8S8C
| Structure of Kras in complex with inhibitor MK-1084 | Descriptor: | (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Day, P.J, Cleasby, A. | Deposit date: | 2024-03-06 | Release date: | 2024-07-10 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRAS G12C Inhibitor. J.Med.Chem., 67, 2024
|
|
8RUY
| |
8QW7
| 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
|
|
8QW6
| Crystal Structure of compound 3 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB | Descriptor: | (2S,4R)-1-[(2S)-2-[6-[(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]hexanoylamino]-3,3-dimethyl-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 (2.2 Å) | Cite: | Targeting cancer with small molecule pan-KRAS degraders Science, 2024
|
|
8QVU
| Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex | Descriptor: | (2S,4R)-1-[(2S)-2-[4-[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]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Wijaya, A.J, 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 (2.24 Å) | Cite: | Targeting cancer with small molecule pan-KRAS degraders Science, 2024
|
|
8QUG
| KRAS-G12C in Complex with Compound 1 | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[2-[(2S)-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Fischer, G, Kratochvil, B. | Deposit date: | 2023-10-16 | Release date: | 2023-12-06 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Targeting cancer with small molecule pan-KRAS degraders Science, 2024
|
|
8QU8
| PROTAC-mediated complex of KRAS with VHL/Elongin-B/Elongin-C/Cullin-2/Rbx1 | Descriptor: | (2S,4R)-1-[(2S)-2-[4-[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]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Cullin-2, E3 ubiquitin-protein ligase RBX1, ... | Authors: | Fischer, G, Peter, D, Arce-Solano, S. | Deposit date: | 2023-10-14 | Release date: | 2023-12-06 | Last modified: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Targeting cancer with small molecule pan-KRAS degraders Science, 2024
|
|
8Q0N
| HACE1 in complex with RAC1 Q61L | Descriptor: | E3 ubiquitin-protein ligase HACE1, GUANOSINE-5'-TRIPHOSPHATE, Ras-related C3 botulinum toxin substrate 1, ... | Authors: | Wolter, M, Duering, J, Dienemann, C, Lorenz, S. | Deposit date: | 2023-07-28 | Release date: | 2024-01-10 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural mechanisms of autoinhibition and substrate recognition by the ubiquitin ligase HACE1. Nat.Struct.Mol.Biol., 31, 2024
|
|
8PIY
| |
8OSO
| GTPase HRAS in complex with Zn-cyclen under 500 MPa pressure | Descriptor: | 1,4,7,10-tetraazacyclododecane, GTPase HRas, MAGNESIUM ION, ... | Authors: | Colloc'h, N, Prange, T, Girard, E, Kalbitzer, H.R. | Deposit date: | 2023-04-19 | Release date: | 2024-05-08 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | High Pressure Promotes Binding of the Allosteric Inhibitor Zn 2+ -Cyclen in Crystals of Activated H-Ras. Chemistry, 30, 2024
|
|
8OSN
| GTPASE HRAS IN COMPLEX WITH ZN-CYCLEN AT AMBIENT PRESSURE | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Colloc'h, N, Prange, T, Girard, E, Kalbitzer, H.R. | Deposit date: | 2023-04-19 | Release date: | 2024-05-08 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High Pressure Promotes Binding of the Allosteric Inhibitor Zn 2+ -Cyclen in Crystals of Activated H-Ras. Chemistry, 30, 2024
|
|
8OSM
| GTPASE HRAS IN COMPLEX WITH ZN-CYCLEN AT 200 MPA PRESSURE | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Colloc'h, N, Girard, E, Prange, T, Kalbitzer, H.R. | Deposit date: | 2023-04-19 | Release date: | 2024-05-08 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | High Pressure Promotes Binding of the Allosteric Inhibitor Zn 2+ -Cyclen in Crystals of Activated H-Ras. Chemistry, 30, 2024
|
|
8ONV
| KRAS-G13D in complex with BI-2493 | Descriptor: | (7~{S})-2'-azanyl-3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]spiro[5,6-dihydro-4~{H}-1,2-benzoxazole-7,4'-6,7-dihydro-5~{H}-1-benzothiophene]-3'-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2023-04-04 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
|
|
8KB8
| Structure of the WDR91 WD40 domain complexed with Rab7 | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-7a, ... | Authors: | Li, J, Ma, X.L, Banerjee, S, Dong, Z.G. | Deposit date: | 2023-08-04 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure of the WDR91 WD40 domain complexed with Rab7 To Be Published
|
|
8JVJ
| Structure of human TRPV4 with antagonist A2 and RhoA | Descriptor: | Transforming protein RhoA, Transient receptor potential cation channel subfamily V member 4,3C-GFP, [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | Authors: | Fan, J, Lei, X. | Deposit date: | 2023-06-28 | Release date: | 2024-05-08 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Structural Pharmacology of TRPV4 Antagonists. Adv Sci, 11, 2024
|
|
8JQU
| Crystal structure of GppNHp bound GTPase domain of Rab5a from Leishmania donovani | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Pandey, D, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A. | Deposit date: | 2023-06-14 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Crystal structure of GppNHp bound GTPase domain of Rab5a from Leishmania donovani To Be Published
|
|
8JJS
| Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP10343 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAA-ILE-SAR-SAR-7T2-SAR-IAE-LEU-MEA-MLE-7TK, ... | Authors: | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | Deposit date: | 2023-05-31 | Release date: | 2023-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.534 Å) | Cite: | Development of Orally Bioavailable Peptides Targeting an Intracellular Protein: From a Hit to a Clinical KRAS Inhibitor. J.Am.Chem.Soc., 145, 2023
|
|
8JHL
| GDP-bound KRAS G12D in complex with YK-8S | Descriptor: | 1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-oxidanyl-propan-1-one, GTPase KRas, N-terminally processed, ... | Authors: | Zhang, Z.M, Wang, R.L. | Deposit date: | 2023-05-23 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.10004044 Å) | Cite: | Simultaneous Covalent Modification of K-Ras(G12D) and K-Ras(G12C) with Tunable Oxirane Electrophiles. J.Am.Chem.Soc., 145, 2023
|
|
8JGD
| GDP-bound KRAS G12C in complex with YK-8S | Descriptor: | (2~{S})-1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxidanyl-propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Zhang, Z.M, Wang, R.L. | Deposit date: | 2023-05-20 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.60037053 Å) | Cite: | Simultaneous Covalent Modification of K-Ras(G12D) and K-Ras(G12C) with Tunable Oxirane Electrophiles. J.Am.Chem.Soc., 145, 2023
|
|
8ITV
| KL2.1 in complex with CRM1-Ran-RanBP1 | Descriptor: | (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Sun, Q, Jian, L. | Deposit date: | 2023-03-23 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | KL2.1 in complex with CRM1-Ran-RanBP1 To Be Published
|
|
8IJ9
| Crystal structure of the ELKS1/Rab6B complex | Descriptor: | ELKS/Rab6-interacting/CAST family member 1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Jin, G, Wei, Z. | Deposit date: | 2023-02-26 | Release date: | 2023-06-14 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural basis of ELKS/Rab6B interaction and its role in vesicle capturing enhanced by liquid-liquid phase separation. J.Biol.Chem., 299, 2023
|
|
8I5W
| Crystal structure of the DHR-2 domain of DOCK10 in complex with Rac1 | Descriptor: | Dedicator of cytokinesis protein 10, Ras-related C3 botulinum toxin substrate 1, SULFATE ION | Authors: | Kukimoto-Niino, M, Mishima-Tsumagari, C, Ihara, K, Fukui, Y, Yokoyama, S, Shirouzu, M. | Deposit date: | 2023-01-26 | Release date: | 2023-03-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.432 Å) | Cite: | Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor. Biochem.Biophys.Res.Commun., 653, 2023
|
|
8I5V
| DOCK10 mutant L1903Y complexed with Rac1 | Descriptor: | Dedicator of cytokinesis protein 10, Ras-related C3 botulinum toxin substrate 1, SULFATE ION | Authors: | Kukimoto-Niino, M, Mishima-Tsumagari, C, Ihara, K, Fukui, Y, Yokoyama, S, Shirouzu, M. | Deposit date: | 2023-01-26 | Release date: | 2023-03-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.726 Å) | Cite: | Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor. Biochem.Biophys.Res.Commun., 653, 2023
|
|
8I5F
| Crystal structure of the DHR-2 domain of DOCK10 in complex with Cdc42 (T17N mutant) | Descriptor: | Cell division control protein 42 homolog, Dedicator of cytokinesis protein 10 | Authors: | Kukimoto-Niino, M, Mishima-Tsumagari, C, Fukui, Y, Yokoyama, S, Shirouzu, M. | Deposit date: | 2023-01-25 | Release date: | 2023-03-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor. Biochem.Biophys.Res.Commun., 653, 2023
|
|
8HUG
| F1 in complex with CRM1-Ran-RanBP1 | Descriptor: | 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid, CHLORIDE ION, CRM1 isoform 1, ... | Authors: | Sun, Q, Lei, Y. | Deposit date: | 2022-12-23 | Release date: | 2023-12-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of a Hidden Pocket beneath the NES Groove by Novel Noncovalent CRM1 Inhibitors. J.Med.Chem., 66, 2023
|
|