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PDB: 346 results

5VQ8
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BU of 5vq8 by Molmil
Crystal structure of human WT-KRAS in complex with GDP (EDTA soaked)
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A.
Deposit date:2017-05-08
Release date:2017-12-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras.
Acta Crystallogr D Struct Biol, 73, 2017
5UFE
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BU of 5ufe by Molmil
Wild-type K-Ras(GNP)/R11.1.6 complex
Descriptor: CADMIUM ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Parker, J.A, Mattos, C.
Deposit date:2017-01-04
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:An engineered protein antagonist of K-Ras/B-Raf interaction.
Sci Rep, 7, 2017
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
7LC1
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BU of 7lc1 by Molmil
Crystal Structure of KRAS4b (GMPPNP-bound) in complex with the RBD-PH domains of SIN1
Descriptor: Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Dharmaiah, S, Simanshu, D.K.
Deposit date:2021-01-09
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:RAS interaction with Sin1 is dispensable for mTORC2 assembly and activity.
Proc.Natl.Acad.Sci.USA, 118, 2021
8QW7
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BU of 8qw7 by Molmil
Crystal Structure of compound 4 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB
Descriptor: (2S,4R)-1-[(2R)-2-[3-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Zollman, D, Farnaby, W, Ciulli, A.
Deposit date:2023-10-18
Release date:2023-12-06
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Targeting cancer with small molecule pan-KRAS degraders
Science, 2024
8WUL
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BU of 8wul by Molmil
Crystal structure of affinity enhanced TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK)
Descriptor: Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen, ...
Authors:Zhang, M.Y, Luo, L.J, Xu, W, Guan, F.H, Wang, X.Y, Zhu, P, Zhang, J.H, Zhou, X.Y, Wang, F, Ye, S.
Deposit date:2023-10-20
Release date:2024-05-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen.
Commun Biol, 7, 2024
6EPO
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BU of 6epo by Molmil
RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F3
Descriptor: 3-(4-chlorophenyl)propan-1-amine, GLYCEROL, GTPase KRas, ...
Authors:Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V.
Deposit date:2017-10-12
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6EPP
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BU of 6epp by Molmil
RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F4
Descriptor: GLYCEROL, GTPase KRas, Son of sevenless homolog 1, ...
Authors:Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V.
Deposit date:2017-10-12
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
1N4Q
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BU of 1n4q by Molmil
Protein Geranylgeranyltransferase type-I Complexed with a GGPP Analog and a KKKSKTKCVIL Peptide
Descriptor: 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE, CHLORIDE ION, Fusion protein consisting of transforming protein p21b and Ras related protein Rap-2b, ...
Authors:Taylor, J.S, Reid, T.S, Casey, P.J, Beese, L.S.
Deposit date:2002-11-01
Release date:2003-11-18
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of mammalian protein geranylgeranyltransferase type-I
EMBO J., 22, 2003
8AFC
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BU of 8afc by Molmil
CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 12
Descriptor: 2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Boettcher, J, Kessler, D.
Deposit date:2022-07-16
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
8F0M
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BU of 8f0m by Molmil
Monobody 12D5 bound to KRAS(G12D)
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
Authors:Hattori, T, Glasser, E, Akkapeddi, P, Ketavarapu, G, Teng, K.W, Koide, A, Koide, S.
Deposit date:2022-11-03
Release date:2023-07-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Exploring switch II pocket conformation of KRAS(G12D) with mutant-selective monobody inhibitors.
Proc.Natl.Acad.Sci.USA, 120, 2023
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
6XHB
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BU of 6xhb by Molmil
Crystal Structure of wild-type KRAS (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF (crystal form II)
Descriptor: CHLORIDE ION, GLYCEROL, GTPase KRas, ...
Authors:Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K.
Deposit date:2020-06-18
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
6EPM
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BU of 6epm by Molmil
Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F1
Descriptor: (1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine, GLYCEROL, GTPase KRas, ...
Authors:Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V.
Deposit date:2017-10-12
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6EPN
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BU of 6epn by Molmil
Ras guanine exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F2
Descriptor: 1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V.
Deposit date:2017-10-12
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
7C40
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BU of 7c40 by Molmil
MgGDP bound KRAS G12V
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Han, C.W, Jeong, M.S, Jang, S.B.
Deposit date:2020-05-14
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.516 Å)
Cite:A H-REV107 Peptide Inhibits Tumor Growth and Interacts Directly with Oncogenic KRAS Mutants.
Cancers (Basel), 12, 2020
8EZG
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BU of 8ezg by Molmil
Monobody 12D1 bound to KRAS(G12D)
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Hattori, T, Glasser, E, Akkapeddi, P, Ketavarapu, G, Teng, K.W, Koide, A, Koide, S.
Deposit date:2022-10-31
Release date:2023-07-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Exploring switch II pocket conformation of KRAS(G12D) with mutant-selective monobody inhibitors.
Proc.Natl.Acad.Sci.USA, 120, 2023
6V6F
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BU of 6v6f by Molmil
Crystal structure of Q61L KRAS(GMPPNP)-NF1(GRD)-SPRED1(EVH1) complex
Descriptor: FORMIC ACID, GTPase KRas, MAGNESIUM ION, ...
Authors:Yan, W, Simanshu, D.K.
Deposit date:2019-12-05
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.542 Å)
Cite:Structural Insights into the SPRED1-Neurofibromin-KRAS Complex and Disruption of SPRED1-Neurofibromin Interaction by Oncogenic EGFR.
Cell Rep, 32, 2020
6ASA
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BU of 6asa by Molmil
KRAS mutant-D33E in GDP-bound
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Lu, J, Westover, K.
Deposit date:2017-08-24
Release date:2018-01-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.545 Å)
Cite:KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation.
Biochemistry, 57, 2018
6EPL
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BU of 6epl by Molmil
Ras guanine exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C)
Descriptor: GLYCEROL, GTPase KRas, Son of sevenless homolog 1
Authors:Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Briem, H, Petersen, K, Badock, V.
Deposit date:2017-10-12
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
8DVG
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BU of 8dvg by Molmil
Structure of KRAS WT(7-16)-HLA-A*03:01
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, HLA class I histocompatibility antigen, ...
Authors:Wright, K.M, Miller, M, Gabelli, S.B.
Deposit date:2022-07-28
Release date:2023-07-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:Hydrophobic interactions dominate the recognition of a KRAS G12V neoantigen.
Nat Commun, 14, 2023
6FA2
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BU of 6fa2 by Molmil
Antibody derived (Abd-5) small molecule binding to KRAS.
Descriptor: 4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide, GTPase KRas, MAGNESIUM ION, ...
Authors:Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H.
Deposit date:2017-12-15
Release date:2018-09-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
1N4S
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BU of 1n4s by Molmil
Protein Geranylgeranyltransferase type-I Complexed with GGPP and a Geranylgeranylated KKKSKTKCVIL Peptide Product
Descriptor: CHLORIDE ION, Fusion protein consisting of transforming protein p21b and Ras related protein Rap-2b, GERAN-8-YL GERAN, ...
Authors:Taylor, J.S, Reid, T.S, Casey, P.J, Beese, L.S.
Deposit date:2002-11-01
Release date:2003-11-18
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of mammalian protein geranylgeranyltransferase type-I
EMBO J., 22, 2003
8T75
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BU of 8t75 by Molmil
Crystal Structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD-CRD)
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Whitley, M.J, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
1N4P
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BU of 1n4p by Molmil
Protein Geranylgeranyltransferase type-I Complexed with Geranylgeranyl Diphosphate
Descriptor: CHLORIDE ION, Fusion protein consisting of transforming protein p21b and Ras related protein Rap-2b, GERAN-8-YL GERAN, ...
Authors:Taylor, J.S, Reid, T.S, Casey, P.J, Beese, L.S.
Deposit date:2002-11-01
Release date:2003-11-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of mammalian protein geranylgeranyltransferase type-I
EMBO J., 22, 2003

224931

数据于2024-09-11公开中

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