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2RGC
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BU of 2rgc by Molmil
Crystal structure of H-RasQ61V-GppNHp
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Buhrman, G, Wink, G, Mattos, C.
Deposit date:2007-10-03
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Transformation Efficiency of RasQ61 Mutants Linked to Structural Features of the Switch Regions in the Presence of Raf.
Structure, 15, 2007
8JGD
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BU of 8jgd by Molmil
GDP-bound KRAS G12C in complex with YK-8S
Descriptor: (2~{S})-1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxidanyl-propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Zhang, Z.M, Wang, R.L.
Deposit date:2023-05-20
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.60037053 Å)
Cite:Simultaneous Covalent Modification of K-Ras(G12D) and K-Ras(G12C) with Tunable Oxirane Electrophiles.
J.Am.Chem.Soc., 145, 2023
6WGN
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BU of 6wgn by Molmil
Crystal structure of K-Ras(G12D) GppNHp bound to cyclic peptide ligand KD2
Descriptor: Cyclic Peptide KD2, GTPase KRas, MAGNESIUM ION, ...
Authors:Zhang, Z, Gao, R, Hu, Q, Peacock, H, Peacock, D.M, Shokat, K.M, Suga, H.
Deposit date:2020-04-06
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:GTP-State-Selective Cyclic Peptide Ligands of K-Ras(G12D) Block Its Interaction with Raf.
Acs Cent.Sci., 6, 2020
4L9S
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BU of 4l9s by Molmil
Crystal Structure of H-Ras G12C, GDP-bound
Descriptor: CALCIUM ION, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
Deposit date:2013-06-18
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.606 Å)
Cite:K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
7R0M
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BU of 7r0m by Molmil
KRasG12C in complex with GDP and JDQ443
Descriptor: 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Ostermann, N.
Deposit date:2022-02-02
Release date:2022-04-27
Last modified:2022-06-15
Method:X-RAY DIFFRACTION (1.611 Å)
Cite:Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
6QUX
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BU of 6qux by Molmil
Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 15
Descriptor: (6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one, 1,2-ETHANEDIOL, GTPase KRas, ...
Authors:Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B.
Deposit date:2019-02-28
Release date:2019-07-31
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
5VPI
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BU of 5vpi by Molmil
Crystal structure of human KRAS G12A mutant in complex with GTP
Descriptor: GTPase KRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A.
Deposit date:2017-05-05
Release date:2017-12-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.62 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
6P0N
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BU of 6p0n by Molmil
Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds.
Descriptor: 4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O.
Deposit date:2019-05-17
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
6GOM
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BU of 6gom by Molmil
KRAS-169 Q61H GPPNHP + PPIN-1
Descriptor: (6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one, CITRIC ACID, GTPase KRas, ...
Authors:Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
Deposit date:2018-06-01
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.63 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
8AFD
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BU of 8afd by Molmil
CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a
Descriptor: (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, ...
Authors:Boettcher, J, Kessler, D.
Deposit date:2022-07-16
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.633 Å)
Cite: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
5O33
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BU of 5o33 by Molmil
A structure of the GEF Kalirin DH1 domain in complex with the small GTPase Rac1
Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, Kalirin, ...
Authors:Gray, J, Krojer, T, Talon, R, Fairhead, M, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P, von Delft, F.
Deposit date:2017-05-23
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A structure of the GEF Kalirin DH1 domain in complex with the small GTPase Rac1
To Be Published
6TAM
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BU of 6tam by Molmil
X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 3)
Descriptor: 7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Friberg, A, Nguyen, D.
Deposit date:2019-10-30
Release date:2020-04-08
Last modified:2020-06-03
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C.
Chemmedchem, 15, 2020
5WHD
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BU of 5whd by Molmil
Crystal structure of KRas G12V/D38P, bound to GDP
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE
Authors:Shim, S.Y, McGee, J.H, Lee, S.-J, Verdine, G.L.
Deposit date:2017-07-16
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Exceptionally high-affinity Ras binders that remodel its effector domain.
J. Biol. Chem., 293, 2018
6ZL5
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BU of 6zl5 by Molmil
CRYSTAL STRUCTURE OF KRAS-G12D(C118S) IN COMPLEX WITH BI-2852 AND GDP
Descriptor: (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Kessler, D, Fischer, G, Boettcher, J.
Deposit date:2020-06-30
Release date:2020-08-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.645 Å)
Cite:Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
6V9N
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BU of 6v9n by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 4-phenoxybenzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-12-13
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
6V9M
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BU of 6v9m by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-12-13
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
3CON
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BU of 3con by Molmil
Crystal structure of the human NRAS GTPase bound with GDP
Descriptor: GTPase NRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors: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)
Deposit date:2008-03-28
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Crystal structure of the human NRAS GTPase bound with GDP.
To be Published
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
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
8T74
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BU of 8t74 by Molmil
Crystal structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD)
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Whitley, M.J, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
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
7MO2
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BU of 7mo2 by Molmil
Crystal Structure of the ZnF2 of Nucleoporin NUP153 in complex with Ran-GDP
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2022-06-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
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
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
5CIQ
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BU of 5ciq by Molmil
Ran GDP wild type tetragonal crystal form
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Vetter, I.R, Brucker, S.
Deposit date:2015-07-13
Release date:2015-09-09
Last modified:2015-10-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy.
J.Biol.Chem., 290, 2015

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