5JXF
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![BU of 5jxf by Molmil](/molmil-images/mine/5jxf) | Crystal structure of Flavobacterium psychrophilum DPP11 in complex with dipeptide Arg-Asp | Descriptor: | ARGININE, ASPARTIC ACID, Asp/Glu-specific dipeptidyl-peptidase, ... | Authors: | Bezerra, G.A, Fedosyuk, S, Ohara-Nemoto, Y, Nemoto, T.K, Djinovic-Carugo, K. | Deposit date: | 2016-05-13 | Release date: | 2017-06-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bacterial protease uses distinct thermodynamic signatures for substrate recognition. Sci Rep, 7, 2017
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4DF2
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![BU of 4df2 by Molmil](/molmil-images/mine/4df2) | P. stipitis OYE2.6 complexed with p-Chlorophenol | Descriptor: | 4-chlorophenol, FLAVIN MONONUCLEOTIDE, MALONIC ACID, ... | Authors: | Pompeu, Y.A, Stewart, J.D. | Deposit date: | 2012-01-22 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.021 Å) | Cite: | Structural and Catalytic Characterization of Pichia stipitis OYE 2.6, a Useful Biocatalyst for Asymmetric Alkene Reductions Adv.Synth.Catal., 2012
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5JRP
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![BU of 5jrp by Molmil](/molmil-images/mine/5jrp) | crystal structure of monoclonal antibody MR78 Fab | Descriptor: | SODIUM ION, marberg virus monoclonal antibody MR78 Fab heavy chain, marberg virus monoclonal antibody MR78 Fab light chain | Authors: | Dong, J, Crowe, J. | Deposit date: | 2016-05-06 | Release date: | 2017-11-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Role of Non-local Interactions between CDR Loops in Binding Affinity of MR78 Antibody to Marburg Virus Glycoprotein. Structure, 25, 2017
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5JSF
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![BU of 5jsf by Molmil](/molmil-images/mine/5jsf) | Crystal structure of 17beta-hydroxysteroid dehydrogenase 14 S205 variant in complex with NAD. | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | Deposit date: | 2016-05-08 | Release date: | 2016-07-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.842 Å) | Cite: | New Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor. J.Med.Chem., 59, 2016
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2Q3L
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2Q69
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![BU of 2q69 by Molmil](/molmil-images/mine/2q69) | Crystal Structure of Nak channel D66N mutant | Descriptor: | CALCIUM ION, Potassium channel protein, SODIUM ION | Authors: | Alam, A, Shi, N, Jiang, Y. | Deposit date: | 2007-06-04 | Release date: | 2007-10-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insight into Ca2+ specificity in tetrameric cation channels. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2WFT
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![BU of 2wft by Molmil](/molmil-images/mine/2wft) | Crystal structure of the human HIP ectodomain | Descriptor: | CHLORIDE ION, HEDGEHOG-INTERACTING PROTEIN, SODIUM ION | Authors: | Bishop, B, Aricescu, A.R, Harlos, K, O'Callaghan, C.A, Jones, E.Y, Siebold, C. | Deposit date: | 2009-04-15 | Release date: | 2009-06-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Insights Into Hedgehog Ligand Sequestration by the Human Hedgehog-Interacting Protein Hip Nat.Struct.Mol.Biol., 16, 2009
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3G3H
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2WDV
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![BU of 2wdv by Molmil](/molmil-images/mine/2wdv) | E. coli succinate:quinone oxidoreductase (SQR) with an empty quinone- binding pocket | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G. | Deposit date: | 2009-03-26 | Release date: | 2009-08-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of Escherichia Coli Succinate:Quinone Oxidoreductase with an Occupied and Empty Quinone- Binding Site. J.Biol.Chem., 284, 2009
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2WDR
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![BU of 2wdr by Molmil](/molmil-images/mine/2wdr) | E. coli succinate:quinone oxidoreductase (SQR) with pentachlorophenol bound | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G. | Deposit date: | 2009-03-25 | Release date: | 2009-08-25 | Last modified: | 2015-02-04 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of Escherichia Coli Succinate:Quinone Oxidoreductase with an Occupied and Empty Quinone- Binding Site. J.Biol.Chem., 284, 2009
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4BZ3
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![BU of 4bz3 by Molmil](/molmil-images/mine/4bz3) | Crystal structure of the metallo-beta-lactamase VIM-2 | Descriptor: | BETA-LACTAMASE VIM-2, FORMIC ACID, SODIUM ION, ... | Authors: | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | Deposit date: | 2013-07-23 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.294 Å) | Cite: | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers. Antimicrob. Agents Chemother., 60, 2015
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5IYU
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![BU of 5iyu by Molmil](/molmil-images/mine/5iyu) | AlgE_CIM | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Alginate production protein AlgE, ... | Authors: | Ma, P, Weichert, D. | Deposit date: | 2016-03-24 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The cubicon method for concentrating membrane proteins in the cubic mesophase. Nat Protoc, 12, 2017
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5JID
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![BU of 5jid by Molmil](/molmil-images/mine/5jid) | Crystal Structure of Human Transthyretin in Complex with Perfluorooctanoic acid (PFOA) | Descriptor: | SODIUM ION, Transthyretin, pentadecafluorooctanoic acid | Authors: | Begum, A, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E. | Deposit date: | 2016-04-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin. Environ. Sci. Technol., 50, 2016
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3C2M
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![BU of 3c2m by Molmil](/molmil-images/mine/3c2m) | Ternary complex of DNA POLYMERASE BETA with a G:dAPCPP mismatch in the active site | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, DNA (5'-D(*DCP*DCP*DGP*DAP*DCP*DGP*DGP*DCP*DGP*DCP*DAP*DTP*DCP*DAP*DGP*DC)-3'), ... | Authors: | Batra, V.K, Beard, W.A, Shock, D.D, Pedersen, L.C, Wilson, S.H. | Deposit date: | 2008-01-25 | Release date: | 2008-05-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structures of DNA polymerase beta with active-site mismatches suggest a transient abasic site intermediate during misincorporation. Mol.Cell, 30, 2008
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2W4M
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![BU of 2w4m by Molmil](/molmil-images/mine/2w4m) | The Crystal Structure of human N-acetylneuraminic acid phosphatase, NANP | Descriptor: | CHLORIDE ION, N-ACYLNEURAMINATE-9-PHOSPHATASE, PHOSPHATE ION, ... | Authors: | Ugochukwu, E, Cocking, R, Yue, W.W, Pike, A.C.W, Roos, A, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U. | Deposit date: | 2008-11-28 | Release date: | 2008-12-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Crystal Structure of Human N-Acetylneuraminic Acid Phosphatase, Nanp To be Published
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2X5X
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![BU of 2x5x by Molmil](/molmil-images/mine/2x5x) | The crystal structure of PhaZ7 at atomic (1.2 Angstrom) resolution reveals details of the active site and suggests a substrate binding mode | Descriptor: | CHLORIDE ION, IODIDE ION, PHB DEPOLYMERASE PHAZ7, ... | Authors: | Wakadkar, S, Hermawan, S, Jendrossek, D, Papageorgiou, A.C. | Deposit date: | 2010-02-11 | Release date: | 2010-06-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The structure of PhaZ7 at atomic (1.2 A) resolution reveals details of the active site and suggests a substrate-binding mode. Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 66, 2010
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4BRF
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![BU of 4brf by Molmil](/molmil-images/mine/4brf) | Legionella pneumophila NTPDase1 crystal form II (closed) in complex with a distorted orthomolybdate ion and AMP | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, ... | Authors: | Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. | Deposit date: | 2013-06-04 | Release date: | 2013-07-17 | Last modified: | 2014-05-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
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1OUG
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![BU of 1oug by Molmil](/molmil-images/mine/1oug) | CONTRIBUTION OF HYDROPHOBIC RESIDUES TO THE STABILITY OF HUMAN LYSOZYME: X-RAY STRUCTURE OF THE V2A MUTANT | Descriptor: | LYSOZYME, SODIUM ION | Authors: | Takano, K, Yamagata, Y, Fujii, S, Yutani, K. | Deposit date: | 1996-08-23 | Release date: | 1997-02-12 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Contribution of the hydrophobic effect to the stability of human lysozyme: calorimetric studies and X-ray structural analyses of the nine valine to alanine mutants. Biochemistry, 36, 1997
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2WYV
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![BU of 2wyv by Molmil](/molmil-images/mine/2wyv) | High resolution structure of Thermus thermophilus enoyl-acyl carrier protein reductase NAD-form | Descriptor: | ENOYL-[ACYL CARRIER PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | Authors: | Otero, J.M, Noel, A.J, Guardado-Calvo, P, Llamas-Saiz, A.L, van Raaij, M.J. | Deposit date: | 2009-11-20 | Release date: | 2010-11-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | High-resolution structures of Thermus thermophilus enoyl-acyl carrier protein reductase in the apo form, in complex with NAD+ and in complex with NAD+ and triclosan. Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 68, 2012
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2WYU
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![BU of 2wyu by Molmil](/molmil-images/mine/2wyu) | High resolution structure of Thermus thermophilus enoyl-acyl carrier protein reductase apo-form | Descriptor: | ENOYL-[ACYL CARRIER PROTEIN] REDUCTASE, GLYCEROL, SODIUM ION | Authors: | Otero, J.M, Noel, A.J, Guardado-Calvo, P, Llamas-Saiz, A.L, van Raaij, M.J. | Deposit date: | 2009-11-20 | Release date: | 2010-11-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High-resolution structures of Thermus thermophilus enoyl-acyl carrier protein reductase in the apo form, in complex with NAD+ and in complex with NAD+ and triclosan. Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 68, 2012
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2X76
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![BU of 2x76 by Molmil](/molmil-images/mine/2x76) | The crystal structure of PhaZ7 at atomic (1.2 Angstrom) resolution reveals details of the active site and suggests a substrate binding mode | Descriptor: | CHLORIDE ION, GLYCEROL, IODIDE ION, ... | Authors: | Wakadkar, S, Hermawan, S, Jendrossek, D, Papageorgiou, A.C. | Deposit date: | 2010-02-24 | Release date: | 2010-06-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The structure of PhaZ7 at atomic (1.2 A) resolution reveals details of the active site and suggests a substrate-binding mode. Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 66, 2010
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1P59
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![BU of 1p59 by Molmil](/molmil-images/mine/1p59) | Structure of a non-covalent Endonuclease III-DNA Complex | Descriptor: | 5'-D(*AP*AP*GP*AP*CP*GP*(5IU)P*GP*GP*AP*C)-3', 5'-D(TP*GP*(5IU)P*CP*CP*AP*(3DR)P*GP*(5IU)P*CP*T)-3', Endonuclease III, ... | Authors: | Fromme, J.C, Verdine, G.L. | Deposit date: | 2003-04-25 | Release date: | 2003-07-15 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a Trapped Endonuclease III-DNA Covalent Intermediate Embo J., 22, 2003
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4ETM
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![BU of 4etm by Molmil](/molmil-images/mine/4etm) | Crystal structure of YfkJ from Bacillus subtilis | Descriptor: | Low molecular weight protein-tyrosine-phosphatase yfkJ, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Cao, X.F, Su, X.D. | Deposit date: | 2012-04-24 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of YfkJ from Bacillus subtilis To be published
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2VWO
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![BU of 2vwo by Molmil](/molmil-images/mine/2vwo) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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5K0E
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![BU of 5k0e by Molmil](/molmil-images/mine/5k0e) | Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole | Descriptor: | 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, ... | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | Deposit date: | 2016-05-17 | Release date: | 2016-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of COMT To Be Published
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