3KZZ
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4EZH
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4EZ4
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![BU of 4ez4 by Molmil](/molmil-images/mine/4ez4) | free KDM6B structure | Descriptor: | Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ... | Authors: | Cheng, Z.J, Patel, D.J. | Deposit date: | 2012-05-02 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response. Nature, 488, 2012
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4EYU
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5DU8
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![BU of 5du8 by Molmil](/molmil-images/mine/5du8) | Crystal structure of M. tuberculosis EchA6 bound to GSK572A | Descriptor: | (5R,7S)-5-(4-ethylphenyl)-N-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | Authors: | Cox, J.A.G, Besra, G.S, Futterer, K. | Deposit date: | 2015-09-18 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria. Nat Microbiol, 1, 2016
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5DTP
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5DU4
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![BU of 5du4 by Molmil](/molmil-images/mine/5du4) | Crystal structure of M. tuberculosis EchA6 bound to ligand GSK366A | Descriptor: | (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | Authors: | Cox, J.A.G, Besra, G.S, Futterer, K. | Deposit date: | 2015-09-18 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria. Nat Microbiol, 1, 2016
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1MVM
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![BU of 1mvm by Molmil](/molmil-images/mine/1mvm) | MVM(STRAIN I), COMPLEX(VIRAL COAT/DNA), VP2, PH=7.5, T=4 DEGREES C | Descriptor: | DNA (5'-D(*CP*AP*AP*A)-3'), DNA (5'-D(*CP*CP*AP*CP*CP*CP*CP*AP*AP*CP*A)-3'), DNA (5'-D(P*A)-3'), ... | Authors: | Llamas-Saiz, A.L, Agbandje-McKenna, M, Rossmann, M.G. | Deposit date: | 1996-06-21 | Release date: | 1998-02-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure determination of minute virus of mice. Acta Crystallogr.,Sect.D, 53, 1997
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2XUE
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![BU of 2xue by Molmil](/molmil-images/mine/2xue) | CRYSTAL STRUCTURE OF JMJD3 | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ... | Authors: | Chung, C, Rowland, P, Mosley, J, Thomas, P.J. | Deposit date: | 2010-10-19 | Release date: | 2011-12-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response Nature, 488, 2012
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1IJS
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![BU of 1ijs by Molmil](/molmil-images/mine/1ijs) | CPV (STRAIN D) mutant A300D, complex (VIRAL COAT/DNA), VP2, PH=7.5, T=4 DEGREES C | Descriptor: | DNA (5'-D(*AP*C)-3'), DNA (5'-D(*CP*CP*AP*CP*CP*CP*CP*AP*A)-3'), PROTEIN (PARVOVIRUS COAT PROTEIN) | Authors: | Llamas-Saiz, A.L, Agbandje-McKenna, M, Parker, J.S.L, Wahid, A.T.M, Parrish, C.R, Rossmann, M.G. | Deposit date: | 1996-09-12 | Release date: | 1996-12-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structural analysis of a mutation in canine parvovirus which controls antigenicity and host range. Virology, 225, 1996
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4F8C
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1P5Y
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1P5W
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7QPX
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4NU9
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![BU of 4nu9 by Molmil](/molmil-images/mine/4nu9) | 2.30 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus with BME-free Cys289 | Descriptor: | Betaine aldehyde dehydrogenase, SODIUM ION | Authors: | Halavaty, A.S, Minasov, G, Dubrovska, I, Stam, J, Shuvalova, L, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-12-03 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus. Acta Crystallogr.,Sect.D, 71, 2015
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4OON
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![BU of 4oon by Molmil](/molmil-images/mine/4oon) | Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid) | Descriptor: | (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid, Penicillin-binding protein 1A | Authors: | Han, S, Caspers, N, Knafels, J.D. | Deposit date: | 2014-02-03 | Release date: | 2014-05-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria. J.Med.Chem., 57, 2014
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4OOL
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![BU of 4ool by Molmil](/molmil-images/mine/4ool) | Crystal structure of PBP3 in complex with compound 14 ((2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid) | Descriptor: | (2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid, Cell division protein FtsI [Peptidoglycan synthetase] | Authors: | Han, S, Caspers, N, Knafels, J.D. | Deposit date: | 2014-02-03 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria. J.Med.Chem., 57, 2014
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1C8E
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1C8F
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![BU of 1c8f by Molmil](/molmil-images/mine/1c8f) | FELINE PANLEUKOPENIA VIRUS EMPTY CAPSID STRUCTURE | Descriptor: | CALCIUM ION, FELINE PANLEUKOPENIA VIRUS CAPSID | Authors: | Rossmann, M.G, Simpson, A.A. | Deposit date: | 2000-05-05 | Release date: | 2000-08-09 | Last modified: | 2023-04-19 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Host range and variability of calcium binding by surface loops in the capsids of canine and feline parvoviruses. J.Mol.Biol., 300, 2000
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1C8G
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![BU of 1c8g by Molmil](/molmil-images/mine/1c8g) | FELINE PANLEUKOPENIA VIRUS EMPTY CAPSID STRUCTURE | Descriptor: | CALCIUM ION, FELINE PANLEUKOPENIA VIRUS CAPSID | Authors: | Rossmann, M.G, Simpson, A.A. | Deposit date: | 2000-05-05 | Release date: | 2000-08-09 | Last modified: | 2023-04-19 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Host range and variability of calcium binding by surface loops in the capsids of canine and feline parvoviruses. J.Mol.Biol., 300, 2000
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1C8D
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1C8H
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7PC2
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![BU of 7pc2 by Molmil](/molmil-images/mine/7pc2) | HIV-1 Env (BG505 SOSIP.664) in complex with the IgA bNAb 7-269 and the antibody 3BNC117. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC IgG Fab heavy chain, ... | Authors: | Fernandez, I, Bontems, F, Pehau-Arnaudet, G, Rey, F. | Deposit date: | 2021-08-03 | Release date: | 2022-02-23 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Epitope convergence of broadly HIV-1 neutralizing IgA and IgG antibody lineages in a viremic controller. J.Exp.Med., 219, 2022
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1DNV
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![BU of 1dnv by Molmil](/molmil-images/mine/1dnv) | PARVOVIRUS (DENSOVIRUS) FROM GALLERIA MELLONELLA | Descriptor: | GALLERIA MELLONELLA DENSOVIRUS CAPSID PROTEIN | Authors: | Simpson, A.A, Chipmann, P.R, Baker, T.S, Tijssen, P, Rossmann, M.G. | Deposit date: | 1998-07-22 | Release date: | 1999-02-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | The structure of an insect parvovirus (Galleria mellonella densovirus) at 3.7 A resolution. Structure, 6, 1998
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6YNQ
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![BU of 6ynq by Molmil](/molmil-images/mine/6ynq) | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | Descriptor: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-04-14 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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