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5C1S
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BU of 5c1s by Molmil
Crystal structure of the GDP-bound fast hydrolyzing mutant (V71A/K73Q) of EhRabX3 from Entamoeba histolytica
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Small GTPase EhRabX3
Authors:Srivastava, V.K, Chandra, M, Datta, S.
Deposit date:2015-06-15
Release date:2016-04-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure Analysis of Wild Type and Fast Hydrolyzing Mutant of EhRabX3, a Tandem Ras Superfamily GTPase from Entamoeba histolytica.
J.Mol.Biol., 428, 2016
5CIW
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BU of 5ciw by Molmil
Ran GDP Y39A mutant monoclinic 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 (1.75 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
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
5CIT
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BU of 5cit by Molmil
Ran GDP wild type monoclinic 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 (1.75 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
5E95
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BU of 5e95 by Molmil
Crystal Structure of Mb(NS1)/H-Ras Complex
Descriptor: GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Eguchi, R.R, Sha, F, Gupta, A, Koide, A, Koide, S.
Deposit date:2015-10-14
Release date:2016-11-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.402 Å)
Cite:Inhibition of RAS function through targeting an allosteric regulatory site.
Nat. Chem. Biol., 13, 2017
5EZ5
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BU of 5ez5 by Molmil
Crystal structure of active Rab11A (S20V) in complex with GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-11A
Authors:Shin, Y.-C, Yoon, J.H, Park, H.H.
Deposit date:2015-11-26
Release date:2016-12-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of active Rab11A (S20V) in complex with GTP
To Be Published
5F2E
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BU of 5f2e by Molmil
Crystal Structure of small molecule ARS-853 covalently bound to K-Ras G12C
Descriptor: 1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one, GLYCEROL, GLYCINE, ...
Authors:Patricelli, M.P, Janes, M.R, Li, L.-S, Hansen, R, Peters, U, Kessler, L.V, Chen, Y, Kucharski, J.M, Feng, J, Ely, T, Chen, J.H, Firdaus, S.J, Babbar, A, Ren, P, Liu, Y.
Deposit date:2015-12-01
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Selective Inhibition of Oncogenic KRAS Output with Small Molecules Targeting the Inactive State.
Cancer Discov, 6, 2016
5EZ6
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BU of 5ez6 by Molmil
Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA
Authors:Yan, Z, Ma, S, Zhang, Y, Ma, L, Wang, F, Li, J, Miao, L.
Deposit date:2015-11-26
Release date:2016-12-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA
To Be Published
6UKA
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BU of 6uka by Molmil
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
6USZ
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BU of 6usz by Molmil
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
6USX
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BU of 6usx by Molmil
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
6UT0
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BU of 6ut0 by Molmil
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:2019-10-29
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
6V6M
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BU of 6v6m by Molmil
Crystal structure of an inactive state of GMPPNP-bound RhoA
Descriptor: 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Lin, Y, Zheng, Y.
Deposit date:2019-12-05
Release date:2020-12-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structure of an inactive conformation of GTP-bound RhoA GTPase.
Structure, 29, 2021
6V6U
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BU of 6v6u by Molmil
Crystal structure of RhoA-GDP with novel Switch I conformation
Descriptor: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lin, Y, Zheng, Y.
Deposit date:2019-12-06
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Structure of an inactive conformation of GTP-bound RhoA GTPase.
Structure, 29, 2021
6V6V
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BU of 6v6v by Molmil
Crystal structure of oncogenic RhoA mutant G14V complexed with GDP
Descriptor: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lin, Y, Zheng, Y.
Deposit date:2019-12-06
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of an inactive conformation of GTP-bound RhoA GTPase.
Structure, 29, 2021
6VC8
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BU of 6vc8 by Molmil
Crystal structure of wild-type KRAS4b(1-169) in complex with GMPPNP and Mg ion
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Tran, T.H, Davies, D.R, Edwards, T.E, Simanshu, D.K.
Deposit date:2019-12-20
Release date:2021-02-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins.
Proc.Natl.Acad.Sci.USA, 119, 2022
6V5L
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BU of 6v5l by Molmil
The HADDOCK structure model of GDP KRas in complex with its allosteric inhibitor E22
Descriptor: (2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wang, X, Gupta, A.K, Prakash, P, Putkey, J.P, Gorfe, A.A.
Deposit date:2019-12-04
Release date:2019-12-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Multi target ensemble based virtual screening yields novel allosteric KRAS inhibitors at high success rate
Chemical Biology & Drug Design, 94, 2019
6WGH
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BU of 6wgh by Molmil
Crystal structure of GDP-bound NRAS with ten residues long internal tandem duplication in the switch II region
Descriptor: CITRATE ANION, GLYCEROL, GTPase NRas, ...
Authors:Dharmaiah, S, Simanshu, D.K.
Deposit date:2020-04-05
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:RASinternal tandem duplication disrupts GTPase-activating protein (GAP) binding to activate oncogenic signaling.
J.Biol.Chem., 295, 2020
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
6X1G
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BU of 6x1g by Molmil
Crystal structure of a GEF domain from the Orientia tsutsugamushi protein OtDUB in complex with Rac1
Descriptor: MAGNESIUM ION, Ras-related C3 botulinum toxin substrate 1, ULP_PROTEASE domain-containing protein
Authors:Lim, C.S, Xiong, Y.
Deposit date:2020-05-18
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a guanine nucleotide exchange factor encoded by the scrub typhus pathogen Orientia tsutsugamushi .
Proc.Natl.Acad.Sci.USA, 117, 2020
6WHE
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BU of 6whe by Molmil
Structure of phosphomimetic Rab8a GTPase (T72E) in the GTP-bound state
Descriptor: GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Waschbusch, D, Khan, A.R.
Deposit date:2020-04-08
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Dual arginine recognition of LRRK2 phosphorylated Rab GTPases.
Biophys.J., 120, 2021
6WS2
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BU of 6ws2 by Molmil
Crystal structure of KRAS-K104Q mutant, GDP-bound
Descriptor: CHLORIDE ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Tran, T.H, Simanshu, D.K.
Deposit date:2020-04-30
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Allosteric regulation of switch-II domain controls KRAS oncogenicity.
Cancer Res., 2023
6WS4
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BU of 6ws4 by Molmil
Crystal structure of KRAS-G12D/K104Q mutant, GDP-bound
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Tran, T.H, Simanshu, D.K.
Deposit date:2020-04-30
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Allosteric regulation of switch-II domain controls KRAS oncogenicity.
Cancer Res., 2023
2F9L
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BU of 2f9l by Molmil
3D structure of inactive human Rab11b GTPase
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAB11B, ...
Authors:Scapin, S.M.N, Guimaraes, B.G, Zanchin, N.I.T.
Deposit date:2005-12-06
Release date:2006-04-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The crystal structure of the small GTPase Rab11b reveals critical differences relative to the Rab11a isoform.
J.Struct.Biol., 154, 2006
2FE4
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BU of 2fe4 by Molmil
The crystal structure of human neuronal Rab6B in its inactive GDP-bound form
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NITRATE ION, ...
Authors:Garcia-Saez, I, Tcherniuk, F, Kozielski, F.
Deposit date:2005-12-15
Release date:2006-07-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of human neuronal Rab6B in the active and inactive form.
Acta Crystallogr.,Sect.D, 62, 2006

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