7F0W
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7EYX
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![BU of 7eyx by Molmil](/molmil-images/mine/7eyx) | Crystal structure of Mg-free KRAS-G12D bound to GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas | Authors: | Fei, Z. | Deposit date: | 2021-06-01 | Release date: | 2021-06-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structure of Mg-free KRAS-G12D bound to GDP To Be Published
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7EW9
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![BU of 7ew9 by Molmil](/molmil-images/mine/7ew9) | GDP-bound KRAS G12D in complex with TH-Z816 | Descriptor: | 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T. | Deposit date: | 2021-05-25 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge. Cell Discov, 8, 2022
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7EWA
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![BU of 7ewa by Molmil](/molmil-images/mine/7ewa) | GDP-bound KRAS G12D in complex with TH-Z827 | Descriptor: | 4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T. | Deposit date: | 2021-05-25 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge. Cell Discov, 8, 2022
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7EWB
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![BU of 7ewb by Molmil](/molmil-images/mine/7ewb) | GDP-bound KRAS G12D in complex with TH-Z835 | Descriptor: | 4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T. | Deposit date: | 2021-05-25 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge. Cell Discov, 8, 2022
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7F6J
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![BU of 7f6j by Molmil](/molmil-images/mine/7f6j) | Crystal structure of the PDZD8 coiled-coil domain - Rab7 complex | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PDZ domain-containing protein 8, ... | Authors: | Khan, H, Chen, L, Tan, L, Im, Y.J. | Deposit date: | 2021-06-25 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of human PDZD8-Rab7 interaction for the ER-late endosome tethering. Sci Rep, 11, 2021
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7EZE
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7EZB
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![BU of 7ezb by Molmil](/molmil-images/mine/7ezb) | Thorarchaeota Rab bound to GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Thorarchaeota Rab | Authors: | Robinson, R.C, Tran, L.T. | Deposit date: | 2021-06-01 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of Thor-Rab To Be Published
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7EZD
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7F68
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![BU of 7f68 by Molmil](/molmil-images/mine/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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7EQ2
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![BU of 7eq2 by Molmil](/molmil-images/mine/7eq2) | Crystal structure of GDP-bound Rab1a-T75D | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, COBALT HEXAMMINE(III), ... | Authors: | Cao, Y.L, Gu, D.D, Gao, S. | Deposit date: | 2021-04-28 | Release date: | 2022-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55090284 Å) | Cite: | Aurora kinase A-mediated phosphorylation triggers structural alteration of Rab1A to enhance ER complexity during mitosis Nat.Struct.Mol.Biol., 2024
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7JIF
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![BU of 7jif by Molmil](/molmil-images/mine/7jif) | HRAS A59T GppNHp | Descriptor: | GLYCEROL, GTPase HRas, MAGNESIUM ION, ... | Authors: | Johnson, C.W, Haigis, K.M. | Deposit date: | 2020-07-23 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.757 Å) | Cite: | Regulation of GTPase function by autophosphorylation. Mol.Cell, 82, 2022
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7JIH
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![BU of 7jih by Molmil](/molmil-images/mine/7jih) | HRAS A59E GppNHp | Descriptor: | GLYCEROL, GTPase HRas, MAGNESIUM ION, ... | Authors: | Johnson, C.W, Haigis, K.M. | Deposit date: | 2020-07-23 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.989 Å) | Cite: | Regulation of GTPase function by autophosphorylation. Mol.Cell, 82, 2022
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7JII
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![BU of 7jii by Molmil](/molmil-images/mine/7jii) | HRAS A59E GDP | Descriptor: | CALCIUM ION, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Johnson, C.W, Haigis, K.M. | Deposit date: | 2020-07-23 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.532 Å) | Cite: | Regulation of GTPase function by autophosphorylation. Mol.Cell, 82, 2022
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7JIG
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![BU of 7jig by Molmil](/molmil-images/mine/7jig) | HRAS A59T GppNHp crystal 2 | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Johnson, C.W, Haigis, K.M. | Deposit date: | 2020-07-23 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.322 Å) | Cite: | Regulation of GTPase function by autophosphorylation. Mol.Cell, 82, 2022
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7B51
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![BU of 7b51 by Molmil](/molmil-images/mine/7b51) | Crystal structure of human CRM1 covalently modified by 2-mercaptoethanol at Cys528 | Descriptor: | BETA-MERCAPTOETHANOL, Exportin-1, GTP-binding nuclear protein Ran, ... | Authors: | Shaikhqasem, A, Ficner, R. | Deposit date: | 2020-12-03 | Release date: | 2021-03-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Crystal structure of human CRM1, covalently modified by 2-mercaptoethanol on Cys528, in complex with RanGTP. Acta Crystallogr.,Sect.F, 77, 2021
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6VJJ
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![BU of 6vjj by Molmil](/molmil-images/mine/6vjj) | Crystal Structure of wild-type KRAS4b (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Tran, T.H, Dharmaiah, S, Simanshu, D.K. | Deposit date: | 2020-01-16 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation. Nat Commun, 12, 2021
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5JCP
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![BU of 5jcp by Molmil](/molmil-images/mine/5jcp) | RhoGAP domain of ARAP3 in complex with RhoA in the transition state | Descriptor: | Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3,Linker,Transforming protein RhoA, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Bao, H, Li, F, Wang, C, Wang, N, Jiang, Y, Tang, Y, Wu, J, Shi, Y. | Deposit date: | 2016-04-15 | Release date: | 2016-06-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for the Specific Recognition of RhoA by the Dual GTPase-activating Protein ARAP3 J.Biol.Chem., 291, 2016
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5JHH
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![BU of 5jhh by Molmil](/molmil-images/mine/5jhh) | Crystal structure of the ternary complex between the human RhoA, its inhibitor and the DH/PH domain of human ARHGEF11 | Descriptor: | 3-{3-[ethyl(quinolin-2-yl)amino]phenyl}propanoic acid, GLYCEROL, Rho guanine nucleotide exchange factor 11, ... | Authors: | Lv, Z, Wang, R, Ma, L, Miao, Q, Wu, J, Yan, Z, Li, J, Miao, L, Wang, F. | Deposit date: | 2016-04-21 | Release date: | 2017-04-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA bound with its inhibitor and PDZRhoGEF To Be Published
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6W4F
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![BU of 6w4f by Molmil](/molmil-images/mine/6w4f) | NMR-driven structure of KRAS4B-GDP homodimer on a lipid bilayer nanodisc | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ... | Authors: | Lee, K, Fang, Z, Enomoto, M, Gasmi-Seabrook, G.M, Zheng, L, Marshall, C.B, Ikura, M. | Deposit date: | 2020-03-10 | Release date: | 2020-04-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Two Distinct Structures of Membrane-Associated Homodimers of GTP- and GDP-Bound KRAS4B Revealed by Paramagnetic Relaxation Enhancement. Angew.Chem.Int.Ed.Engl., 59, 2020
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8HQ6
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![BU of 8hq6 by Molmil](/molmil-images/mine/8hq6) | KL2 in complex with CRM1-Ran-RanBP1 | Descriptor: | CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ... | Authors: | Sun, Q, Jian, L. | Deposit date: | 2022-12-13 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors. J.Med.Chem., 66, 2023
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8HQ3
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![BU of 8hq3 by Molmil](/molmil-images/mine/8hq3) | KL1 in complex with CRM1-Ran-RanBP1 | Descriptor: | CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ... | Authors: | Sun, Q, Jian, L. | Deposit date: | 2022-12-13 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors. J.Med.Chem., 66, 2023
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4US2
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![BU of 4us2 by Molmil](/molmil-images/mine/4us2) | The crystal structure of H-Ras and SOS in complex with ligands | Descriptor: | 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | Authors: | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4URV
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![BU of 4urv by Molmil](/molmil-images/mine/4urv) | The crystal structure of H-Ras and SOS in complex with ligands | Descriptor: | 4-(4-BROMOPHENYL)PIPERIDIN-4-OL, FORMIC ACID, GTPASE HRAS, ... | Authors: | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4US1
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![BU of 4us1 by Molmil](/molmil-images/mine/4us1) | The crystal structure of H-Ras and SOS in complex with ligands | Descriptor: | (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | Authors: | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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