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6P0O
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BU of 6p0o by Molmil
Crystal structure of GDP-bound human RalA
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A
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 (1.54 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
1N6P
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BU of 1n6p by Molmil
Crystal Structure of Human Rab5a A30E mutant complex with GppNHp
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-5A
Authors:Zhu, G, Liu, J, Terzyan, S, Zhai, P, Li, G, Zhang, X.C.
Deposit date:2002-11-11
Release date:2002-11-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:High Resolution Crystal Structures of Human Rab5a and Five Mutants with Substitutions in the Catalytically Important Phosphate-Binding Loop
J.Biol.Chem., 278, 2003
8FJH
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BU of 8fjh by Molmil
Crystal structure of RalA in a covalent complex with SOF-531
Descriptor: 8-[bis(oxidanyl)-$l^{3}-sulfanyl]-~{N}-(3-fluoranyl-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Landgraf, A.D, Yeh, I.-J, Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S.
Deposit date:2022-12-19
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Exploring Covalent Bond Formation at Tyr-82 for Inhibition of Ral GTPase Activation.
Chemmedchem, 18, 2023
7DPH
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BU of 7dph by Molmil
H-Ras Q61H in complex with GppNHp (state 1) after structural transition by humidity control
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Taniguchi, H, Matsumoto, S, Kawamura, T, Kumasaka, T, Kataoka, T.
Deposit date:2020-12-19
Release date:2021-07-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Oncogenic mutations Q61L and Q61H confer active form-like structural features to the inactive state (state 1) conformation of H-Ras protein.
Biochem.Biophys.Res.Commun., 565, 2021
2HEI
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BU of 2hei by Molmil
Crystal structure of human RAB5B in complex with GDP
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-5B
Authors:Hong, B, Shen, L, Wang, J, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-06-21
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of human RAB5B in complex with GDP
To be Published
1U8Y
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BU of 1u8y by Molmil
CRystal structures of Ral-GppNHp and Ral-GDP reveal two novel binding sites that are also present in Ras and Rap
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Ral-A
Authors:Nicely, N.I, Kosak, J, de Serrano, V, Mattos, C.
Deposit date:2004-08-09
Release date:2004-11-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structures of Ral-GppNHp and Ral-GDP Reveal Two Binding Sites that Are Also Present in Ras and Rap
Structure, 12, 2004
1N6K
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BU of 1n6k by Molmil
Crystal Structure of Human Rab5a A30P mutant complex with GDP and aluminum fluoride
Descriptor: ALUMINUM FLUORIDE, BETA-MERCAPTOETHANOL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Zhu, G, Liu, J, Terzyan, S, Zhai, P, Li, G, Zhang, X.C.
Deposit date:2002-11-11
Release date:2002-11-27
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:High Resolution Crystal Structures of Human Rab5a and Five Mutants with Substitutions in the Catalytically Important Phosphate-Binding Loop
J.Biol.Chem., 278, 2003
1N6R
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BU of 1n6r by Molmil
Crystal Structure of Human Rab5a A30L mutant complex with GppNHp
Descriptor: BETA-MERCAPTOETHANOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Zhu, G, Liu, J, Terzyan, S, Zhai, P, Li, G, Zhang, X.C.
Deposit date:2002-11-11
Release date:2002-11-27
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:High Resolution Crystal Structures of Human Rab5a and Five Mutants with Substitutions in the Catalytically Important Phosphate-Binding Loop
J.Biol.Chem., 278, 2003
3PIT
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BU of 3pit by Molmil
Crystal structure of M-RasD41E in complex with GppNHp (type 2)
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:2010-11-08
Release date:2011-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of M-RasD41E in complex with GppNHp (type 2)
To be Published
7MO5
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BU of 7mo5 by Molmil
Crystal Structure of the ZnF4 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:2024-05-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
6ZIO
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BU of 6zio by Molmil
CRYSTAL STRUCTURE OF NRAS (C118S) IN COMPLEX WITH GDP
Descriptor: GTPase NRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
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 (1.55 Å)
Cite:Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
1KMQ
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BU of 1kmq by Molmil
Crystal Structure of a Constitutively Activated RhoA Mutant (Q63L)
Descriptor: 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Longenecker, K, Read, P, Lin, S.-K, Somlyo, A.P, Nakamoto, R.K, Derewenda, Z.S.
Deposit date:2001-12-17
Release date:2003-05-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of a constitutively activated RhoA mutant (Q63L) at 1.55 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
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
4LHW
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BU of 4lhw by Molmil
Crystal structure of Rab8 in its active GppNHp-bound form
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Guo, Z, Hou, X.M, Goody, R.S, Itzen, A.
Deposit date:2013-07-01
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Intermediates in the Guanine Nucleotide Exchange Reaction of Rab8 Protein Catalyzed by Guanine Nucleotide Exchange Factors Rabin8 and GRAB.
J.Biol.Chem., 288, 2013
7EQ2
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BU of 7eq2 by Molmil
Crystal structure of GDP-bound Rab1a-T75D
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, COBALT HEXAMMINE(III), ...
Authors:Cao, Y.L, Gu, D.D, Gao, S.
Deposit date:2021-04-28
Release date:2022-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55090284 Å)
Cite:Aurora kinase A-mediated phosphorylation triggers structural alteration of Rab1A to enhance ER complexity during mitosis
Nat.Struct.Mol.Biol., 2024
7G95
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BU of 7g95 by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z165170770
Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, N-methyl-4-sulfamoylbenzamide, ...
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
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:ARHGEF2 PanDDA analysis group deposition
To Be Published
4M1S
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BU of 4m1s by Molmil
Crystal Structure of small molecule vinylsulfonamide 13 covalently bound to K-Ras G12C
Descriptor: GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide
Authors:Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
Deposit date:2013-08-04
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
6ASE
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BU of 6ase by Molmil
KRAS mutant-A59G in GDP-bound
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Westover, K, Lu, J.
Deposit date:2017-08-24
Release date:2018-01-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.554 Å)
Cite:KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation.
Biochemistry, 57, 2018
7RT3
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BU of 7rt3 by Molmil
Crystal Structure of KRAS G12D with compound 24 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound
Descriptor: 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
Authors:Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A.
Deposit date:2021-08-12
Release date:2021-12-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor.
J.Med.Chem., 65, 2022
5V9O
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BU of 5v9o by Molmil
KRAS G12C inhibitor
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Westover, K, Lu, J.
Deposit date:2017-03-23
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C.
Cell Chem Biol, 24, 2017
5B2Z
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BU of 5b2z by Molmil
H-Ras WT in complex with GppNHp (state 2*) before structural transition by humidity control
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Kumasaka, T, Miyano, N, Baba, S, Matsumoto, S, Kataoka, T, Shima, F.
Deposit date:2016-02-07
Release date:2016-06-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Molecular Mechanism for Conformational Dynamics of Ras-GTP Elucidated from In-Situ Structural Transition in Crystal
Sci Rep, 6, 2016
8QUG
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BU of 8qug by Molmil
KRAS-G12C in Complex with Compound 1
Descriptor: (4S)-2-azanyl-4-methyl-4-[3-[2-[(2S)-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Fischer, G, Kratochvil, B.
Deposit date:2023-10-16
Release date:2023-12-06
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Targeting cancer with small molecule pan-KRAS degraders
Science, 2024
7G8Q
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BU of 7g8q by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1269220427
Descriptor: 8-(methanesulfonyl)quinoline, 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
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.561 Å)
Cite:ARHGEF2 PanDDA analysis group deposition
To Be Published
4LYF
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BU of 4lyf by Molmil
Crystal Structure of small molecule vinylsulfonamide 8 covalently bound to K-Ras G12C
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
Authors:Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
Deposit date:2013-07-31
Release date:2013-11-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.568 Å)
Cite:K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
2BME
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BU of 2bme by Molmil
high resolution structure of GppNHp-bound human Rab4a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ...
Authors:Scheidig, A.J, Huber, S.K.
Deposit date:2005-03-13
Release date:2005-04-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:High Resolution Crystal Structures of Human Rab4A in its Active and Inactive Conformations.
FEBS Lett., 579, 2005

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