2EUQ
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![BU of 2euq by Molmil](/molmil-images/mine/2euq) | Cytochrome c peroxydase (CCP) in complex with 3-thienylmethylamine | Descriptor: | 1-THIEN-3-YLMETHANAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome c peroxidase | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | Deposit date: | 2005-10-29 | Release date: | 2006-04-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Probing molecular docking in a charged model binding site. J.Mol.Biol., 357, 2006
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2A4J
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![BU of 2a4j by Molmil](/molmil-images/mine/2a4j) | Solution structure of the C-terminal domain (T94-Y172) of the human centrin 2 in complex with a 17 residues peptide (P1-XPC) from xeroderma pigmentosum group C protein | Descriptor: | 17-mer peptide P1-XPC from DNA-repair protein complementing XP-C cells, Centrin 2 | Authors: | Yang, A, Miron, S, Mouawad, L, Duchambon, P, Blouquit, Y, Craescu, C.T. | Deposit date: | 2005-06-29 | Release date: | 2005-07-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Flexibility and plasticity of human centrin 2 binding to the xeroderma pigmentosum group C protein (XPC) from nuclear excision repair. Biochemistry, 45, 2006
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2A87
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![BU of 2a87 by Molmil](/molmil-images/mine/2a87) | Crystal Structure of M. tuberculosis Thioredoxin reductase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Akif, M, Suhre, K, Verma, C, Mande, S.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-07-07 | Release date: | 2005-11-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Conformational flexibility of Mycobacterium tuberculosis thioredoxin reductase: crystal structure and normal-mode analysis. Acta Crystallogr.,Sect.D, 61, 2005
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2FAE
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![BU of 2fae by Molmil](/molmil-images/mine/2fae) | Crystal structure of E. coli decanoyl-ACP | Descriptor: | Acyl carrier protein, O-PHOSPHOETHANOLAMINE, S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) DECANETHIOATE, ... | Authors: | Roujeinikova, A. | Deposit date: | 2005-12-07 | Release date: | 2006-09-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Studies of Fatty Acyl-(Acyl Carrier Protein) Thioesters Reveal a Hydrophobic Binding Cavity that Can Expand to Fit Longer Substrates. J.Mol.Biol., 365, 2007
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1GU3
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![BU of 1gu3 by Molmil](/molmil-images/mine/1gu3) | CBM4 structure and function | Descriptor: | ENDOGLUCANASE C, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Nurizzo, D, Notenboom, V, Davies, G.J. | Deposit date: | 2002-01-22 | Release date: | 2002-09-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Differential Oligosaccharide Recognition by Evolutionarily-Related Beta-1,4 and Beta-1,3 Glucan-Binding Modules J.Mol.Biol., 319, 2002
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2AFR
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1H3G
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![BU of 1h3g by Molmil](/molmil-images/mine/1h3g) | Cyclomaltodextrinase from Flavobacterium sp. No. 92: from DNA sequence to protein structure | Descriptor: | CALCIUM ION, Cyclomaltodextrinase | Authors: | Fritzsche, H.B, Schwede, T, Jelakovic, S, Schulz, G.E. | Deposit date: | 2002-09-03 | Release date: | 2003-08-14 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Covalent and Three-Dimensional Structure of the Cyclodextrinase from Flavobacterium Sp. No. 92. Eur.J.Biochem., 270, 2003
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1GUL
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![BU of 1gul by Molmil](/molmil-images/mine/1gul) | HUMAN GLUTATHIONE TRANSFERASE A4-4 COMPLEX WITH IODOBENZYL GLUTATHIONE | Descriptor: | GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE, Glutathione S-transferase A4 | Authors: | Bruns, C.M, Hubatsch, I, Ridderstrom, M, Mannervik, B, Tainer, J.A. | Deposit date: | 1998-06-10 | Release date: | 1999-01-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human glutathione transferase A4-4 crystal structures and mutagenesis reveal the basis of high catalytic efficiency with toxic lipid peroxidation products J.Mol.Biol., 288, 1999
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1GWD
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![BU of 1gwd by Molmil](/molmil-images/mine/1gwd) | Tri-iodide derivative of hen egg-white lysozyme | Descriptor: | 1,2-ETHANEDIOL, CARBON MONOXIDE, CHLORIDE ION, ... | Authors: | Evans, G, Bricogne, G. | Deposit date: | 2002-03-14 | Release date: | 2002-06-06 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Triiodide Derivatization and Combinatorial Counter-Ion Replacement: Two Methods for Enhancing Phasing Signal Using Laboratory Cu Kalpha X-Ray Equipment Acta Crystallogr.,Sect.D, 58, 2002
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2FBP
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![BU of 2fbp by Molmil](/molmil-images/mine/2fbp) | STRUCTURE REFINEMENT OF FRUCTOSE-1,6-BISPHOSPHATASE AND ITS FRUCTOSE 2,6-BISPHOSPHATE COMPLEX AT 2.8 ANGSTROMS RESOLUTION | Descriptor: | FRUCTOSE 1,6-BISPHOSPHATASE | Authors: | Ke, H, Thorpe, C.M, Seaton, B.A, Marcus, F, Lipscomb, W.N. | Deposit date: | 1990-06-07 | Release date: | 1992-04-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure refinement of fructose-1,6-bisphosphatase and its fructose 2,6-bisphosphate complex at 2.8 A resolution. J.Mol.Biol., 212, 1990
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1GXV
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1H6M
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![BU of 1h6m by Molmil](/molmil-images/mine/1h6m) | Covalent glycosyl-enzyme intermediate of hen egg white lysozyme | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose, LYSOZYME C, SODIUM ION | Authors: | Vocadlo, D.J, Davies, G.J, Laine, R, Withers, S.G. | Deposit date: | 2001-06-19 | Release date: | 2001-08-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Catalysis by Hen Egg-White Lysozyme Proceeds Via a Covalent Intermediate Nature, 412, 2001
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1HEP
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1GW1
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![BU of 1gw1 by Molmil](/molmil-images/mine/1gw1) | Substrate distortion by beta-mannanase from Pseudomonas cellulosa | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DINITROPHENYLENE, MANNAN ENDO-1,4-BETA-MANNOSIDASE, ... | Authors: | Ducros, V, Zechel, D.L, Gilbert, H.J, Szabo, L, Withers, S.G, Davies, G.J. | Deposit date: | 2002-03-01 | Release date: | 2002-09-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Substrate Distortion by a Beta-Mannanase: Snapshots of the Michaelis and Covalent-Intermediate Complexes Suggest a B2,5 Conformation for the Transition State Angew.Chem.Int.Ed.Engl., 41, 2002
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2FKY
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![BU of 2fky by Molmil](/molmil-images/mine/2fky) | crystal structure of KSP in complex with inhibitor 13 | Descriptor: | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | Authors: | Yan, Y. | Deposit date: | 2006-01-05 | Release date: | 2006-02-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Kinesin spindle protein (KSP) inhibitors. Part 2: the design, synthesis, and characterization of 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP. Bioorg.Med.Chem.Lett., 16, 2006
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2ETX
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![BU of 2etx by Molmil](/molmil-images/mine/2etx) | Crystal Structure of MDC1 Tandem BRCT Domains | Descriptor: | Mediator of DNA damage checkpoint protein 1 | Authors: | Wasielewski, E, Kim, Y, Joachimiak, A, Thompson, J.R, Mer, G. | Deposit date: | 2005-10-27 | Release date: | 2005-11-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Molecular Basis for the Association of Microcephalin (MCPH1) Protein with the Cell Division Cycle Protein 27 (Cdc27) Subunit of the Anaphase-promoting Complex. J.Biol.Chem., 287, 2012
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2EUR
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![BU of 2eur by Molmil](/molmil-images/mine/2eur) | Cytochrome c peroxidase (CCP) in complex with 4-pyridylcarbinol | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, PYRIDIN-4-YLMETHANOL, cytochrome c peroxidase | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | Deposit date: | 2005-10-29 | Release date: | 2006-04-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Probing molecular docking in a charged model binding site. J.Mol.Biol., 357, 2006
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1GZ3
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![BU of 1gz3 by Molmil](/molmil-images/mine/1gz3) | Molecular mechanism for the regulation of human mitochondrial NAD(P)+-dependent malic enzyme by ATP and fumarate | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FUMARIC ACID, MANGANESE (II) ION, ... | Authors: | Yang, Z, Lanks, C.W, Tong, L. | Deposit date: | 2002-05-14 | Release date: | 2003-05-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular Mechanism for the Regulation of Human Mitochondrial Nad(P)+-Dependent Malic Enzyme by ATP and Fumarate Structure, 10, 2002
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1H13
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![BU of 1h13 by Molmil](/molmil-images/mine/1h13) | Structure of a cold-adapted family 8 xylanase | Descriptor: | ENDO-1,4-BETA-XYLANASE | Authors: | Van Petegem, F, Collins, T, Meuwis, M.A, Feller, G, Gerday, C, Van Beeumen, J. | Deposit date: | 2002-07-02 | Release date: | 2003-03-13 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The Structure of a Cold-Adapted Family 8 Xylanase at 1.3 A Resolution: Structural Adaptations to Cold and Investigation of the Active Site J.Biol.Chem., 278, 2003
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1H66
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![BU of 1h66 by Molmil](/molmil-images/mine/1h66) | CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE CO WITH 2,5-diaziridinyl-3-hydroxyl-6-methyl-1,4-benzoquinone | Descriptor: | 2,5-DIAZIRIDIN-1-YL-3-(HYDROXYMETHYL)-6-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | Authors: | Faig, M, Bianchet, M.A, Winski, S, Ross, D, Amzel, L.M. | Deposit date: | 2001-06-06 | Release date: | 2001-09-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Development of Anticancer Drugs: Complexes of Nad(P)H:Quinone Oxidoreductase 1 with Chemotherapeutic Quinones Structure, 9, 2001
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1GTM
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![BU of 1gtm by Molmil](/molmil-images/mine/1gtm) | STRUCTURE OF GLUTAMATE DEHYDROGENASE | Descriptor: | GLUTAMATE DEHYDROGENASE, SULFATE ION | Authors: | Yip, K.S.P, Stillman, T.J, Britton, K.L, Pasquo, A, Rice, D.W. | Deposit date: | 1996-08-22 | Release date: | 1997-01-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of Pyrococcus furiosus glutamate dehydrogenase reveals a key role for ion-pair networks in maintaining enzyme stability at extreme temperatures. Structure, 3, 1995
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1H4H
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![BU of 1h4h by Molmil](/molmil-images/mine/1h4h) | Oligosaccharide-binding to family 11 xylanases: both covalent intermediate and mutant-product complexes display 2,5B conformations at the active-centre | Descriptor: | XYLANASE, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose | Authors: | Sabini, E, Wilson, K.S, Danielsen, S, Schulein, M, Davies, G.J. | Deposit date: | 2001-05-11 | Release date: | 2002-05-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Catalysis and Specificity in Enzymatic Glycoside Hydrolysis: A 2,5B Conformation for the Glycosyl-Enzyme Intermediate Revealed by the Structure of the Bacillus Agaradhaerens Family 11 Xylanase. Chem.Biol., 6, 1999
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1H5O
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![BU of 1h5o by Molmil](/molmil-images/mine/1h5o) | Solution structure of Crotamine, a neurotoxin from Crotalus durissus terrificus | Descriptor: | MYOTOXIN | Authors: | Nicastro, G, Franzoni, L, De Chiara, C, Mancin, C.A, Giglio, J.R, Spisni, A. | Deposit date: | 2001-05-23 | Release date: | 2003-05-09 | Last modified: | 2013-07-24 | Method: | SOLUTION NMR | Cite: | Solution Structure of Crotamine, a Na+ Channel Affecting Toxin from Crotalus Durissus Terrificus Venom Eur.J.Biochem., 270, 2003
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1HEQ
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1H4J
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![BU of 1h4j by Molmil](/molmil-images/mine/1h4j) | Methylobacterium extorquens methanol dehydrogenase D303E mutant | Descriptor: | CALCIUM ION, Methanol dehydrogenase [cytochrome c] subunit 1, Methanol dehydrogenase [cytochrome c] subunit 2, ... | Authors: | Mohammed, F, Gill, R, Thompson, D, Cooper, J.B, Wood, S.P, Afolabi, P.R, Anthony, C. | Deposit date: | 2001-05-11 | Release date: | 2001-08-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Site-Directed Mutagenesis and X-Ray Crystallography of the Pqq-Containing Quinoprotein Methanol Dehydrogenase and its Electron Acceptor, Cytochrome C(L)(,) Biochemistry, 40, 2001
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