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6P8W
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BU of 6p8w by Molmil
Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor.
Descriptor: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mohr, C.
Deposit date:2019-06-08
Release date:2019-08-28
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.
Acs Med.Chem.Lett., 10, 2019
6PGP
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BU of 6pgp by Molmil
Crystal structure of human KRAS G12C covalently bound to a quinazolinone inhibitor
Descriptor: 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one, CALCIUM ION, GTPase KRas, ...
Authors:Mohr, C, Whittington, D.A.
Deposit date:2019-06-24
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of a Covalent Inhibitor of KRASG12C(AMG 510) for the Treatment of Solid Tumors.
J.Med.Chem., 63, 2020
6P8Y
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BU of 6p8y by Molmil
Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor.
Descriptor: 2-[5-bromo-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mohr, C.
Deposit date:2019-06-08
Release date:2019-08-28
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.
Acs Med.Chem.Lett., 10, 2019
6P8X
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BU of 6p8x by Molmil
Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor.
Descriptor: 2-[4-bromo-2-(3-phenyl-2,5-dihydro-1H-pyrrole-1-carbonyl)phenoxy]-N-(1-propanoylazetidin-3-yl)acetamide, CALCIUM ION, GTPase KRas, ...
Authors:Mohr, C.
Deposit date:2019-06-08
Release date:2019-08-28
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.
Acs Med.Chem.Lett., 10, 2019
6PQ3
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BU of 6pq3 by Molmil
Crystal structure of GDP-bound KRAS with ten residues long internal tandem duplication in the switch II region
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Dharmaiah, S, Chan, A.H, Tran, T.H, Simanshu, D.K.
Deposit date:2019-07-08
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:RASinternal tandem duplication disrupts GTPase-activating protein (GAP) binding to activate oncogenic signaling.
J.Biol.Chem., 295, 2020
8B78
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BU of 8b78 by Molmil
KRasG12C ligand complex
Descriptor: 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Phillips, C, Breed, J.
Deposit date:2022-09-29
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration.
J.Med.Chem., 66, 2023
8B6I
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BU of 8b6i by Molmil
KRasG12C ligand complex
Descriptor: 1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Phillips, C, Breed, J.
Deposit date:2022-09-27
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration.
J.Med.Chem., 66, 2023
8BWG
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BU of 8bwg by Molmil
HRas (1-166) Y64 phosphorylation
Descriptor: GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2022-12-06
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
8BE3
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BU of 8be3 by Molmil
Crystal structure of KRasG12V-Nanobody84
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ...
Authors:Fischer, B, Wohlkonig, A, Steyaert, J.
Deposit date:2022-10-21
Release date:2023-11-01
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Allosteric nanobodies to study the interactions between SOS1 and RAS.
Nat Commun, 15, 2024
8BLR
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BU of 8blr by Molmil
G13D mutant of KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation
Descriptor: GTPase KRas, N-terminally processed, GUANOSINE-5'-DIPHOSPHATE
Authors:Moche, M, Jungholm, O, Strandback, E, Ampah-Korsah, H, Nyman, T, Orwar, O.
Deposit date:2022-11-10
Release date:2024-05-22
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Novel druggable space in human KRAS G13D discovered using structural bioinformatics and a P-loop targeting monoclonal antibody.
Sci Rep, 14, 2024
2N46
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BU of 2n46 by Molmil
EC-NMR Structure of Human H-RasT35S mutant protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data
Descriptor: GTPase HRas
Authors:Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-06-17
Release date:2015-07-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015
6Q21
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BU of 6q21 by Molmil
MOLECULAR SWITCH FOR SIGNAL TRANSDUCTION: STRUCTURAL DIFFERENCES BETWEEN ACTIVE AND INACTIVE FORMS OF PROTOONCOGENIC RAS PROTEINS
Descriptor: C-H-RAS P21 PROTEIN CATALYTIC DOMAIN, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Authors:Kim, S.-H.
Deposit date:1992-07-27
Release date:1992-07-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular switch for signal transduction: structural differences between active and inactive forms of protooncogenic ras proteins.
Science, 247, 1990
2N1B
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BU of 2n1b by Molmil
NMR solution structure of nucleotide-free Ran GTPase
Descriptor: GTP-binding nuclear protein Ran
Authors:Bacot-Davis, V.R, Palmenberg, A.C.
Deposit date:2015-03-26
Release date:2016-04-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR Structure of Ran GTPase Determines C-terminal Tail Conformational Dynamics.
To be Published
8CNN
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BU of 8cnn by Molmil
BeF3 Phospho-HRas GSA complex
Descriptor: ACETATE ION, BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2023-02-23
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
8CNJ
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BU of 8cnj by Molmil
HRas(1-166) in complex with GDP and BeF3-
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BERYLLIUM TRIFLUORIDE ION, GTPase HRas, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2023-02-23
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
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
6QUU
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BU of 6quu by Molmil
Crystal Structure of KRAS-G12D in complex with GMP-PCP
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Authors:Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B.
Deposit date:2019-02-28
Release date:2019-07-31
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.477 Å)
Cite:KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
2O52
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BU of 2o52 by Molmil
Crystal structure of human RAB4B in complex with GDP
Descriptor: BETA-MERCAPTOETHANOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhu, H, Tempel, W, Wang, J, Shen, Y, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-12-05
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human RAB4B in complex with GDP
To be Published
2OIL
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BU of 2oil by Molmil
Crystal structure of human RAB25 in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-25, ...
Authors:Zhu, H, Wang, J, Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2007-01-11
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human RAB25 in complex with GDP
To be Published
2NZJ
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BU of 2nzj by Molmil
The crystal structure of REM1 in complex with GDP
Descriptor: CHLORIDE ION, GTP-binding protein REM 1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Turnbull, A.P, Papagrigoriou, E, Ugochukwu, E, Elkins, J.M, Soundararajan, M, Yang, X, Gorrec, F, Umeano, C, Salah, E, Burgess, N, Johansson, C, Berridge, G, Gileadi, O, Bray, J, Marsden, B, Watts, S, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2006-11-23
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of REM1 in complex with GDP
To be Published
8CPR
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BU of 8cpr by Molmil
G13D mutant of KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation crystallized in sodium potassium phosphate buffer
Descriptor: GTPase KRas, N-terminally processed, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Moche, M, Jungholm, O, Strandback, E, Ampah-Korsah, H, Nyman, T, Orwar, O.
Deposit date:2023-03-03
Release date:2024-06-12
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel druggable space in human KRAS G13D discovered using structural bioinformatics and a P-loop targeting monoclonal antibody.
Sci Rep, 14, 2024
6QUV
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BU of 6quv by Molmil
Crystal Structure of KRAS-G12D in complex with GMP-PCP and compound 15R
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, GTPase KRas, MAGNESIUM ION, ...
Authors:Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B.
Deposit date:2019-02-28
Release date:2019-07-31
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.475 Å)
Cite:KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
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:2024-05-15
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
2OCB
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BU of 2ocb by Molmil
Crystal structure of human RAB9B in complex with a GTP analogue
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-9B, ...
Authors:Hong, B, Shen, L, Walker, J.R, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-12-20
Release date:2007-01-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human RAB9B in complex with a GTP analogue
To be Published
8CX5
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BU of 8cx5 by Molmil
Crystal Structure of small molecule alpha,beta-ketoamide 4 covalently bound to K-Ras(G12R)
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ...
Authors:Zhang, Z, Morstein, J, Ecker, A, Guiley, K.Z, Shokat, K.M.
Deposit date:2022-05-19
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Chemoselective Covalent Modification of K-Ras(G12R) with a Small Molecule Electrophile.
J.Am.Chem.Soc., 144, 2022

225946

數據於2024-10-09公開中

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