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8QDT
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NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline
Descriptor: 2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline, RASK GTPase (Fragment)
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-30
Release date:2024-09-11
Last modified:2025-05-07
Method:SOLUTION NMR
Cite:NMR2-Based Drug Discovery Pipeline Presented on the Oncogenic Protein KRAS.
J.Am.Chem.Soc., 147, 2025
8QEI
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BU of 8qei by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide
Descriptor: RASK GTPase (Fragment), ~{N}-(3-chlorophenyl)-2-pyrrolidin-1-yl-ethanamide
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-31
Release date:2024-09-11
Last modified:2025-05-07
Method:SOLUTION NMR
Cite:NMR2-Based Drug Discovery Pipeline Presented on the Oncogenic Protein KRAS.
J.Am.Chem.Soc., 147, 2025
8QDS
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BU of 8qds by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with N-(4-fluorophenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
Descriptor: 2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide, RASK GTPase (Fragment)
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-30
Release date:2024-09-11
Last modified:2025-05-07
Method:SOLUTION NMR
Cite:NMR2-Based Drug Discovery Pipeline Presented on the Oncogenic Protein KRAS.
J.Am.Chem.Soc., 147, 2025
8QDP
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BU of 8qdp by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide
Descriptor: RASK GTPase (Fragment), ~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-30
Release date:2024-09-11
Last modified:2025-05-07
Method:SOLUTION NMR
Cite:NMR2-Based Drug Discovery Pipeline Presented on the Oncogenic Protein KRAS.
J.Am.Chem.Soc., 147, 2025
8QDW
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BU of 8qdw by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
Descriptor: N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine, RASK GTPase (Fragment)
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-30
Release date:2024-09-11
Last modified:2025-05-07
Method:SOLUTION NMR
Cite:NMR2-Based Drug Discovery Pipeline Presented on the Oncogenic Protein KRAS.
J.Am.Chem.Soc., 147, 2025
8QE7
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BU of 8qe7 by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 2-(methylsulfonylmethyl)-1H-benzimidazole
Descriptor: 2-[(methylsulfonyl)methyl]-1H-benzimidazole, RASK GTPase (Fragment)
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-30
Release date:2024-09-11
Last modified:2025-05-07
Method:SOLUTION NMR
Cite:NMR2-Based Drug Discovery Pipeline Presented on the Oncogenic Protein KRAS.
J.Am.Chem.Soc., 147, 2025
6Q82
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BU of 6q82 by Molmil
Crystal structure of the biportin Pdr6 in complex with RanGTP
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, Importin beta-like protein KAP122, ...
Authors:Aksu, M, Vera-Rodriguez, A, Trakhanov, S, Gorlich, D.
Deposit date:2018-12-14
Release date:2019-05-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.994 Å)
Cite:Structural basis for the nuclear import and export functions of the biportin Pdr6/Kap122.
J.Cell Biol., 218, 2019
8FG3
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BU of 8fg3 by Molmil
HRAS R97L Crystal Form 2
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Fetics, S, Johnson, C.W, Mattos, C.
Deposit date:2022-12-12
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
3KKQ
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BU of 3kkq by Molmil
Crystal structure of M-Ras P40D in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein M-Ras
Authors:Muraoka, S, Shima, F, Liao, J, Ijiri, Y, Matsumoto, K, Ye, M, Inoue, T, Kataoka, T.
Deposit date:2009-11-06
Release date:2010-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural basis for conformational dynamics of GTP-bound Ras protein
J.Biol.Chem., 285, 2010
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
8FMI
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BU of 8fmi by Molmil
Crystal structure of human KRAS at 1.12 A
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION
Authors:Brenner, R, Landgraf, A, Gonzalez-Gutierrez, G, Bum-Erdene, K, Meroueh, S.O.
Deposit date:2022-12-23
Release date:2023-11-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Crystal Packing Reveals a Potential Autoinhibited KRAS Dimer Interface and a Strategy for Small-Molecule Inhibition of RAS Signaling.
Biochemistry, 62, 2023
8FMK
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BU of 8fmk by Molmil
Crystal structure of human KRAS with extended switch I loop
Descriptor: CHLORIDE ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Brenner, R, Landgraf, A, Gonzalez-Gutierrez, G, Bum-Erdene, K, Meroueh, S.O.
Deposit date:2022-12-23
Release date:2023-11-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal Packing Reveals a Potential Autoinhibited KRAS Dimer Interface and a Strategy for Small-Molecule Inhibition of RAS Signaling.
Biochemistry, 62, 2023
8FMJ
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BU of 8fmj by Molmil
Crystal structure of human KRAS in space group R32
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Brenner, R, Landgraf, A, Gonzalez-Gutierrez, G, Bum-Erdene, K, Meroueh, S.O.
Deposit date:2022-12-23
Release date:2023-11-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Crystal Packing Reveals a Potential Autoinhibited KRAS Dimer Interface and a Strategy for Small-Molecule Inhibition of RAS Signaling.
Biochemistry, 62, 2023
8FJI
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BU of 8fji by Molmil
Crystal structure of RalA in a covalent complex with SOF-367
Descriptor: 8-[fluoro(dihydroxy)-lambda~4~-sulfanyl]-N-(2-methoxypyridin-3-yl)-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
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Exploring Covalent Bond Formation at Tyr-82 for Inhibition of Ral GTPase Activation.
Chemmedchem, 18, 2023
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
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Exploring Covalent Bond Formation at Tyr-82 for Inhibition of Ral GTPase Activation.
Chemmedchem, 18, 2023
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
8FPW
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BU of 8fpw by Molmil
Crystal structure of tumor related RhoA mutant A161V in complex with GDP
Descriptor: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lin, Y, Zheng, Y.
Deposit date:2023-01-05
Release date:2024-06-05
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Tumor-derived RHOA mutants interact with effectors in the GDP-bound state.
Nat Commun, 15, 2024
8FPX
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BU of 8fpx by Molmil
Crystal structure of tumor related RhoA mutant A161P in complex with GDP
Descriptor: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lin, Y, Zheng, Y.
Deposit date:2023-01-05
Release date:2024-06-05
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Tumor-derived RHOA mutants interact with effectors in the GDP-bound state.
Nat Commun, 15, 2024
3KKO
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BU of 3kko by Molmil
Crystal structure of M-Ras P40D/D41E/L51R in complex with GppNHp
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein M-Ras, ...
Authors:Muraoka, S, Shima, F, Liao, J, Ijiri, Y, Matsumoto, K, Ye, M, Inoue, T, Kataoka, T.
Deposit date:2009-11-06
Release date:2010-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for conformational dynamics of GTP-bound Ras protein
J.Biol.Chem., 285, 2010
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
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
8G47
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BU of 8g47 by Molmil
KRAS G12C complex with GDP and AMG 510 imaged on a cryo-EM imaging scaffold
Descriptor: AMG 510 (bound form), GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Castells-Graells, R, Sawaya, M.R, Yeates, T.O.
Deposit date:2023-02-08
Release date:2023-08-09
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Cryo-EM structure determination of small therapeutic protein targets at 3 angstrom -resolution using a rigid imaging scaffold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8G42
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BU of 8g42 by Molmil
KRAS G12C complex with GDP imaged on a cryo-EM imaging scaffold
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Castells-Graells, R, Sawaya, M.R, Yeates, T.O.
Deposit date:2023-02-08
Release date:2023-08-09
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Cryo-EM structure determination of small therapeutic protein targets at 3 angstrom -resolution using a rigid imaging scaffold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8G4H
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BU of 8g4h by Molmil
KRAS G13C complex with GDP imaged on a cryo-EM imaging scaffold
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Castells-Graells, R, Sawaya, M.R, Yeates, T.O.
Deposit date:2023-02-09
Release date:2023-08-09
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Cryo-EM structure determination of small therapeutic protein targets at 3 angstrom -resolution using a rigid imaging scaffold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8G4F
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BU of 8g4f by Molmil
KRAS G12V complex with GDP imaged on a cryo-EM imaging scaffold
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Castells-Graells, R, Sawaya, M.R, Yeates, T.O.
Deposit date:2023-02-09
Release date:2023-08-09
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Cryo-EM structure determination of small therapeutic protein targets at 3 angstrom -resolution using a rigid imaging scaffold.
Proc.Natl.Acad.Sci.USA, 120, 2023

238582

數據於2025-07-09公開中

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