rs3 by Molmil](/molmil-images/mine/3rs3) | H-Ras soaked in neat hexane: 1 of 10 in MSCS set | Descriptor: | CALCIUM ION, GTPase HRas, HEXANE, ... | Authors: | Mattos, C, Buhrman, G, Kearney, B. | Deposit date: | 2011-05-02 | Release date: | 2011-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase. J.Mol.Biol., 413, 2011
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3RSL
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![BU of 3rsl by Molmil](/molmil-images/mine/3rsl) | H-Ras soaked in 90% R,S,R-bisfuranol: one of 10 in MSCS set | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol, CALCIUM ION, GTPase HRas, ... | Authors: | Mattos, C, Buhrman, G, Kearney, B. | Deposit date: | 2011-05-02 | Release date: | 2011-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase. J.Mol.Biol., 413, 2011
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6USX
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![BU of 6usx by Molmil](/molmil-images/mine/6usx) | Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | Descriptor: | 1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Vigers, G.P, Smith, D.J. | Deposit date: | 2019-10-28 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer. J.Med.Chem., 63, 2020
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