4X7X
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![BU of 4x7x by Molmil](/molmil-images/mine/4x7x) | MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and macrocin | Descriptor: | 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5S,6R)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal, MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, ... | Authors: | Bernard, S.M, Smith, J.L. | Deposit date: | 2014-12-09 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases. Acs Chem.Biol., 10, 2015
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3LAC
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![BU of 3lac by Molmil](/molmil-images/mine/3lac) | Crystal structure of Bacillus anthracis pyrrolidone-carboxylate peptidase, pcP | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Pyrrolidone-carboxylate peptidase | Authors: | Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Hasseman, J, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-01-06 | Release date: | 2010-01-19 | Last modified: | 2011-12-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of Bacillus anthracis pyrrolidone-carboxylate peptidase, pcP To be Published
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4WOR
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![BU of 4wor by Molmil](/molmil-images/mine/4wor) | |
5IOT
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![BU of 5iot by Molmil](/molmil-images/mine/5iot) | |
2AU6
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![BU of 2au6 by Molmil](/molmil-images/mine/2au6) | Crystal structure of catalytic intermediate of inorganic pyrophosphatase | Descriptor: | CHLORIDE ION, FLUORIDE ION, Inorganic pyrophosphatase, ... | Authors: | Samygina, V.R, Popov, A.N, Avaeva, S.M, Bartunik, H.D. | Deposit date: | 2005-08-27 | Release date: | 2006-08-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Reversible inhibition of Escherichia coli inorganic pyrophosphatase by fluoride: trapped catalytic intermediates in cryo-crystallographic studies J.Mol.Biol., 366, 2007
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4TVX
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![BU of 4tvx by Molmil](/molmil-images/mine/4tvx) | Crystal structure of the E. coli CRISPR RNA-guided surveillance complex, Cascade | Descriptor: | CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ... | Authors: | Jackson, R.N, Golden, S.M, Carter, J, Wiedenheft, B. | Deposit date: | 2014-06-28 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Structural biology. Crystal structure of the CRISPR RNA-guided surveillance complex from Escherichia coli. Science, 345, 2014
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4X7Y
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3LU2
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![BU of 3lu2 by Molmil](/molmil-images/mine/3lu2) | Structure of lmo2462, a Listeria monocytogenes amidohydrolase family putative dipeptidase | Descriptor: | Lmo2462 protein, ZINC ION | Authors: | Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Hasseman, J, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-02-16 | Release date: | 2010-03-09 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of lmo2462, a Listeria monocytogenes amidohydrolase family putative dipeptidase To be Published
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4OYQ
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![BU of 4oyq by Molmil](/molmil-images/mine/4oyq) | (6-isothiocyanatohexyl)benzene inhibitor complexed with Macrophage Migration Inhibitory Factor | Descriptor: | 6-isothiocyanatohexylbenzene, GLYCEROL, Macrophage migration inhibitory factor, ... | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Vo, C.T, Rutledge, M.T, Nakatani, Y, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | Deposit date: | 2014-02-12 | Release date: | 2014-03-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | To be published To be published
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3FF1
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![BU of 3ff1 by Molmil](/molmil-images/mine/3ff1) | Structure of Glucose 6-phosphate Isomerase from Staphylococcus aureus | Descriptor: | GLUCOSE-6-PHOSPHATE, Glucose-6-phosphate isomerase, SODIUM ION | Authors: | Anderson, S.M, Brunzelle, J.S, Onopriyenko, O, Peterson, S, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2008-12-01 | Release date: | 2009-02-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of Glucose 6-phosphate Isomerase from Staphylococcus aureus TO BE PUBLISHED
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4OSF
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![BU of 4osf by Molmil](/molmil-images/mine/4osf) | 4-(2-isothiocyanatoethyl)phenol inhibitor complexed with Macrophage Migration Inhibitory Factor | Descriptor: | CHLORIDE ION, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ... | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Vo, C.T, Rutledge, M.T, Nakatani, Y, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | Deposit date: | 2014-02-12 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93, 2015
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2EPE
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![BU of 2epe by Molmil](/molmil-images/mine/2epe) | Crystal structure analysis of Hen egg white lysozyme grown by capillary method | Descriptor: | Lysozyme C | Authors: | Naresh, M.D, Subramanian, V, Jaimohan, S.M, Rajaram, A, Arumugam, V, Usha, R, Mandal, A.B. | Deposit date: | 2007-03-29 | Release date: | 2007-04-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure analysis of Hen egg white lysozyme grown by capillary method To be published
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4UBH
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![BU of 4ubh by Molmil](/molmil-images/mine/4ubh) | Resting state of rat cysteine dioxygenase Y157F variant | Descriptor: | CHLORIDE ION, Cysteine dioxygenase type 1, FE (II) ION, ... | Authors: | Tchesnokov, E.P, Fellner, M, Jameson, G.N.L, Wilbanks, S.M. | Deposit date: | 2014-08-13 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal structure of cysteine dioxygenase mutant To be published
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7V04
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![BU of 7v04 by Molmil](/molmil-images/mine/7v04) | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide | Descriptor: | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | Deposit date: | 2022-05-09 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. Acs Med.Chem.Lett., 14, 2023
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3FRX
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5IOQ
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![BU of 5ioq by Molmil](/molmil-images/mine/5ioq) | Flavin-dependent thymidylate synthase in complex with FAD and deoxyuridine | Descriptor: | 2'-DEOXYURIDINE, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ... | Authors: | Bernard, S.M, Stull, F.W, Smith, J.L. | Deposit date: | 2016-03-08 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase. Biochemistry, 55, 2016
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8T5Z
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![BU of 8t5z by Molmil](/molmil-images/mine/8t5z) | |
8T94
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3FV7
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![BU of 3fv7 by Molmil](/molmil-images/mine/3fv7) | OXA-24 beta-lactamase complex with SA4-44 inhibitor | Descriptor: | (2S)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24 | Authors: | Bou, G, Santillana, E, Sheri, A, Beceiro, A, Sampson, J.M, Kalp, M, Bethel, C.R, Distler, A.M, Drawz, S.M, Pagadala, S.R, Van den Akker, F, Bonomo, R.A, Romero, A, Buynak, J.D. | Deposit date: | 2009-01-15 | Release date: | 2010-02-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase. J.Am.Chem.Soc., 132, 2010
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4X7V
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![BU of 4x7v by Molmil](/molmil-images/mine/4x7v) | MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and mycinamicin IV (product) | Descriptor: | MAGNESIUM ION, MYCINAMICIN IV, Mycinamicin III 3''-O-methyltransferase, ... | Authors: | Bernard, S.M, Smith, J.L. | Deposit date: | 2014-12-09 | Release date: | 2015-03-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases. Acs Chem.Biol., 10, 2015
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3LXE
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![BU of 3lxe by Molmil](/molmil-images/mine/3lxe) | Human Carbonic Anhydrase I in complex with topiramate | Descriptor: | Carbonic anhydrase 1, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate | Authors: | Alterio, V, De Simone, G, Monti, S.M, Truppo, E. | Deposit date: | 2010-02-25 | Release date: | 2010-07-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The first example of a significant active site conformational rearrangement in a carbonic anhydrase-inhibitor adduct: the carbonic anhydrase I-topiramate complex. Org.Biomol.Chem., 2010
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2C7Y
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![BU of 2c7y by Molmil](/molmil-images/mine/2c7y) | plant enzyme | Descriptor: | 3-KETOACYL-COA THIOLASE 2 | Authors: | Sundaramoorthy, R, Micossi, E, Alphey, M.S, Germain, V, Bryce, J.H, Smith, S.M, Leonard, G.A, Hunter, W.N. | Deposit date: | 2005-11-30 | Release date: | 2006-05-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Crystal Structure of a Plant 3-Ketoacyl-Coa Thiolase Reveals the Potential for Redox Control of Peroxisomal Fatty Acid Beta-Oxidation. J.Mol.Biol., 359, 2006
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3LYL
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![BU of 3lyl by Molmil](/molmil-images/mine/3lyl) | Structure of 3-oxoacyl-acylcarrier protein reductase, FabG from Francisella tularensis | Descriptor: | 3-oxoacyl-(Acyl-carrier-protein) reductase | Authors: | Anderson, S.M, Wawrzak, Z, Gordon, E, Hasseman, J, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-02-27 | Release date: | 2010-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of 3-oxoacyl-acylcarrier protein reductase, FabG from Francisella tularensis TO BE PUBLISHED
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4X1V
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![BU of 4x1v by Molmil](/molmil-images/mine/4x1v) | Crystal structure of the 2nd SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 76-91) from human ARAP1 | Descriptor: | Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 1, CD2-associated protein | Authors: | Rouka, E, Krojer, T, von Delft, F, Knapp, S, Kirsch, K.H, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Feller, S.M, Simister, P.C. | Deposit date: | 2014-11-25 | Release date: | 2016-02-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structure of the 2nd SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 76-91) from human ARAP1 to be published
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5I7C
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![BU of 5i7c by Molmil](/molmil-images/mine/5i7c) | Centrosomin-motif 2 (CM2) domain of Drosophila melanogaster Centrosomin (Cnn) | Descriptor: | Centrosomin, ZINC ION | Authors: | Feng, Z, Cottee, M.A, Johnson, S, Lea, S.M. | Deposit date: | 2016-02-17 | Release date: | 2017-03-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | Structural Basis for Mitotic Centrosome Assembly in Flies. Cell, 169, 2017
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