7OGF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ogf by Molmil](/molmil-images/mine/7ogf) | GTPase HRAS mutant D33K under 900 MPa pressure | Descriptor: | GTPase HRas, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | Authors: | Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R. | Deposit date: | 2021-05-06 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography. Chem Sci, 13, 2022
|
|
7OGE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oge by Molmil](/molmil-images/mine/7oge) | GTPase HRAS mutant D33K under 200 MPa pressure | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R. | Deposit date: | 2021-05-06 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography. Chem Sci, 13, 2022
|
|
7E8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7e8t by Molmil](/molmil-images/mine/7e8t) | Monomer of Ypt32-TRAPPII | Descriptor: | GTP-binding protein YPT32/YPT11, TRAPP-associated protein TCA17, Trafficking protein particle complex II-specific subunit 120, ... | Authors: | Mi, C.C, Sui, S.F. | Deposit date: | 2021-03-02 | Release date: | 2022-02-09 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis for assembly of TRAPPII complex and specific activation of GTPase Ypt31/32. Sci Adv, 8, 2022
|
|
7EA3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ea3 by Molmil](/molmil-images/mine/7ea3) | Intact Ypt32-TRAPPII (dimer). | Descriptor: | GTP-binding protein YPT32/YPT11, TRAPP-associated protein TCA17, Trafficking protein particle complex II-specific subunit 120, ... | Authors: | Mi, C.C, Sui, S.F. | Deposit date: | 2021-03-06 | Release date: | 2022-02-09 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (4.31 Å) | Cite: | Structural basis for assembly of TRAPPII complex and specific activation of GTPase Ypt31/32. Sci Adv, 8, 2022
|
|
7F6J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7JIF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7JII
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7JIG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7JIH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7LZ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lz5 by Molmil](/molmil-images/mine/7lz5) | |
7RP3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rp3 by Molmil](/molmil-images/mine/7rp3) | Crystal structure of GNE-1952 alkylated KRAS G12C in complex with 2H11 CLAMP | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, ... | Authors: | Oh, A, Tam, C, Wang, W. | Deposit date: | 2021-08-03 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors. Nat.Biotechnol., 40, 2022
|
|
7RP2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rp2 by Molmil](/molmil-images/mine/7rp2) | Crystal structure of Kas G12C in complex with 2H11 CLAMP | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, GTPase KRas, ... | Authors: | Oh, A, Tam, C, Wang, W. | Deposit date: | 2021-08-03 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors. Nat.Biotechnol., 40, 2022
|
|
7RP4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rp4 by Molmil](/molmil-images/mine/7rp4) | Crystal structure of KRAS G12C in complex with GNE-1952 | Descriptor: | 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Oh, A, Tam, C, Wang, W. | Deposit date: | 2021-08-03 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors. Nat.Biotechnol., 40, 2022
|
|
7T47
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t47 by Molmil](/molmil-images/mine/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
|
|
7MDP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mdp by Molmil](/molmil-images/mine/7mdp) | KRas G12C in complex with G-2897 | Descriptor: | 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 4-(trifluoromethyl)-1,3-benzothiazol-2-amine, ... | Authors: | Oh, A, Frank, Y, Wang, W. | Deposit date: | 2021-04-05 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors. Nat.Biotechnol., 40, 2022
|
|
7Q3E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q3e by Molmil](/molmil-images/mine/7q3e) | Structure of the mouse CPLANE-RSG1 complex | Descriptor: | Ciliogenesis and planar polarity effector 2, GUANOSINE-5'-TRIPHOSPHATE, Protein fuzzy homolog, ... | Authors: | Langousis, G, Cavadini, S, Kempf, G, Matthias, P. | Deposit date: | 2021-10-27 | Release date: | 2022-04-06 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Structure of the ciliogenesis-associated CPLANE complex. Sci Adv, 8, 2022
|
|
7OPQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7opq by Molmil](/molmil-images/mine/7opq) | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CA1 in C188 | Descriptor: | 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one, GLYCEROL, MAGNESIUM ION, ... | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | Deposit date: | 2021-06-01 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
|
|
7OPR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7opr by Molmil](/molmil-images/mine/7opr) | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CB1 in C123 | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | Deposit date: | 2021-06-01 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
|
|
7OPP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7opp by Molmil](/molmil-images/mine/7opp) | Crystal structure of the Rab27a fusion with Slp2a-RBDa1 effector for SF4 pocket drug targeting | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Synaptotagmin-like protein 2,Ras-related protein Rab-27A | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | Deposit date: | 2021-06-01 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
|
|
7SD0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sd0 by Molmil](/molmil-images/mine/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
|
|
7O70
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7o70 by Molmil](/molmil-images/mine/7o70) | KRasG12C ligand complex | Descriptor: | 1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2, CALCIUM ION, GTPase KRas, ... | Authors: | Phillips, C. | Deposit date: | 2021-04-12 | Release date: | 2022-04-20 | Last modified: | 2022-05-25 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C . J.Med.Chem., 65, 2022
|
|
7OO7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oo7 by Molmil](/molmil-images/mine/7oo7) | KRasG12C ligand complex | Descriptor: | 1-[(6aS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one, CALCIUM ION, GTPase KRas, ... | Authors: | Phillips, C. | Deposit date: | 2021-05-26 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C . J.Med.Chem., 65, 2022
|
|
7U06
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7u06 by Molmil](/molmil-images/mine/7u06) | |
7U05
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7u05 by Molmil](/molmil-images/mine/7u05) | |
7R0N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r0n by Molmil](/molmil-images/mine/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: | 2024-05-01 | 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
|
|