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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
6ZIR
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BU of 6zir by Molmil
CRYSTAL STRUCTURE OF NRAS (C118S) IN COMPLEX WITH GDP AND COMPOUND 18
Descriptor: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-DIPHOSPHATE, ...
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 (1.9 Å)
Cite:Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
6ZJ0
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BU of 6zj0 by Molmil
CRYSTAL STRUCTURE OF HRAS-G12D IN COMPLEX WITH GCP AND COMPOUND 18
Descriptor: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase HRas, 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 (1.763 Å)
Cite:Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
6ZL3
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BU of 6zl3 by Molmil
CRYSTAL STRUCTURE OF HRAS IN COMPLEX WITH COMPOUND 18 and GDP
Descriptor: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase HRas, 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 (2.031 Å)
Cite:Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
7ACF
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BU of 7acf by Molmil
CRYSTAL STRUCTURE OF CRYSTAL FORM 2 OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747
Descriptor: (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
Authors:Kessler, D.
Deposit date:2020-09-10
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Reply to Tran et al.: Dimeric KRAS protein-protein interaction stabilizers.
Proc. Natl. Acad. Sci. U.S.A., 117, 2020
7ACA
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BU of 7aca by Molmil
CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747
Descriptor: (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, 1,2-ETHANEDIOL, GTPase KRas, ...
Authors:Kessler, D.
Deposit date:2020-09-10
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747
To Be Published
7ACQ
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BU of 7acq by Molmil
CRYSTAL STRUCTURE OF INACTIVE KRAS G12D (GDP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI-5747
Descriptor: (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Kessler, D.
Deposit date:2020-09-11
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:CRYSTAL STRUCTURE OF INACTIVE KRAS G12D (GDP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI00925747
To Be Published
721P
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BU of 721p by Molmil
THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES
Descriptor: H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Krengel, U, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F.
Deposit date:1991-06-06
Release date:1994-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
7ACH
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BU of 7ach by Molmil
CRYSTAL STRUCTURE OF ACTIVE KRAS G12D (GPPCP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI-5747
Descriptor: (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
Authors:Kessler, D.
Deposit date:2020-09-10
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:CRYSTAL STRUCTURE OF ACTIVE KRAS G12D (GPPCP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI-5747
To Be Published
7A1Y
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BU of 7a1y by Molmil
KRASG12C GDP form in complex with Cpd2
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Mathieu, M, Steier, V.
Deposit date:2020-08-14
Release date:2021-10-13
Last modified:2022-01-12
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:KRAS G12C fragment screening renders new binding pockets.
Small Gtpases, 13, 2022
7A1X
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BU of 7a1x by Molmil
KRASG12C GDP form in complex with Cpd1
Descriptor: 3-(imidazol-1-ylmethyl)-1~{H}-indole, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mathieu, M, Steier, V.
Deposit date:2020-08-14
Release date:2021-10-13
Last modified:2022-01-12
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:KRAS G12C fragment screening renders new binding pockets.
Small Gtpases, 13, 2022
7A1W
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BU of 7a1w by Molmil
KRASG12C GDP form in complex with Cpd3
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ...
Authors:Mathieu, M, Steier, V.
Deposit date:2020-08-14
Release date:2021-10-13
Last modified:2022-01-12
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:KRAS G12C fragment screening renders new binding pockets.
Small Gtpases, 13, 2022
7A47
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BU of 7a47 by Molmil
KRASG12C GDP form in complex with Cpd4
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ~{N}-[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-3-[[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-propanoyl-amino]propanamide
Authors:Bertrand, T, Steier, V.
Deposit date:2020-08-19
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:KRAS G12C fragment screening renders new binding pockets.
Small Gtpases, 13, 2022
7BTA
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BU of 7bta by Molmil
Crystal structure of Rheb D60K mutant bound to GDP
Descriptor: GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION
Authors:Zhang, C, Zhang, T, Ding, J.
Deposit date:2020-03-31
Release date:2020-06-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis for the functions of dominantly active Y35N and inactive D60K Rheb mutants in mTORC1 signaling.
J Mol Cell Biol, 12, 2020
7BTC
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BU of 7btc by Molmil
Crystal structure of Rheb Y35N mutant bound to GDP
Descriptor: GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE
Authors:Zhang, C, Zhang, T, Ding, J.
Deposit date:2020-04-01
Release date:2020-06-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Molecular basis for the functions of dominantly active Y35N and inactive D60K Rheb mutants in mTORC1 signaling.
J Mol Cell Biol, 12, 2020
7BTD
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BU of 7btd by Molmil
Crystal structure of Rheb Y35N mutant bound to GppNHp
Descriptor: GTP-binding protein Rheb, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Zhang, C, Zhang, T, Ding, J.
Deposit date:2020-04-01
Release date:2020-06-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for the functions of dominantly active Y35N and inactive D60K Rheb mutants in mTORC1 signaling.
J Mol Cell Biol, 12, 2020
8T71
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BU of 8t71 by Molmil
Crystal Structure of WT KRAS4a with bound GDP and Mg ion
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T72
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BU of 8t72 by Molmil
Crystal structure of WT KRAS4a with bound GMPPNP and Mg ion
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T73
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BU of 8t73 by Molmil
Crystal structure of KRAS4a-R151G with bound GDP and Mg ion
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T4V
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BU of 8t4v by Molmil
Crystal structure of compound 1 bound to K-Ras(G12D)
Descriptor: 4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Zhang, Z, Zheng, Q, Guiley, K.Z, Shokat, K.M.
Deposit date:2023-06-10
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Strain-release alkylation of Asp12 enables mutant selective targeting of K-Ras-G12D.
Nat.Chem.Biol., 2024
3GJ0
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BU of 3gj0 by Molmil
Crystal structure of human RanGDP
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Partridge, J.R, Schwartz, T.U.
Deposit date:2009-03-07
Release date:2009-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystallographic and Biochemical Analysis of the Ran-binding Zinc Finger Domain.
J.Mol.Biol., 391, 2009
1T91
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BU of 1t91 by Molmil
crystal structure of human small GTPase Rab7(GTP)
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-7
Authors:Song, H, Hong, W, Wu, M, Wang, T.
Deposit date:2004-05-14
Release date:2005-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for recruitment of RILP by small GTPase Rab7.
Embo J., 24, 2005
3GFT
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BU of 3gft by Molmil
Human K-Ras (Q61H) in complex with a GTP analogue
Descriptor: CITRIC ACID, GTPase KRas, MAGNESIUM ION, ...
Authors:Tong, Y, Tempel, W, Shen, L, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-02-27
Release date:2009-03-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Human K-Ras in complex with a GTP analogue
To be Published
6P0K
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BU of 6p0k by Molmil
Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds.
Descriptor: 4-[(6-chloropyridin-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 (1.49 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
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

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