5LXV
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4RIV
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![BU of 4riv by Molmil](/molmil-images/mine/4riv) | A Carbonic Anhydrase IX Mimic in Complex with Saccharin | Descriptor: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Mahon, B.P, McKenna, R. | Deposit date: | 2014-10-07 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | Saccharin: A lead compound for structure-based drug design of carbonic anhydrase IX inhibitors. Bioorg.Med.Chem., 23, 2015
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5LZY
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![BU of 5lzy by Molmil](/molmil-images/mine/5lzy) | Structure of the mammalian rescue complex with Pelota and Hbs1l assembled on a polyadenylated mRNA. | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S12, ... | Authors: | Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S. | Deposit date: | 2016-10-02 | Release date: | 2016-11-30 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.99 Å) | Cite: | Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes. Cell, 167, 2016
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7TNH
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![BU of 7tnh by Molmil](/molmil-images/mine/7tnh) | Crystal structure of CSF1R kinase domain in complex with DP-6233 | Descriptor: | 2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide, CHLORIDE ION, Macrophage colony-stimulating factor 1 receptor,Fibroblast growth factor receptor 1 chimera, ... | Authors: | Edwards, T.E, Arakaki, T.L, Chun, L, Flynn, D.L. | Deposit date: | 2022-01-21 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of acyl ureas as highly selective small molecule CSF1R kinase inhibitors. Bioorg.Med.Chem.Lett., 74, 2022
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8TFF
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![BU of 8tff by Molmil](/molmil-images/mine/8tff) | PorX with BeF3 phosphate analog | Descriptor: | ACETATE ION, BERYLLIUM TRIFLUORIDE ION, CALCIUM ION, ... | Authors: | Saran, A, Zeytuni, N. | Deposit date: | 2023-07-11 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | PorX with BeF3 phosphate analog To Be Published
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8TM0
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6FRD
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6IPA
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3ADB
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![BU of 3adb by Molmil](/molmil-images/mine/3adb) | Crystal structure of O-phosphoseryl-tRNA kinase complexed with selenocysteine tRNA and AMPPNP (crystal type 1) | Descriptor: | L-seryl-tRNA(Sec) kinase, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Itoh, Y, Chiba, S, Sekine, S, Yokoyama, S. | Deposit date: | 2010-01-18 | Release date: | 2010-07-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for the Major Role of O-Phosphoseryl-tRNA Kinase in the UGA-Specific Encoding of Selenocysteine Mol.Cell, 39, 2010
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6IEM
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![BU of 6iem by Molmil](/molmil-images/mine/6iem) | Argininosuccinate lyase from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15-PENTAOXAHEPTADECANE, Argininosuccinate lyase, ... | Authors: | Paul, A, Mishra, A, Surolia, A, Vijayan, M. | Deposit date: | 2018-09-14 | Release date: | 2019-02-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural studies on M. tuberculosis argininosuccinate lyase and its liganded complex: Insights into catalytic mechanism. IUBMB Life, 71, 2019
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6IPW
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![BU of 6ipw by Molmil](/molmil-images/mine/6ipw) | Crystal structure of CqsB2 from Streptomyces exfoliatus in complex with the product, 1-(2-hydroxypropyl)-2-methyl-carbazole-3,4-dione | Descriptor: | 2-methyl-1-[(2R)-2-oxidanylpropyl]-9H-carbazole-3,4-dione, CqsB2 | Authors: | Tomita, T, Kobayashi, M, Nishiyama, M, Kuzuyama, T. | Deposit date: | 2018-11-05 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An Unprecedented Cyclization Mechanism in the Biosynthesis of Carbazole Alkaloids in Streptomyces. Angew.Chem.Int.Ed.Engl., 58, 2019
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8TEF
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8TLZ
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8T28
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![BU of 8t28 by Molmil](/molmil-images/mine/8t28) | The crystal structure of SrtC2 sortase from Actinomyces oris | Descriptor: | CHLORIDE ION, Class C sortase, PHOSPHATE ION | Authors: | Osipiuk, J, Chang, C, Ton-That, H.L, Ton-That, H, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2023-06-05 | Release date: | 2024-04-17 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular basis for dual functions in pilus assembly modulated by the lid of a pilus-specific sortase. J.Biol.Chem., 300, 2024
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8THP
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8TM2
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8TV6
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![BU of 8tv6 by Molmil](/molmil-images/mine/8tv6) | SARS-CoV-2 Mac1 in complex with MDOLL-0169 | Descriptor: | (1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Wazir, S, Maksimainen, M, Lehtio, L. | Deposit date: | 2023-08-17 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of 2-Amide-3-methylester Thiophenes that Target SARS-CoV-2 Mac1 and Repress Coronavirus Replication, Validating Mac1 as an Antiviral Target. J.Med.Chem., 67, 2024
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1FJ3
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![BU of 1fj3 by Molmil](/molmil-images/mine/1fj3) | THERMOLYSIN (50% ACETONE SOAKED) | Descriptor: | ACETONE, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | English, A.C, Groom, C.R, Hubbard, R.E. | Deposit date: | 2000-08-07 | Release date: | 2001-04-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Experimental and computational mapping of the binding surface of a crystalline protein. Protein Eng., 14, 2001
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5LEZ
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![BU of 5lez by Molmil](/molmil-images/mine/5lez) | Human 20S proteasome complex with Oprozomib in Mg-Acetate at 2.2 Angstrom | Descriptor: | ACETATE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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8TRY
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![BU of 8try by Molmil](/molmil-images/mine/8try) | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20348 | Descriptor: | N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide, Polyketide synthase Pks13, SULFATE ION | Authors: | Krieger, I.V, Sacchettini, J.C. | Deposit date: | 2023-08-10 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis., 10, 2024
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1FR8
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![BU of 1fr8 by Molmil](/molmil-images/mine/1fr8) | CRYSTAL STRUCTURE OF THE BOVINE BETA 1,4 GALACTOSYLTRANSFERASE (B4GALT1) CATALYTIC DOMAIN COMPLEXED WITH URIDINE DIPHOSPHOGALACTOSE | Descriptor: | BETA 1,4 GALACTOSYLTRANSFERASE, GALACTOSE-URIDINE-5'-DIPHOSPHATE | Authors: | Gastinel, L.N, Cambillau, C, Bourne, Y. | Deposit date: | 2000-09-07 | Release date: | 2000-09-20 | Last modified: | 2021-07-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of the bovine beta4galactosyltransferase catalytic domain and its complex with uridine diphosphogalactose. EMBO J., 18, 1999
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8TR4
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![BU of 8tr4 by Molmil](/molmil-images/mine/8tr4) | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20404 | Descriptor: | 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide, Polyketide synthase Pks13, SULFATE ION | Authors: | Krieger, I.V, Sacchettini, J.C. | Deposit date: | 2023-08-09 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis., 10, 2024
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6HKZ
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![BU of 6hkz by Molmil](/molmil-images/mine/6hkz) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-49-1 | Descriptor: | (2~{S})-2-[[(2~{S})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Motlova, L, Novakova, Z, Barinka, C. | Deposit date: | 2018-09-09 | Release date: | 2018-12-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
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8T41
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7TY3
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![BU of 7ty3 by Molmil](/molmil-images/mine/7ty3) | Crystal Structure of SETD2 Bound to an Indole-based Inhibitor | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETD2, N-[(1R,3R)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide, ... | Authors: | Farrow, N.A. | Deposit date: | 2022-02-11 | Release date: | 2022-08-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational-Design-Driven Discovery of EZM0414: A Selective, Potent SETD2 Inhibitor for Clinical Studies. Acs Med.Chem.Lett., 13, 2022
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