6HXU
 
 | | Crystal structure of Human RHOB Q63L in complex with GTP | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Rho-related GTP-binding protein RhoB | | Authors: | Soulie, S, Gence, R, Cabantous, S, Lajoie-Mazenc, I, Favre, G, Pedelacq, J.D. | | Deposit date: | 2018-10-18 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | A Targeted Protein Degradation Cell-Based Screening for Nanobodies Selective toward the Cellular RHOB GTP-Bound Conformation.
Cell Chem Biol, 26, 2019
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8TXH
 | | Crystal structure of KRAS G12D in complex with GDP and compound 14 | | Descriptor: | (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Chen, P, Irimia, A, Yang, Z. | | Deposit date: | 2023-08-23 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8TBG
 | | Tricomplex of RMC-7977, HRAS WT, and CypA | | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GLYCEROL, GTPase HRas, ... | | Authors: | Chen, A, Tomlinson, A.C.A, Knox, J.E, Yano, J.K. | | Deposit date: | 2023-06-28 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy
To Be Published
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8EBZ
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7R0N
 | | KRasG12C in complex with GDP and compound 2 | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ostermann, N. | | Deposit date: | 2022-02-02 | | Release date: | 2022-04-27 | | Last modified: | 2022-06-15 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
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3KKQ
 | | 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
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3X1W
 | | Ras-related protein Rap1B with GDP | | Descriptor: | CADMIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Noguchi, H, Ikegami, T, Akashi, S, Park, S.Y, Tame, J.R.H, Unzai, S. | | Deposit date: | 2014-12-02 | | Release date: | 2015-06-03 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The structure and conformational switching of Rap1B
Biochem.Biophys.Res.Commun., 462, 2015
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4Q03
 | | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | | Descriptor: | 4-bromobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | | Deposit date: | 2014-03-31 | | Release date: | 2014-09-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.201 Å) | | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
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2CLD
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7F68
 | | Crystal structure of N-ras S89D | | Descriptor: | GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Li, Y, Sun, Q. | | Deposit date: | 2021-06-24 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Crystal structure of N-ras S89D
To Be Published
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4OBE
 | | Crystal Structure of GDP-bound Human KRas | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Hunter, J.C, Gurbani, D, Chen, Z, Westover, K.D. | | Deposit date: | 2014-01-07 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C.
Proc.Natl.Acad.Sci.USA, 111, 2014
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2CL6
 | | CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH S-caged GTP | | Descriptor: | GTPASE HRAS, GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER], MAGNESIUM ION, ... | | Authors: | Klink, B.U, Goody, R.S, Scheidig, A.J. | | Deposit date: | 2006-04-26 | | Release date: | 2006-05-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | A Newly Designed Microspectrofluorometer for Kinetic Studies on Protein Crystals in Combination with X-Ray Diffraction.
Biophys.J., 91, 2006
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6QUW
 | | Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 9b | | Descriptor: | (3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole, 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: | 2019-09-25 | | Method: | X-RAY DIFFRACTION (1.242 Å) | | Cite: | KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
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2CL7
 | | CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH GTP | | Descriptor: | GTPASE HRAS, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Klink, B.U, Goody, R.S, Scheidig, A.J. | | Deposit date: | 2006-04-26 | | Release date: | 2006-05-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | A Newly Designed Microspectrofluorometer for Kinetic Studies on Protein Crystals in Combination with X-Ray Diffraction.
Biophys.J., 91, 2006
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1WMS
 | | High resolution crystal structure of human Rab9 GTPase: a novel antiviral drug target | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-9A | | Authors: | Chen, L, DiGiammarino, E, Zhou, X.E, Wang, Y, Toh, D, Hodge, T.W, Meehan, E.J. | | Deposit date: | 2004-07-16 | | Release date: | 2004-09-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | High resolution crystal structure of human Rab9 GTPase: A novel antiviral drug target
J.Biol.Chem., 279, 2004
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5WDQ
 | | H-Ras mutant L120A bound to GMP-PNP at 100K | | Descriptor: | ACETATE ION, CALCIUM ION, GTPase HRas, ... | | Authors: | Bandaru, P, Gee, C.L, Kuriyan, J. | | Deposit date: | 2017-07-05 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
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5XCO
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3X1Z
 | | Ras-related protein Rap1B(T65A) with GppNHp | | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Noguchi, H, Ikegami, T, Park, S.Y, Tame, J.R.H, Unzai, S. | | Deposit date: | 2014-12-02 | | Release date: | 2015-06-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The structure and conformational switching of Rap1B
Biochem.Biophys.Res.Commun., 462, 2015
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1CTQ
 | | STRUCTURE OF P21RAS IN COMPLEX WITH GPPNHP AT 100 K | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, PROTEIN (TRANSFORMING PROTEIN P21/H-RAS-1) | | Authors: | Scheidig, A, Burmester, C, Goody, R.S. | | Deposit date: | 1999-08-20 | | Release date: | 1999-11-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | The pre-hydrolysis state of p21(ras) in complex with GTP: new insights into the role of water molecules in the GTP hydrolysis reaction of ras-like proteins.
Structure Fold.Des., 7, 1999
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8TBK
 | | Tricomplex of RMC-7977, KRAS G12C, and CypA | | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | | Deposit date: | 2023-06-28 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy
To Be Published
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7RT1
 | | Crystal Structure of KRAS G12D with compound 15 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-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)-1-methylpyrrolidin-2-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 (1.27 Å) | | Cite: | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor.
J.Med.Chem., 65, 2022
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7T47
 | | KRAS G12D (GppCp) with MRTX-1133 | | Descriptor: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol, ACETATE ION, GLYCEROL, ... | | Authors: | Thomas, N.C, Gunn, R.J, Lawson, J.D, Wang, X, Matthew, M.A. | | Deposit date: | 2021-12-09 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | A Non-covalent KRASG12D Allele Specific Inhibitor Demonstrates Potent Inhibition of KRAS-dependent Signaling and Regression of KRASG12D-mutant Tumors
Nature, 2022
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7RT5
 | | Crystal structure of KRAS G12D with compound 36 (4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine) bound | | Descriptor: | 4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine, 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: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor.
J.Med.Chem., 65, 2022
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4LUC
 | | Crystal Structure of small molecule disulfide 6 bound to K-Ras G12C | | Descriptor: | CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-07-25 | | Release date: | 2013-11-27 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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6B0V
 | | Crystal Structure of small molecule ARS-107 covalently bound to K-Ras G12C | | Descriptor: | 1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one, CALCIUM ION, GTPase KRas, ... | | Authors: | Hansen, R, Peters, U, Babbar, A, Chen, Y, Feng, J, Janes, M.R, Li, L.-S, Ren, P, Liu, Y, Zarrinkar, P.P. | | Deposit date: | 2017-09-15 | | Release date: | 2018-05-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | The reactivity-driven biochemical mechanism of covalent KRASG12Cinhibitors.
Nat. Struct. Mol. Biol., 25, 2018
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