7Z0E
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![BU of 7z0e by Molmil](/molmil-images/mine/7z0e) | Crystal structure of the M state of bacteriorhodopsin at 1.22 Angstrom resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene, 2,3-DI-PHYTANYL-GLYCEROL, ... | Authors: | Borshchevskiy, V, Kovalev, K, Round, E, Efremov, R, Bourenkov, G, Gordeliy, V. | Deposit date: | 2022-02-22 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | True-atomic-resolution insights into the structure and functional role of linear chains and low-barrier hydrogen bonds in proteins. Nat.Struct.Mol.Biol., 29, 2022
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3KO7
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7Z61
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![BU of 7z61 by Molmil](/molmil-images/mine/7z61) | Crystal structure of PI3Kgamma with a dihydropurinone inhibitor (compound 18) | Descriptor: | 9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Goldberg, F.W, Ting, A.K.T, Schimpl, M. | Deposit date: | 2022-03-10 | Release date: | 2022-07-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.738 Å) | Cite: | Optimization of hERG and Pharmacokinetic Properties for Basic Dihydro-8 H -purin-8-one Inhibitors of DNA-PK. Acs Med.Chem.Lett., 13, 2022
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6S57
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4M48
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![BU of 4m48 by Molmil](/molmil-images/mine/4m48) | X-ray structure of dopamine transporter elucidates antidepressant mechanism | Descriptor: | 9D5 antibody, heavy chain, light chain, ... | Authors: | Gouaux, E, Penmatsa, A, Wang, K. | Deposit date: | 2013-08-06 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.955 Å) | Cite: | X-ray structure of dopamine transporter elucidates antidepressant mechanism. Nature, 503, 2013
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6A8H
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![BU of 6a8h by Molmil](/molmil-images/mine/6a8h) | Crystal structure of endo-arabinanase ABN-TS D27A mutant in complex with arabinotriose | Descriptor: | CALCIUM ION, MAGNESIUM ION, alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose, ... | Authors: | Yamaguchi, A, Tada, T. | Deposit date: | 2018-07-09 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structures of endo-1,5-alpha-L-arabinanase mutants from Bacillus thermodenitrificans TS-3 in complex with arabino-oligosaccharides. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6S56
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![BU of 6s56 by Molmil](/molmil-images/mine/6s56) | Crystal structure of human ATAD2 bromodomain in complex with N-(4-chloro-3-(N,N-dimethylsulfamoyl)phenyl)-2-(2,5-dioxo-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalen]-1-yl)acetamide | Descriptor: | 1,2-ETHANEDIOL, 2-[(4~{R})-2',5'-bis(oxidanylidene)spiro[2,3-dihydro-1~{H}-naphthalene-4,4'-imidazolidine]-1'-yl]-~{N}-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]ethanamide, ATPase family AAA domain-containing protein 2, ... | Authors: | Chung, C. | Deposit date: | 2019-06-30 | Release date: | 2019-08-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | A Qualified Success: Discovery of a New Series of ATAD2 Bromodomain Inhibitors with a Novel Binding Mode Using High-Throughput Screening and Hit Qualification. J.Med.Chem., 62, 2019
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4LUD
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![BU of 4lud by Molmil](/molmil-images/mine/4lud) | Crystal Structure of HCK in complex with the fluorescent compound SKF86002 | Descriptor: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, CHLORIDE ION, ... | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-25 | Release date: | 2014-02-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D, 70, 2014
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6SB2
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![BU of 6sb2 by Molmil](/molmil-images/mine/6sb2) | cryo-EM structure of mTORC1 bound to active RagA/C GTPases | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Ras-related GTP-binding protein A, ... | Authors: | Anandapadamanaban, M, Berndt, A, Masson, G.R, Perisic, O, Williams, R.L. | Deposit date: | 2019-07-18 | Release date: | 2019-10-16 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | Architecture of human Rag GTPase heterodimers and their complex with mTORC1. Science, 366, 2019
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4MK7
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6B31
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![BU of 6b31 by Molmil](/molmil-images/mine/6b31) | Structure of RORgt in complex with a novel inverse agonist 2 | Descriptor: | (3S)-N~1~-(3-chloro-4-cyanophenyl)-N~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide, Nuclear receptor ROR-gamma | Authors: | Skene, R.J, Hoffman, I. | Deposit date: | 2017-09-20 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Identification of novel quinazolinedione derivatives as ROR gamma t inverse agonist. Bioorg. Med. Chem., 26, 2018
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4QF1
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![BU of 4qf1 by Molmil](/molmil-images/mine/4qf1) | Crystal structure of unliganded CH59UA, the inferred unmutated ancestor of the RV144 anti-HIV antibody lineage producing CH59 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CH59UA Fab fragment of heavy chain, CHLORIDE ION, ... | Authors: | Wiehe, K, Easterhoff, D, Luo, K, Nicely, N.I, Bradley, T, Jaeger, F.H, Dennison, S.M, Zhang, R, Lloyd, K.E, Stolarchuk, C, Parks, R, Sutherland, L.L, Scearce, R.M, Morris, L, Kaewkungwal, J, Nitayaphan, S, Pitisuttithum, P, Rerks-Ngarm, S, Michael, N, Kim, J, Kelsoe, G, Montefiori, D.C, Tomaras, G, Bonsignori, M, Santra, S, Kepler, T.B, Alam, S.M, Moody, M.A, Liao, H.-X, Haynes, B.F. | Deposit date: | 2014-05-19 | Release date: | 2015-02-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Antibody Light-Chain-Restricted Recognition of the Site of Immune Pressure in the RV144 HIV-1 Vaccine Trial Is Phylogenetically Conserved. Immunity, 41, 2014
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4MK8
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![BU of 4mk8 by Molmil](/molmil-images/mine/4mk8) | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 4 (N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide) | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide, ... | Authors: | Harris, S.F, Wong, A. | Deposit date: | 2013-09-04 | Release date: | 2013-10-09 | Last modified: | 2014-01-15 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B. J.Med.Chem., 56, 2013
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4KXT
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4QLX
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![BU of 4qlx by Molmil](/molmil-images/mine/4qlx) | Crystal structure of CLA-ER with product binding | Descriptor: | 10-oxooctadecanoic acid, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Hou, F, Miyakawa, T, Tanokura, M. | Deposit date: | 2014-06-13 | Release date: | 2015-02-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure and reaction mechanism of a novel enone reductase. Febs J., 282, 2015
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4LD1
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6SB0
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![BU of 6sb0 by Molmil](/molmil-images/mine/6sb0) | cryo-EM structure of mTORC1 bound to PRAS40-fused active RagA/C GTPases | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Proline-rich AKT1 substrate 1, ... | Authors: | Anandapadamanaban, M, Berndt, A, Masson, G.R, Perisic, O, Williams, R.L. | Deposit date: | 2019-07-18 | Release date: | 2019-10-16 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (5.5 Å) | Cite: | Architecture of human Rag GTPase heterodimers and their complex with mTORC1. Science, 366, 2019
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4LM5
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![BU of 4lm5 by Molmil](/molmil-images/mine/4lm5) | Crystal structure of Pim1 in complex with 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol (resulting from displacement of SKF86002) | Descriptor: | 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol, GLYCEROL, Serine/threonine-protein kinase pim-1 | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-10 | Release date: | 2014-02-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D, 70, 2014
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6T0H
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![BU of 6t0h by Molmil](/molmil-images/mine/6t0h) | Crystal structure of CYP124 in complex with 1-alpha-hydroxy-vitamin D3 | Descriptor: | 1-alpha-hydroxy-vitamin D3, CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, ... | Authors: | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
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6T0G
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![BU of 6t0g by Molmil](/molmil-images/mine/6t0g) | Crystal structure of CYP124 in complex with vitamin D3 | Descriptor: | (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, MAGNESIUM ION, Methyl-branched lipid omega-hydroxylase, ... | Authors: | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
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4QH3
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4LL5
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![BU of 4ll5 by Molmil](/molmil-images/mine/4ll5) | Crystal Structure of Pim-1 in complex with the fluorescent compound SKF86002 | Descriptor: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, GLYCEROL, ... | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-09 | Release date: | 2014-02-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D, 70, 2014
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6T0K
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![BU of 6t0k by Molmil](/molmil-images/mine/6t0k) | Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole | Descriptor: | CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, GLYCEROL, ... | Authors: | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
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4QLY
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![BU of 4qly by Molmil](/molmil-images/mine/4qly) | Crystal structure of CLA-ER, a novel enone reductase catalyzing a key step of a gut-bacterial fatty acid saturation metabolism, biohydrogenation | Descriptor: | Enone reductase CLA-ER, FLAVIN MONONUCLEOTIDE | Authors: | Hou, F, Miyakawa, T, Tanokura, M. | Deposit date: | 2014-06-13 | Release date: | 2015-02-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Structure and reaction mechanism of a novel enone reductase. Febs J., 282, 2015
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4QCI
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![BU of 4qci by Molmil](/molmil-images/mine/4qci) | PDGF-B blocking antibody bound to PDGF-BB | Descriptor: | Platelet-derived growth factor subunit B, anti-PDGF-BB antibody - Light Chain, anti-PDGF-BB antibody - Heavy chain | Authors: | Kuai, J, Mosyak, L, Tam, M, LaVallie, E, Pullen, N, Carven, G. | Deposit date: | 2014-05-12 | Release date: | 2015-03-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization of Binding Mode of Action of a Blocking Anti-Platelet-Derived Growth Factor (PDGF)-B Monoclonal Antibody, MOR8457, Reveals Conformational Flexibility and Avidity Needed for PDGF-BB To Bind PDGF Receptor-beta. Biochemistry, 54, 2015
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