6K7T
| Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Hendra virus-derived peptide HeV1--human beta-2 microglobulin | Descriptor: | Beta-2-microglobulin, HeV1, MHC class I antigen | Authors: | Lu, D, Liu, K.F, Zhang, D, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, F.G, Liu, W.J. | Deposit date: | 2019-06-08 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats. Plos Biol., 17, 2019
|
|
6GQQ
| Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35) | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
|
|
7U9G
| Rabies virus glycoprotein pre-fusion trimer in complex with neutralizing antibody RVA122 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, RVA122 Fab Heavy Chain, ... | Authors: | Callaway, H.M, Zyla, D, Larrous, F, Dias de Melo, G, Hastie, K.M, Avalos, R.D, Agarwal, A, Bouhry, H, Corti, D, Saphire, E.O. | Deposit date: | 2022-03-10 | Release date: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Structure of the rabies virus glycoprotein trimer bound to a prefusion-specific neutralizing antibody. Sci Adv, 8, 2022
|
|
4QC9
| Crystal structure of Vaccinia virus uracil-DNA glycosylase mutant 3GD4 | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Uracil-DNA glycosylase | Authors: | Sartmatova, D, Nash, T, Schormann, N, Nuth, M, Ricciardi, R, Banerjee, S, Chattopadhyay, D. | Deposit date: | 2014-05-09 | Release date: | 2015-05-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.259 Å) | Cite: | Crystal structure of Vaccinia virus uracil-DNA glycosylase mutant 3GD4 To be Published
|
|
7QC5
| Crystal structure of human wild type transthyretin in complex with (3,4-dihydroxy-5-nitrophenyl)-(3-fluoro-5-hydroxyphenyl)methanone compound | Descriptor: | (3-fluoranyl-5-oxidanyl-phenyl)-[3-nitro-4,5-bis(oxidanyl)phenyl]methanone, Transthyretin | Authors: | Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D. | Deposit date: | 2021-11-22 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Development of a Highly Potent Transthyretin Amyloidogenesis Inhibitor: Design, Synthesis, and Evaluation. J.Med.Chem., 65, 2022
|
|
1OL1
| Cyclin A binding groove inhibitor H-Cit-Cit-Leu-Ile-(p-F-Phe)-NH2 | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CIR-CIR-LEU-ILE-PFF-NH2, CYCLIN A2 | Authors: | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | Deposit date: | 2003-08-04 | Release date: | 2003-12-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure, 11, 2003
|
|
5K0K
| Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2434 | Descriptor: | 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3H)-one, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Wang, X, Liu, J, Zhang, W, Stashko, M.A, Nichols, J, DeRyckere, D, Miley, M.J, Norris-Drouin, J, Chen, Z, Machius, M, Wood, E, Graham, D.K, Earp, H.S, Graham, K, Kireev, D, Frye, S.V. | Deposit date: | 2016-05-17 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.545 Å) | Cite: | Design and Synthesis of Novel Macrocyclic Mer Tyrosine Kinase Inhibitors. ACS Med Chem Lett, 7, 2016
|
|
5K0X
| Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2541 | Descriptor: | (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide, CHLORIDE ION, Tyrosine-protein kinase Mer | Authors: | McIver, A.L, Zhang, W, Liu, Q, Jiang, X, Stashko, M.A, Nichols, J, Miley, M.J, Norris-Drouin, J, Machius, M, DeRyckere, D, Wood, E, Graham, D.K, Earp, H.S, Kireev, D, Frye, S.V, Wang, X. | Deposit date: | 2016-05-17 | Release date: | 2017-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.231 Å) | Cite: | Discovery of Macrocyclic Pyrimidines as MerTK-Specific Inhibitors. ChemMedChem, 12, 2017
|
|
8JSW
| Human VMAT2 complex with serotonin | Descriptor: | SEROTONIN, Synaptic vesicular amine transporter | Authors: | Jiang, D.H, Wu, D. | Deposit date: | 2023-06-20 | Release date: | 2023-11-29 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Transport and inhibition mechanisms of human VMAT2. Nature, 626, 2024
|
|
8JTA
| Human VMAT2 complex with tetrabenazine | Descriptor: | Synaptic vesicular amine transporter, tetrabenazine | Authors: | Jiang, D.H, Wu, D. | Deposit date: | 2023-06-21 | Release date: | 2023-11-29 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Transport and inhibition mechanisms of human VMAT2. Nature, 626, 2024
|
|
8JTC
| Human VMAT2 complex with reserpine | Descriptor: | Synaptic vesicular amine transporter, reserpine | Authors: | Jiang, D.H, Wu, D. | Deposit date: | 2023-06-21 | Release date: | 2023-11-29 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Transport and inhibition mechanisms of human VMAT2. Nature, 626, 2024
|
|
8JT9
| Human VMAT2 complex with ketanserin | Descriptor: | 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione, Synaptic vesicular amine transporter | Authors: | Jiang, D.H, Wu, D. | Deposit date: | 2023-06-21 | Release date: | 2023-11-29 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Transport and inhibition mechanisms of human VMAT2. Nature, 626, 2024
|
|
8K0B
| Cryo-EM structure of TMEM63C | Descriptor: | Calcium permeable stress-gated cation channel 1 | Authors: | Qin, Y, Yu, D, Dong, J, Dang, S. | Deposit date: | 2023-07-08 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (3.56 Å) | Cite: | Cryo-EM structure of TMEM63C suggests it functions as a monomer. Nat Commun, 14, 2023
|
|
1OL2
| Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Asn-(p-F-Phe)-NH2 | Descriptor: | ARG-ARG-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | Authors: | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | Deposit date: | 2003-08-05 | Release date: | 2003-12-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure, 11, 2003
|
|
1OKW
| Cyclin A binding groove inhibitor Ac-Arg-Arg-Leu-Asn-(m-Cl-Phe)-NH2 | Descriptor: | ACE-ARG-ARG-LEU-ASN-FCL-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | Authors: | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | Deposit date: | 2003-07-31 | Release date: | 2003-12-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure, 11, 2003
|
|
6K4D
| Ancestral luciferase AncLamp in complex with ATP and D-luciferin | Descriptor: | (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid, Ancestral luciferase AncLamp, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4S)-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate | Authors: | Oba, Y, Konishi, K, Yano, D, Kato, D, Shirai, T. | Deposit date: | 2019-05-23 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Resurrecting the ancient glow of the fireflies. Sci Adv, 6, 2020
|
|
4YFM
| Class A beta-lactamase from Mycobacterium abscessus | Descriptor: | ACETATE ION, Beta-lactamase, GLYCEROL | Authors: | Soroka, D, Li de la Sierra-Gallay, I, Dubee, V, van Tilbeurgh, H, Arthur, M. | Deposit date: | 2015-02-25 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Hydrolysis of Clavulanate by Mycobacterium tuberculosis beta-Lactamase BlaC Harboring a Canonical SDN Motif. Antimicrob.Agents Chemother., 59, 2015
|
|
6K4C
| Ancestral luciferase AncLamp in complex with DLSA | Descriptor: | 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE, Ancestral luciferase AncLamp, MAGNESIUM ION | Authors: | Oba, Y, Konishi, K, Yano, D, Kato, D, Shirai, T. | Deposit date: | 2019-05-23 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Resurrecting the ancient glow of the fireflies. Sci Adv, 6, 2020
|
|
6H82
| Cryo-EM structure of the archaeal extremophilic internal membrane containing Haloarcula hispanica icosahedral virus 2 (HHIV-2) at 3.78 Angstroms resolution. | Descriptor: | GPS III, Uncharacterized protein, VP16 (vertex complex), ... | Authors: | Abrescia, N.G, Santos-Perez, I, Charro, D. | Deposit date: | 2018-08-01 | Release date: | 2019-04-03 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Structural basis for assembly of vertical single beta-barrel viruses. Nat Commun, 10, 2019
|
|
7U9J
| Crystal structure of Mesothelin-207 fragment | Descriptor: | GLYCEROL, Isoform 3 of Mesothelin, SULFATE ION | Authors: | Zhan, J, Esser, L, Lin, D, Tang, W.K, Xia, D. | Deposit date: | 2022-03-10 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structures of Cancer Antigen Mesothelin and Its Complexes with Therapeutic Antibodies. Cancer Res Commun, 3, 2023
|
|
3FZW
| Crystal Structure of Ketosteroid Isomerase D40N-D103N from Pseudomonas putida (pKSI) with bound equilenin | Descriptor: | EQUILENIN, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Caaveiro, J.M.M, Ringe, D, Petsko, G.A. | Deposit date: | 2009-01-26 | Release date: | 2009-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Hydrogen bond coupling in the ketosteroid isomerase active site. Biochemistry, 48, 2009
|
|
7UED
| Crystal structure of full length mesothelin bound with MORAb-009 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Isoform 4 of Mesothelin, ... | Authors: | Zhan, J, Esser, L, Lin, D, Tang, W.K, Xia, D. | Deposit date: | 2022-03-21 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of Cancer Antigen Mesothelin and Its Complexes with Therapeutic Antibodies. Cancer Res Commun, 3, 2023
|
|
8OF3
| Structure of the apoform of ALDEHYDE DEHYDROGENASE 5F1 (ALDH5F1) from the moss Physcomitrium patens | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, PENTAETHYLENE GLYCOL, ... | Authors: | Morera, S, Kopecny, D, Vigouroux, A. | Deposit date: | 2023-03-13 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.348 Å) | Cite: | A study on abiotic stress responses of aldehyde dehydrogenase (ALDH) superfamilies in moss and barley focused on members linked to the GABA shunt pathway To Be Published
|
|
7R7N
| |
8OFM
| |