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3MSX
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BU of 3msx by Molmil
Crystal structure of RhoA.GDP.MgF3 in complex with GAP domain of ArhGAP20
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 20, ...
Authors:Utepbergenov, D, Cooper, D.R, Derewenda, U, Derewenda, Z.S.
Deposit date:2010-04-29
Release date:2011-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mechanism of molecular specificity of RhoGAP domains towards small GTPases of RhoA family.
To be Published
4KVG
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BU of 4kvg by Molmil
Crystal structure of RIAM RA-PH domains in complex with GTP bound Rap1
Descriptor: 1,2-ETHANEDIOL, Amyloid beta A4 precursor protein-binding family B member 1-interacting protein, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhang, H, Chang, Y.E, Brennan, M.L, Wu, J.
Deposit date:2013-05-22
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The structure of Rap1 in complex with RIAM reveals specificity determinants and recruitment mechanism.
J Mol Cell Biol, 6, 2014
2ERX
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BU of 2erx by Molmil
Crystal Structure of DiRas2 in Complex With GDP and Inorganic Phosphate
Descriptor: GTP-binding protein Di-Ras2, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Papagrigoriou, E, Yang, X, Elkins, J, Niesen, F.E, Burgess, N, Salah, E, Fedorov, O, Ball, L.J, von Delft, F, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.
Deposit date:2005-10-25
Release date:2005-11-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of DiRas2
To be Published
6OIM
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BU of 6oim by Molmil
Crystal Structure of human KRAS G12C covalently bound to AMG 510
Descriptor: AMG 510 (bound form), GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mohr, C.
Deposit date:2019-04-09
Release date:2019-11-06
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The clinical KRAS(G12C) inhibitor AMG 510 drives anti-tumour immunity.
Nature, 575, 2019
5WDO
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BU of 5wdo by Molmil
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
2FN4
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BU of 2fn4 by Molmil
The crystal structure of human Ras-related protein, RRAS, in the GDP-bound state
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein R-Ras
Authors:Turnbull, A.P, Elkins, J.M, Gileadi, C, Burgess, N, Salah, E, Papagrigoriou, E, Debreczeni, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2006-01-10
Release date:2006-01-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structure of human Ras-related protein, RRAS, in the GDP-bound state
To be Published
1TX4
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BU of 1tx4 by Molmil
RHO/RHOGAP/GDP(DOT)ALF4 COMPLEX
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, P50-RHOGAP, ...
Authors:Rittinger, K, Walker, P.A, Smerdon, S.J, Gamblin, S.J.
Deposit date:1997-07-29
Release date:1998-09-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure at 1.65 A of RhoA and its GTPase-activating protein in complex with a transition-state analogue.
Nature, 389, 1997
6BSX
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BU of 6bsx by Molmil
CRYSTAL STRUCTURE OF RHEB IN COMPLEX WITH COMPOUND 1 AT 1.65A RESOLUTION
Descriptor: (5,6-dimethyl-1H-benzimidazol-2-yl)methanol, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Mahoney, S.J.
Deposit date:2017-12-04
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A small molecule inhibitor of Rheb selectively targets mTORC1 signaling.
Nat Commun, 9, 2018
3Q72
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BU of 3q72 by Molmil
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
5OCO
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BU of 5oco by Molmil
Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method.
Descriptor: CITRIC ACID, DI(HYDROXYETHYL)ETHER, GTPase KRas, ...
Authors:Cruz-Migoni, A, Ehebauer, M.T, Phillips, S.E.V, Quevedo, C.E, Rabbitts, T.H.
Deposit date:2017-07-03
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
8ELT
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BU of 8elt by Molmil
HRAS R97G Crystal Form 2
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Mattos, C.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
4DLZ
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BU of 4dlz by Molmil
H-Ras Set 2 Ca(OAc)2/DTE, ordered off
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, CALCIUM ION, GTPase HRas, ...
Authors:Holzapfel, G, Mattos, C.
Deposit date:2012-02-06
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.662 Å)
Cite:Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
6GJ7
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BU of 6gj7 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 22
Descriptor: (3~{S})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
Authors:Kessler, D, Mcconnell, D.M, Mantoulidis, A.
Deposit date:2018-05-16
Release date:2019-07-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
7G8H
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BU of 7g8h by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1198180782
Descriptor: 5-methoxy-1H-pyrrolo[3,2-b]pyridine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-06-22
Release date:2023-07-12
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:ARHGEF2 PanDDA analysis group deposition
To Be Published
4HDO
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BU of 4hdo by Molmil
Crystal structure of the binary Complex of KRIT1 bound to the Rap1 GTPase
Descriptor: GLYCEROL, Krev interaction trapped protein 1, MAGNESIUM ION, ...
Authors:Gingras, A.R.
Deposit date:2012-10-02
Release date:2013-07-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:The Structure of the Ternary Complex of Krev Interaction Trapped 1 (KRIT1) Bound to Both the Rap1 GTPase and the Heart of Glass (HEG1) Cytoplasmic Tail.
J.Biol.Chem., 288, 2013
7G80
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BU of 7g80 by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1041785508
Descriptor: 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-06-22
Release date:2023-07-12
Method:X-RAY DIFFRACTION (1.671 Å)
Cite:ARHGEF2 PanDDA analysis group deposition
To Be Published
5UHV
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BU of 5uhv by Molmil
wild-type NRas bound to GppNHp
Descriptor: GLYCEROL, GTPase NRas, MAGNESIUM ION, ...
Authors:Reid, D, Johnson, C, Salter, S, Mattos, C.
Deposit date:2017-01-12
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.672 Å)
Cite:The small GTPases K-Ras, N-Ras, and H-Ras have distinct biochemical properties determined by allosteric effects.
J. Biol. Chem., 292, 2017
6D55
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BU of 6d55 by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Hodges, T, Fesik, S.W.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6D56
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BU of 6d56 by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1H-benzimidazole, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Hodges, T, Fesik, S.W.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
3LXR
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BU of 3lxr by Molmil
Shigella IpgB2 in complex with human RhoA and GDP (complex C)
Descriptor: GUANOSINE-5'-DIPHOSPHATE, IpgB2, SULFATE ION, ...
Authors:Klink, B.U, Barden, S, Heidler, T.V, Borchers, C, Ladwein, M, Stradal, T.E.B, Rottner, K, Heinz, D.W.
Deposit date:2010-02-25
Release date:2010-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure of Shigella IPGB2 in complex with human RhoA: Implications for the mechanism of bacterial GEF-mimicry
J.Biol.Chem., 285, 2010
3RS5
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BU of 3rs5 by Molmil
H-Ras soaked in 55% dimethylformamide: 1 of 10 in MSCS set
Descriptor: CALCIUM ION, DIMETHYLFORMAMIDE, 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 (1.68 Å)
Cite:Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
6SQ2
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BU of 6sq2 by Molmil
Structure of a phosphomimetic switch 2 variant of Rab8a in complex with the phospho-Rab binding domain of RILPL2
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RILP-like protein 2, ...
Authors:Khan, A.R, Waschbusch, D.
Deposit date:2019-09-03
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.684 Å)
Cite:Structure of a phosphomimetic switch 2 variant of Rab8a in complex with the phospho-Rab binding domain of RILPL2
To Be Published
6GQT
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BU of 6gqt by Molmil
KRAS-169 Q61H GPPNHP + PPIN-2
Descriptor: CITRIC ACID, GTPase KRas, MAGNESIUM ION, ...
Authors:Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
Deposit date:2018-06-08
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5YY1
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BU of 5yy1 by Molmil
Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739
Descriptor: 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, ...
Authors:Swaminathan, S, Thakur, M.K, Kandan, S, Gautam, A, Kanavalli, M, Simhadri, P, Gosu, R.
Deposit date:2017-12-07
Release date:2018-04-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739
To Be Published
7G93
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BU of 7g93 by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1565771450
Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide, ...
Authors:Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-06-22
Release date:2023-07-12
Method:X-RAY DIFFRACTION (1.693 Å)
Cite:ARHGEF2 PanDDA analysis group deposition
To Be Published

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