7RT2
| Crystal Structure of KRAS G12D with compound 25 (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)naphthalen-2-ol) bound | Descriptor: | 1,2-ETHANEDIOL, 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)naphthalen-2-ol, GLYCEROL, ... | 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 (1.59 Å) | Cite: | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
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7RT3
| Crystal Structure of KRAS G12D with compound 24 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-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,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-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 (1.56 Å) | Cite: | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
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7RT4
| KRAS G12D in complex with Compound 5B (7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine) | Descriptor: | 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | 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 (2.1 Å) | Cite: | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 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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7S0Y
| Structures of TcdB in complex with Cdc42 | Descriptor: | Cell division control protein 42 homolog, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zheng, L, Rongsheng, J, Peng, C. | Deposit date: | 2021-08-31 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B. Sci Adv, 7, 2021
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7S0Z
| Structures of TcdB in complex with R-Ras | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, AMMONIUM ION, ... | Authors: | Zheng, L, Rongsheng, J, Peng, C. | Deposit date: | 2021-08-31 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B. Sci Adv, 7, 2021
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7SCW
| KRAS full length wild-type in complex with RGL1 Ras association domain | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | Authors: | Eves, B.J, Kuntz, D.A, Ikura, M, Marshall, C.B. | Deposit date: | 2021-09-29 | Release date: | 2022-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structures of RGL1 RAS-Association Domain in Complex with KRAS and the Oncogenic G12V Mutant. J.Mol.Biol., 434, 2022
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7SCX
| KRAS full-length G12V in complex with RGL1 Ras association domain | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | Authors: | Eves, B.J, Kuntz, D.A, Ikura, M, Marshall, C.B. | Deposit date: | 2021-09-29 | Release date: | 2022-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structures of RGL1 RAS-Association Domain in Complex with KRAS and the Oncogenic G12V Mutant. J.Mol.Biol., 434, 2022
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7SD0
| Cryo-EM structure of the SHOC2:PP1C:MRAS complex | Descriptor: | Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Liau, N.P.D, Johnson, M.C, Hymowitz, S.G, Sudhamsu, J. | Deposit date: | 2021-09-29 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Structural basis for SHOC2 modulation of RAS signalling. Nature, 609, 2022
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7SJ4
| Human Trio residues 1284-1959 in complex with Rac1 | Descriptor: | Ras-related C3 botulinum toxin substrate 1, Triple functional domain protein | Authors: | Chen, C.-L, Ravala, S.K, Bandekar, S.J, Cash, J, Tesmer, J.J.G. | Deposit date: | 2021-10-15 | Release date: | 2022-07-06 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Structural/functional studies of Trio provide insights into its configuration and show that conserved linker elements enhance its activity for Rac1. J.Biol.Chem., 298, 2022
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7T1F
| Crystal structure of GDP-bound T50I mutant of human KRAS4B | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION | Authors: | Zhang, Y, Zhang, C. | Deposit date: | 2021-12-01 | Release date: | 2022-12-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional analyses of a germline KRAS T50I mutation provide insights into Raf activation. JCI Insight, 8, 2023
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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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7TAM
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7TLE
| Crystal Structure of small molecule beta-lactone 1 covalently bound to K-Ras(G12S) | Descriptor: | (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ziyang, Z, Guiley, K.Z, Shokat, K.M. | Deposit date: | 2022-01-18 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98716748 Å) | Cite: | Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S). Nat.Chem.Biol., 18, 2022
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7TLG
| Crystal Structure of small molecule beta-lactone 5 covalently bound to K-Ras(G12S) | Descriptor: | (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ziyang, Z, Guiley, K.Z, Shokat, K.M. | Deposit date: | 2022-01-18 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.80000722 Å) | Cite: | Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S). Nat.Chem.Biol., 18, 2022
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7TLK
| Crystal Structure of K-Ras(G12S) | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Ziyang, Z, Guiley, K.Z, Shokat, K.M. | Deposit date: | 2022-01-18 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.71102226 Å) | Cite: | Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S). Nat.Chem.Biol., 18, 2022
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7TVF
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7TXH
| Human MRas Q71R in complex with human Shoc2 LRR domain M173I and human PP1Ca | Descriptor: | GLYCEROL, Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, ... | Authors: | Hauseman, Z.J, Viscomi, J, Dhembi, A, Clark, K, King, D.A, Fodor, M. | Deposit date: | 2022-02-09 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of the MRAS-SHOC2-PP1C phosphatase complex. Nature, 609, 2022
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7U05
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7U06
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7U2P
| Structure of TcdA GTD in complex with RhoA | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Glucosyltransferase TcdA, MAGNESIUM ION, ... | Authors: | Baohua, C, Zheng, L, Kay, P, Rongsheng, J. | Deposit date: | 2022-02-24 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.596 Å) | Cite: | Structure of the glucosyltransferase domain of TcdA in complex with RhoA provides insights into substrate recognition. Sci Rep, 12, 2022
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7U8H
| Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit | Descriptor: | 1H-benzimidazol-2-ylmethanethiol, 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, GTPase KRas, ... | Authors: | Phan, J, Fesik, S.W. | Deposit date: | 2022-03-08 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.702 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
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7UPI
| Cryo-EM structure of SHOC2-PP1c-MRAS holophosphatase complex | Descriptor: | CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, Leucine-rich repeat protein SHOC-2, ... | Authors: | Fuller, J.R, Hajian, B, Lemke, C, Kwon, J, Bian, Y, Aguirre, A. | Deposit date: | 2022-04-15 | Release date: | 2022-05-04 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex. Nature, 609, 2022
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7USD
| Cryo-EM structure of D-site Rac1-bound WAVE Regulatory Complex | Descriptor: | Abl interactor 2, Cytoplasmic FMR1-interacting protein 1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Ding, B, Yang, S, Chen, B, Chowdhury, S. | Deposit date: | 2022-04-25 | Release date: | 2022-09-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structures reveal a key mechanism of WAVE regulatory complex activation by Rac1 GTPase. Nat Commun, 13, 2022
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7USE
| Cryo-EM structure of WAVE regulatory complex with Rac1 bound on both A and D site | Descriptor: | Abl interactor 2, Cytoplasmic FMR1-interacting protein 1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Ding, B, Yang, S, Chen, B, Chowdhury, S. | Deposit date: | 2022-04-25 | Release date: | 2022-09-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structures reveal a key mechanism of WAVE regulatory complex activation by Rac1 GTPase. Nat Commun, 13, 2022
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