4XA2
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2DIK
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![BU of 2dik by Molmil](/molmil-images/mine/2dik) | R337A MUTANT OF PYRUVATE PHOSPHATE DIKINASE | Descriptor: | PROTEIN (PYRUVATE PHOSPHATE DIKINASE), SULFATE ION | Authors: | Huang, K, Herzberg, O. | Deposit date: | 1998-09-03 | Release date: | 1999-09-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Location of the phosphate binding site within Clostridium symbiosum pyruvate phosphate dikinase. Biochemistry, 37, 1998
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7MYV
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![BU of 7myv by Molmil](/molmil-images/mine/7myv) | Plasmodium falciparum HAD5/PMM | Descriptor: | MAGNESIUM ION, Phosphomannomutase | Authors: | Frasse, P.M, Odom John, A.R, Goldberg, D.E. | Deposit date: | 2021-05-21 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.51 Å) | Cite: | Enzymatic and structural characterization of HAD5, an essential phosphomannomutase of malaria-causing parasites. J.Biol.Chem., 298, 2022
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5F5W
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5F46
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![BU of 5f46 by Molmil](/molmil-images/mine/5f46) | Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample, apoenzyme form | Descriptor: | CHLORIDE ION, aminoglycoside acetyltransferase meta-AAC0020 | Authors: | Xu, Z, Skarina, T, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-12-03 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes. ACS Infect Dis, 3, 2017
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5F48
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![BU of 5f48 by Molmil](/molmil-images/mine/5f48) | Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with coenzyme A | Descriptor: | CHLORIDE ION, COENZYME A, MAGNESIUM ION, ... | Authors: | Xu, Z, Skarina, T, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-12-03 | Release date: | 2015-12-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes. ACS Infect Dis, 3, 2017
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4XUC
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![BU of 4xuc by Molmil](/molmil-images/mine/4xuc) | Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd18 (1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one) | Descriptor: | 1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, ... | Authors: | Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M. | Deposit date: | 2015-01-25 | Release date: | 2015-04-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT). Acs Med.Chem.Lett., 6, 2015
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1IMX
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![BU of 1imx by Molmil](/molmil-images/mine/1imx) | 1.8 Angstrom crystal structure of IGF-1 | Descriptor: | BROMIDE ION, Insulin-like Growth Factor 1A, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE | Authors: | Vajdos, F.F, Ultsch, M, Schaffer, M.L, Deshayes, K.D, Liu, J, Skelton, N.J, de Vos, A.M. | Deposit date: | 2001-05-11 | Release date: | 2001-09-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structure of human insulin-like growth factor-1: detergent binding inhibits binding protein interactions. Biochemistry, 40, 2001
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5F47
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![BU of 5f47 by Molmil](/molmil-images/mine/5f47) | Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with trehalose | Descriptor: | CALCIUM ION, CHLORIDE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, ... | Authors: | Xu, Z, Skarina, T, Wawrzak, Z, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-12-03 | Release date: | 2015-12-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes. ACS Infect Dis, 3, 2017
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4XUD
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![BU of 4xud by Molmil](/molmil-images/mine/4xud) | Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd32 ([1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, MAGNESIUM ION, ... | Authors: | Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M. | Deposit date: | 2015-01-25 | Release date: | 2015-04-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT). Acs Med.Chem.Lett., 6, 2015
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1FN8
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![BU of 1fn8 by Molmil](/molmil-images/mine/1fn8) | FUSARIUM OXYSPORUM TRYPSIN AT ATOMIC RESOLUTION | Descriptor: | GLY-ALA-ARG, GLYCEROL, SULFATE ION, ... | Authors: | Rypniewski, W.R, Oestergaard, P, Noerregaard-Madsen, M, Dauter, M, Wilson, K.S. | Deposit date: | 2000-08-21 | Release date: | 2001-02-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (0.81 Å) | Cite: | Fusarium oxysporum trypsin at atomic resolution at 100 and 283 K: a study of ligand binding. Acta Crystallogr.,Sect.D, 57, 2001
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2ZNB
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![BU of 2znb by Molmil](/molmil-images/mine/2znb) | METALLO-BETA-LACTAMASE (CADMIUM-BOUND FORM) | Descriptor: | CADMIUM ION, METALLO-BETA-LACTAMASE, SODIUM ION | Authors: | Concha, N.O, Herzberg, O. | Deposit date: | 1997-10-14 | Release date: | 1998-01-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures of the cadmium- and mercury-substituted metallo-beta-lactamase from Bacteroides fragilis. Protein Sci., 6, 1997
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1BOG
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![BU of 1bog by Molmil](/molmil-images/mine/1bog) | ANTI-P24 (HIV-1) FAB FRAGMENT CB41 COMPLEXED WITH AN EPITOPE-HOMOLOGOUS PEPTIDE | Descriptor: | ANTIBODY (CB 4-1), PEPTIDE | Authors: | Keitel, T, Kramer, A, Wessner, H, Scholz, C, Schneider-Mergener, J, Hoehne, W. | Deposit date: | 1998-08-04 | Release date: | 1999-03-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystallographic analysis of anti-p24 (HIV-1) monoclonal antibody cross-reactivity and polyspecificity. Cell(Cambridge,Mass.), 91, 1997
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5YL7
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![BU of 5yl7 by Molmil](/molmil-images/mine/5yl7) | Proteases from Pseudoalteromonas arctica PAMC 21717 (Pro21717) | Descriptor: | CALCIUM ION, Copurified unknown peptide, Pseudoalteromonas arctica PAMC 21717 | Authors: | Lee, J.H, Lee, C.W. | Deposit date: | 2017-10-17 | Release date: | 2018-01-31 | Last modified: | 2018-09-12 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of a cold-active protease (Pro21717) from the psychrophilic bacterium, Pseudoalteromonas arctica PAMC 21717, at 1.4 angstrom resolution: Structural adaptations to cold and functional analysis of a laundry detergent enzyme PLoS ONE, 13, 2018
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1FRP
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![BU of 1frp by Molmil](/molmil-images/mine/1frp) | CRYSTAL STRUCTURE OF FRUCTOSE-1,6-BISPHOSPHATASE COMPLEXED WITH FRUCTOSE-2,6-BISPHOSPHATE, AMP AND ZN2+ AT 2.0 ANGSTROMS RESOLUTION. ASPECTS OF SYNERGISM BETWEEN INHIBITORS | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, FRUCTOSE 1,6-BISPHOSPHATASE, ... | Authors: | Xue, Y, Huang, S, Liang, J.-Y, Zhang, Y, Lipscomb, W.N. | Deposit date: | 1994-08-26 | Release date: | 1994-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of fructose-1,6-bisphosphatase complexed with fructose 2,6-bisphosphate, AMP, and Zn2+ at 2.0-A resolution: aspects of synergism between inhibitors. Proc.Natl.Acad.Sci.USA, 91, 1994
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7OC7
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![BU of 7oc7 by Molmil](/molmil-images/mine/7oc7) | LasB, alpha-alkyl-N-aryl mercaptoacetamide | Descriptor: | (2R)-N,3-diphenyl-2-sulfanyl-propanamide, CALCIUM ION, Neutral metalloproteinase, ... | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2021-04-26 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Substrate-Inspired Fragment Merging and Growing Affords Efficacious LasB Inhibitors. Angew.Chem.Int.Ed.Engl., 61, 2022
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4XUE
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![BU of 4xue by Molmil](/molmil-images/mine/4xue) | Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd27b | Descriptor: | 2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one, Catechol O-methyltransferase, MAGNESIUM ION, ... | Authors: | Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M. | Deposit date: | 2015-01-25 | Release date: | 2015-04-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT). Acs Med.Chem.Lett., 6, 2015
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5G3M
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![BU of 5g3m by Molmil](/molmil-images/mine/5g3m) | Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor. | Descriptor: | 4-BENZYLBENZAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sandmark, J, Bodin, C, Hallberg, K. | Deposit date: | 2016-04-29 | Release date: | 2016-09-14 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of Azd2716: A Novel Secreted Phospholipase A2 (Spla2) Inhibitor for the Treatment of Coronary Artery Disease Acs Med.Chem.Lett., 7, 2016
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5JIR
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![BU of 5jir by Molmil](/molmil-images/mine/5jir) | Crystal structure of Treponema pallidum protein Tp0624 | Descriptor: | CHLORIDE ION, GLYCEROL, OOP family OmpA-OmpF porin | Authors: | Parker, M.L, Boulanger, M.J. | Deposit date: | 2016-04-22 | Release date: | 2016-11-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Structure of Treponema pallidum Tp0624 Reveals a Modular Assembly of Divergently Functionalized and Previously Uncharacterized Domains. Plos One, 11, 2016
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8AEU
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![BU of 8aeu by Molmil](/molmil-images/mine/8aeu) | Structure of hMDM2 in complex with Nutlin-3a-aa | Descriptor: | 4-[[(4~{S},5~{R})-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]-3-methylidene-piperazin-2-one, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2 | Authors: | Labuzek, B, Golik, P, Magiera-Mularz, K, Berg, T. | Deposit date: | 2022-07-13 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Nutlin-3a-aa: Improving the Bioactivity of a p53/MDM2 Interaction Inhibitor by Introducing a Solvent-Exposed Methylene Group. Chembiochem, 24, 2023
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1C9C
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![BU of 1c9c by Molmil](/molmil-images/mine/1c9c) | ASPARTATE AMINOTRANSFERASE COMPLEXED WITH C3-PYRIDOXAL-5'-PHOSPHATE | Descriptor: | ALANYL-PYRIDOXAL-5'-PHOSPHATE, ASPARTATE AMINOTRANSFERASE | Authors: | Ishijima, J, Nakai, T, Kawaguchi, S, Hirotsu, K, Kuramitsu, S. | Deposit date: | 1999-08-02 | Release date: | 2000-12-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Free energy requirement for domain movement of an enzyme J.Biol.Chem., 275, 2000
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1HK8
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![BU of 1hk8 by Molmil](/molmil-images/mine/1hk8) | STRUCTURAL BASIS FOR ALLOSTERIC SUBSTRATE SPECIFICITY REGULATION IN CLASS III RIBONUCLEOTIDE REDUCTASES: NRDD IN COMPLEX WITH DGTP | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ANAEROBIC RIBONUCLEOTIDE-TRIPHOSPHATE REDUCTASE, MANGANESE (II) ION, ... | Authors: | Larsson, K.-M, Andersson, J, Sjoeberg, B.-M, Nordlund, P, Logan, D.T. | Deposit date: | 2003-03-06 | Release date: | 2003-03-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A Metal-Binding Site in the Catalytic Subunit of Anaerobic Ribonucleotide Reductase. Proc.Natl.Acad.Sci.USA, 100, 2003
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5JZE
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![BU of 5jze by Molmil](/molmil-images/mine/5jze) | Erve virus viral OTU domain protease in complex with mouse ISG15 | Descriptor: | CITRATE ANION, RNA-dependent RNA polymerase, Ubiquitin-like protein ISG15, ... | Authors: | Deaton, M.K, Dzimianski, J.V, Pegan, S.D. | Deposit date: | 2016-05-16 | Release date: | 2016-10-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Biochemical and Structural Insights into the Preference of Nairoviral DeISGylases for Interferon-Stimulated Gene Product 15 Originating from Certain Species. J.Virol., 90, 2016
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5F49
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![BU of 5f49 by Molmil](/molmil-images/mine/5f49) | Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with malonyl-coenzyme A | Descriptor: | COENZYME A, MAGNESIUM ION, MALONYL-COENZYME A, ... | Authors: | Xu, Z, Skarina, T, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-12-03 | Release date: | 2015-12-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes. ACS Infect Dis, 3, 2017
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4YNL
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![BU of 4ynl by Molmil](/molmil-images/mine/4ynl) | Crystal structure of the hood domain of Anabaena HetR in complex with the hexapeptide ERGSGR derived from PatS | Descriptor: | Heterocyst differentiation control protein, Heterocyst inhibition-signaling peptide | Authors: | Hu, H.X, Jiang, Y.L, Zhao, M.X, Zhang, C.C, Chen, Y, Zhou, C.Z. | Deposit date: | 2015-03-10 | Release date: | 2015-12-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights into HetR-PatS interaction involved in cyanobacterial pattern formation Sci Rep, 5, 2015
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