6BDX
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![BU of 6bdx by Molmil](/molmil-images/mine/6bdx) | 4-hydroxy tetrahydrodipicolinate reductase from Neisseria gonorrhoeae | Descriptor: | 4-hydroxy-tetrahydrodipicolinate reductase, SULFATE ION | Authors: | Pote, S.S, Pye, S.E, Sheahan, T.E, Chruszcz, M. | Deposit date: | 2017-10-24 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 4-Hydroxy-tetrahydrodipicolinate reductase from Neisseria gonorrhoeae - structure and interactions with coenzymes and substrate analog. Biochem. Biophys. Res. Commun., 503, 2018
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1G3B
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![BU of 1g3b by Molmil](/molmil-images/mine/1g3b) | BOVINE BETA-TRYPSIN BOUND TO META-AMIDINO SCHIFF BASE MAGNESIUM(II) CHELATE | Descriptor: | 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Toyota, E, Ng, K.K.S, Sekizaki, H, Itoh, K, Tanizawa, K, James, M.N.G. | Deposit date: | 2000-10-23 | Release date: | 2001-01-17 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystallographic analyses of complexes between bovine beta-trypsin and Schiff base copper(II) or iron(III) chelates. J.Mol.Biol., 305, 2001
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4N8Q
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![BU of 4n8q by Molmil](/molmil-images/mine/4n8q) | Alternative substrates of Mycobacterium tuberculosis anthranilate phosphoribosyl transferase | Descriptor: | 2-amino-4-fluorobenzoic acid, Anthranilate phosphoribosyltransferase | Authors: | Castell, A, Cookson, T.V.M, Bulloch, E, Evans, G.L, Baker, E.N, Lott, J.S, Parker, E.J. | Deposit date: | 2013-10-17 | Release date: | 2014-04-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Alternative substrates reveal catalytic cycle and key binding events in the reaction catalysed by anthranilate phosphoribosyltransferase from Mycobacterium tuberculosis. Biochem.J., 461, 2014
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7QFI
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![BU of 7qfi by Molmil](/molmil-images/mine/7qfi) | Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain I (aa 31-182) | Descriptor: | CALCIUM ION, SlpX | Authors: | Sagmeister, T, Damisch, E, Millan, C, Uson, I, Eder, M, Pavkov-Keller, T. | Deposit date: | 2021-12-06 | Release date: | 2022-12-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids. Proc.Natl.Acad.Sci.USA, 121, 2024
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5FMK
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![BU of 5fmk by Molmil](/molmil-images/mine/5fmk) | Bcl-xL with Bak BH3 complex | Descriptor: | BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, BCL-XL, GLYCEROL | Authors: | Fairlie, W.D, Lee, E.F, Smith, B.J, Czabotar, P.E, Colman, P.M. | Deposit date: | 2015-11-06 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.731 Å) | Cite: | Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival. Genes Dev., 30, 2016
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1G3M
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![BU of 1g3m by Molmil](/molmil-images/mine/1g3m) | CRYSTAL STRUCTURE OF HUMAN ESTROGEN SULFOTRANSFERASE IN COMPLEX WITH IN-ACTIVE COFACTOR PAP AND 3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL | Descriptor: | 1,2-ETHANEDIOL, 3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL, ADENOSINE-3'-5'-DIPHOSPHATE, ... | Authors: | Shevtsov, S, Petrochenko, E.V, Negishi, M, Pedersen, L.C. | Deposit date: | 2000-10-24 | Release date: | 2003-07-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystallographic analysis of a hydroxylated polychlorinated biphenyl (OH-PCB) bound to the catalytic estrogen binding site of human estrogen sulfotransferase. Environ.Health Perspect., 111, 2003
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2OPG
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![BU of 2opg by Molmil](/molmil-images/mine/2opg) | The crystal structure of the 10th PDZ domain of MPDZ | Descriptor: | Multiple PDZ domain protein, SODIUM ION | Authors: | Gileadi, C, Phillips, C, Elkins, J, Papagrigoriou, E, Ugochukwu, E, Gorrec, F, Savitsky, P, Umeano, C, Berridge, G, Gileadi, O, Salah, E, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2007-01-29 | Release date: | 2007-02-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The crystal structure of the 10th PDZ domain of MPDZ To be Published
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8R65
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![BU of 8r65 by Molmil](/molmil-images/mine/8r65) | 1918 H1N1 Viral polymerase heterotrimer in complex with 4 repeat serine-5 phosphorylated PolII peptide with ordered PB2 C-terminal domains | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(P*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*CP*C)-3'), ... | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | Deposit date: | 2023-11-20 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.23 Å) | Cite: | 1918 H1N1 Viral polymerase heterotrimer in complex with 4 repeat serine-5 phosphorylated PolII peptide with ordered PB2 C-terminal domains To Be Published
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6F8R
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![BU of 6f8r by Molmil](/molmil-images/mine/6f8r) | Crystal structure of the PDE4D catalytic domain in complex with GEBR-54 | Descriptor: | (2~{S})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Prosdocimi, T, Donini, S, Parisini, E. | Deposit date: | 2017-12-13 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.826 Å) | Cite: | Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds. Biochemistry, 57, 2018
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6FDC
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![BU of 6fdc by Molmil](/molmil-images/mine/6fdc) | Crystal structure of the PDE4D catalytic domain in complex with GEBR-32a | Descriptor: | (2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol, (2~{S})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol, 1,2-ETHANEDIOL, ... | Authors: | Prosdocimi, T, Donini, S, Parisini, E. | Deposit date: | 2017-12-22 | Release date: | 2018-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds. Biochemistry, 57, 2018
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6YBC
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![BU of 6ybc by Molmil](/molmil-images/mine/6ybc) | RNASE 3/1 version2 phosphate complex | Descriptor: | GLYCEROL, PHOSPHATE ION, RNASE 3/1 version2 | Authors: | Fernandez-Millan, P, Prats-Ejarque, G, Vazquez-Monteagudo, S, Boix, E. | Deposit date: | 2020-03-16 | Release date: | 2021-10-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Exploring the RNase A scaffold to combine catalytic and antimicrobial activities. Structural characterization of RNase 3/1 chimeras. Front Mol Biosci, 9, 2022
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5EUE
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![BU of 5eue by Molmil](/molmil-images/mine/5eue) | S1P Lyase Bacterial Surrogate bound to N-(2-((4-methoxy-2,5-dimethylbenzyl)amino)-1-phenylethyl)-5-methylisoxazole-3-carboxamide | Descriptor: | PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide | Authors: | Argiriadi, M.A, Banach, D, Radziejewska, E, Marchie, S, DiMauro, J, Dinges, J, Dominguez, E, Hutchins, C, Judge, R.A, Queeney, K, Wallace, G, Harris, C.M. | Deposit date: | 2015-11-18 | Release date: | 2016-03-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Creation of a S1P Lyase bacterial surrogate for structure-based drug design. Bioorg.Med.Chem.Lett., 26, 2016
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7K8Q
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![BU of 7k8q by Molmil](/molmil-images/mine/7k8q) | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment, C121 | Descriptor: | C121 Fab Heavy Chain, C121 Fab Light Chain, GLYCEROL | Authors: | Abernathy, M.E, Barnes, C.O, Bjorkman, P.J. | Deposit date: | 2020-09-27 | Release date: | 2020-10-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies. Nature, 588, 2020
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2BNQ
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![BU of 2bnq by Molmil](/molmil-images/mine/2bnq) | Structural and kinetic basis for heightened immunogenicity of T cell vaccines | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, SYNTHETIC PEPTIDE, ... | Authors: | Chen, J.-L, Stewart-Jones, G, Bossi, G, Lissin, N.M, Wooldridge, L, Choi, E.M.L, Held, G, Dunbar, P.R, Esnouf, R.M, Sami, M, Boultier, J.M, Rizkallah, P.J, Renner, C, Sewell, A, van der Merwe, P.A, Jackobsen, B.K, Griffiths, G, Jones, E.Y, Cerundolo, V. | Deposit date: | 2005-03-31 | Release date: | 2005-05-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Kinetic Basis for Heightened Immunogenicity of T Cell Vaccines J.Exp.Med., 201, 2005
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1S4E
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![BU of 1s4e by Molmil](/molmil-images/mine/1s4e) | Pyrococcus furiosus galactokinase in complex with galactose, ADP and magnesium | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Galactokinase, MAGNESIUM ION, ... | Authors: | Hartley, A, Glynn, S.E, Barynin, V, Baker, P.J, Sedelnikova, S.E, Verhees, C, de Geus, D, van der Oost, J, Timson, D.J, Reece, R.J, Rice, D.W. | Deposit date: | 2004-01-16 | Release date: | 2004-04-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Substrate specificity and mechanism from the structure of Pyrococcus furiosus galactokinase J.Mol.Biol., 337, 2004
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5EUD
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![BU of 5eud by Molmil](/molmil-images/mine/5eud) | S1P Lyase Bacterial Surrogate bound to N-(1-(4-(3-hydroxyprop-1-yn-1-yl)phenyl)-2-((4-methoxy-2,5-dimethylbenzyl)amino)ethyl)-5-methylisoxazole-3-carboxamide | Descriptor: | PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-[4-(3-oxidanylprop-1-ynyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide | Authors: | Argiriadi, M.A, Banach, D, Radziejewska, E, Marchie, S, DiMauro, J, Dinges, J, Dominguez, E, Hutchins, C, Judge, R.A, Queeney, K, Wallace, G, Harris, C.M. | Deposit date: | 2015-11-18 | Release date: | 2016-03-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Creation of a S1P Lyase bacterial surrogate for structure-based drug design. Bioorg.Med.Chem.Lett., 26, 2016
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2BO7
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![BU of 2bo7 by Molmil](/molmil-images/mine/2bo7) | DISSECTION OF MANNOSYLGLYCERATE SYNTHASE: AN ARCHETYPAL MANNOSYLTRANSFERASE | Descriptor: | COBALT (II) ION, GUANOSINE-5'-DIPHOSPHATE, MANNOSYLGLYCERATE SYNTHASE | Authors: | Flint, J, Taylor, E, Yang, M, Bolam, D.N, Tailford, L.E, Martinez-Fleites, C, Dodson, E.J, Davis, B.G, Gilbert, H.J, Davies, G.J. | Deposit date: | 2005-04-08 | Release date: | 2005-06-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural dissection and high-throughput screening of mannosylglycerate synthase. Nat. Struct. Mol. Biol., 12, 2005
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6FLM
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![BU of 6flm by Molmil](/molmil-images/mine/6flm) | |
7TOK
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![BU of 7tok by Molmil](/molmil-images/mine/7tok) | Crystal structure of the CBM domain of carbohydrate esterase FjoAcXE | Descriptor: | Acetylxylan esterase I | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | Deposit date: | 2022-01-24 | Release date: | 2022-04-13 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans. Molecules, 27, 2022
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1GI0
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![BU of 1gi0 by Molmil](/molmil-images/mine/1gi0) | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | Descriptor: | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | Deposit date: | 2001-01-22 | Release date: | 2002-01-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site. J.Mol.Biol., 307, 2001
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6V1C
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![BU of 6v1c by Molmil](/molmil-images/mine/6v1c) | Crystal structure of human trefoil factor 3 in complex with its cognate ligand | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, Trefoil factor 3 | Authors: | Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D. | Deposit date: | 2019-11-20 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Trefoil factors share a lectin activity that defines their role in mucus. Nat Commun, 11, 2020
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7Z2N
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![BU of 7z2n by Molmil](/molmil-images/mine/7z2n) | Tubulin-18-complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Muehlethaler, T, Prota, A.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2022-02-28 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Novel fragment-derived colchicine-site binders as microtubule-destabilizing agents. Eur.J.Med.Chem., 241, 2022
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1GJ4
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![BU of 1gj4 by Molmil](/molmil-images/mine/1gj4) | SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN | Descriptor: | 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ... | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-27 | Release date: | 2002-04-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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1YQ2
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![BU of 1yq2 by Molmil](/molmil-images/mine/1yq2) | beta-galactosidase from Arthrobacter sp. C2-2 (isoenzyme C2-2-1) | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Skalova, T, Dohnalek, J, Spiwok, V, Lipovova, P, Vondrackova, E, Petrokova, H, Strnad, H, Kralova, B, Hasek, J. | Deposit date: | 2005-02-01 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cold-active beta-Galactosidase from Arthrobacter sp. C2-2 Forms Compact 660kDa Hexamers: Crystal Structure at 1.9A Resolution J.Mol.Biol., 353, 2005
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8R6Y
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![BU of 8r6y by Molmil](/molmil-images/mine/8r6y) | Structure of the SFTSV L protein stalled in a transcription-specific early elongation state with bound capped RNA [TRANSCRIPTION-EARLY-ELONGATION] | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, MAGNESIUM ION, RNA (5'-R(*(M7G)*AP*AP*A)-3'), ... | Authors: | Williams, H.M, Thorkelsson, S.R, Vogel, D, Busch, C, Milewski, M, Cusack, S, Grunewald, K, Quemin, E.R.J, Rosenthal, M. | Deposit date: | 2023-11-23 | Release date: | 2024-04-24 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural snapshots of phenuivirus cap-snatching and transcription. Nucleic Acids Res., 52, 2024
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