6JZ1
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2JK6
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![BU of 2jk6 by Molmil](/molmil-images/mine/2jk6) | Structure of Trypanothione Reductase from Leishmania infantum | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TRYPANOTHIONE REDUCTASE | Authors: | Baiocco, P, Colotti, G, Franceschini, S, Ilari, A. | Deposit date: | 2008-08-21 | Release date: | 2009-04-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Molecular Basis of Antimony Treatment in Leishmaniasis. J.Med.Chem., 52, 2009
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4Q10
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![BU of 4q10 by Molmil](/molmil-images/mine/4q10) | The catalytic core of Rad2 in complex with DNA substrate (complex IV) | Descriptor: | CALCIUM ION, DNA (5'-D(*TP*TP*TP*TP*CP*TP*GP*AP*GP*AP*CP*AP*AP*GP*GP*GP*AP*GP*CP*TP*TP*TP*T)-3'), DNA (5'-D(*TP*TP*TP*TP*GP*CP*TP*CP*CP*CP*TP*TP*GP*TP*CP*TP*CP*AP*GP*TP*TP*TP*T)-3'), ... | Authors: | Mietus, M, Nowak, E, Jaciuk, M, Kustosz, P, Nowotny, M. | Deposit date: | 2014-04-02 | Release date: | 2014-08-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the catalytic core of Rad2: insights into the mechanism of substrate binding. Nucleic Acids Res., 42, 2014
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2JKP
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![BU of 2jkp by Molmil](/molmil-images/mine/2jkp) | Structure of a family 97 alpha-glucosidase from Bacteroides thetaiotaomicron in complex with castanospermine | Descriptor: | 1,2-ETHANEDIOL, ALPHA-GLUCOSIDASE (ALPHA-GLUCOSIDASE SUSB), CALCIUM ION, ... | Authors: | Gloster, T.M, Turkenburg, J.P, Potts, J.R, Henrissat, B, Davies, G.J. | Deposit date: | 2008-08-29 | Release date: | 2008-09-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Divergence of Catalytic Mechanism within a Glycosidase Family Provides Insight Into Evolution of Carbohydrate Metabolism by Human Gut Flora. Chem.Biol., 15, 2008
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3GL2
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![BU of 3gl2 by Molmil](/molmil-images/mine/3gl2) | Crystal structure of dicamba monooxygenase bound to dicamba | Descriptor: | 3,6-dichloro-2-methoxybenzoic acid, DdmC, FE (III) ION, ... | Authors: | Wilson, M.A, Dumitru, R, Jiang, W.Z, Weeks, D.P. | Deposit date: | 2009-03-11 | Release date: | 2009-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of dicamba monooxygenase: a Rieske nonheme oxygenase that catalyzes oxidative demethylation. J.Mol.Biol., 392, 2009
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4NKV
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2VNV
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![BU of 2vnv by Molmil](/molmil-images/mine/2vnv) | Crystal structure of BclA lectin from burkholderia cenocepacia in complex with alpha-methyl-mannoside at 1.7 Angstrom resolution | Descriptor: | BCLA, CALCIUM ION, SULFATE ION, ... | Authors: | Lameignere, E, Malinovska, L, Mitchell, E.P, Imberty, A, Wimmerova, M. | Deposit date: | 2008-02-07 | Release date: | 2008-04-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis for Mannose Recognition by a Lectin from Opportunistic Bacteria Burkholderia Cenocepacia Biochem.J., 411, 2008
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4NKO
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![BU of 4nko by Molmil](/molmil-images/mine/4nko) | Crystal structure of engineered anti-EE scFv antibody fragment | Descriptor: | Engineered scFv | Authors: | Kalyoncu, S, Hyun, J, Pai, J.C, Johnson, J.L, Etzminger, K, Jain, A, Heaner Jr, D, Molares, I.A, Truskett, T.M, Maynard, J.A, Lieberman, R.L. | Deposit date: | 2013-11-12 | Release date: | 2014-03-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.496 Å) | Cite: | Effects of protein engineering and rational mutagenesis on crystal lattice of single chain antibody fragments. Proteins, 82, 2014
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4NKZ
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![BU of 4nkz by Molmil](/molmil-images/mine/4nkz) | Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate 17alpha-hydroxypregnenolone | Descriptor: | (3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | Scott, E.E, Petrunak, E.M. | Deposit date: | 2013-11-13 | Release date: | 2014-10-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates. J.Biol.Chem., 289, 2014
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4NMB
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![BU of 4nmb by Molmil](/molmil-images/mine/4nmb) | Crystal structure of proline utilization A (PutA) from Geobacter sulfurreducens PCA in complex with L-lactate | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Singh, H, Almo, S.C, Tanner, J.J. | Deposit date: | 2013-11-14 | Release date: | 2014-02-19 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Structures of the PutA peripheral membrane flavoenzyme reveal a dynamic substrate-channeling tunnel and the quinone-binding site. Proc.Natl.Acad.Sci.USA, 111, 2014
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2VR2
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![BU of 2vr2 by Molmil](/molmil-images/mine/2vr2) | Human Dihydropyrimidinase | Descriptor: | CHLORIDE ION, DIHYDROPYRIMIDINASE, ZINC ION | Authors: | Welin, M, Karlberg, T, Andersson, J, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2008-03-25 | Release date: | 2008-04-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Crystal Structure of Human Dihydropyrimidinase To be Published
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2VYA
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![BU of 2vya by Molmil](/molmil-images/mine/2vya) | Crystal Structure of fatty acid amide hydrolase conjugated with the drug-like inhibitor PF-750 | Descriptor: | 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ... | Authors: | Mileni, M, Johnson, D.S, Wang, Z, Everdeen, D.S, Liimatta, M, Pabst, B, Bhattacharya, K, Nugent, R.A, Kamtekar, S, Cravatt, B.F, Ahn, K, Stevens, R.C. | Deposit date: | 2008-07-22 | Release date: | 2008-09-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-Guided Inhibitor Design for Human Faah by Interspecies Active Site Conversion. Proc.Natl.Acad.Sci.USA, 105, 2008
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4PYS
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![BU of 4pys by Molmil](/molmil-images/mine/4pys) | The crystal structure of beta-N-acetylhexosaminidase from Bacteroides fragilis NCTC 9343 | Descriptor: | FORMIC ACID, GLYCEROL, ZINC ION, ... | Authors: | Tan, K, Hatzos-Skintges, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-03-27 | Release date: | 2014-06-18 | Method: | X-RAY DIFFRACTION (1.822 Å) | Cite: | The crystal structure of beta-N-acetylhexosaminidase from Bacteroides fragilis NCTC 9343 To be Published
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3GTH
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![BU of 3gth by Molmil](/molmil-images/mine/3gth) | D71G/E101G/M234I mutant in organophosphorus hydrolase from Deinococcus radiodurans | Descriptor: | COBALT (II) ION, FORMIC ACID, Organophosphorus hydrolase | Authors: | Hawwa, R, Larsen, S, Ratia, K, Mesecar, A. | Deposit date: | 2009-03-27 | Release date: | 2009-06-30 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans. J.Mol.Biol., 393, 2009
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4PXL
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![BU of 4pxl by Molmil](/molmil-images/mine/4pxl) | Structure of Zm ALDH2-3 (RF2C) in complex with NAD | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cytosolic aldehyde dehydrogenase RF2C, ... | Authors: | Morera, S, Vigouroux, A, Kopecny, D. | Deposit date: | 2014-03-24 | Release date: | 2015-03-18 | Last modified: | 2015-05-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Role and structural characterization of plant aldehyde dehydrogenases from family 2 and family 7. Biochem.J., 468, 2015
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3GTS
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![BU of 3gts by Molmil](/molmil-images/mine/3gts) | Crystal Structure of Dicamba Monooxygenase with Non-heme Iron and Dicamba | Descriptor: | 3,6-dichloro-2-methoxybenzoic acid, DdmC, FE (III) ION, ... | Authors: | Rydel, T.J, Sturman, E.J, Moshiri, F, Brown, G.R, Qi, Y. | Deposit date: | 2009-03-28 | Release date: | 2009-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dicamba monooxygenase: structural insights into a dynamic Rieske oxygenase that catalyzes an exocyclic monooxygenation. J.Mol.Biol., 392, 2009
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2WAO
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![BU of 2wao by Molmil](/molmil-images/mine/2wao) | Structure of a family two carbohydrate esterase from Clostridium thermocellum in complex with cellohexaose | Descriptor: | ENDOGLUCANASE E, FORMIC ACID, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Montainer, C, Money, V.A, Pires, V.M.R, Flint, J.E, Pinheiro, B.A, Goyal, A, Prates, J.A.M, Izumi, A, Stalbrand, H, Kolenova, K, Topakas, E, Dodson, E.J, Bolam, D.N, Davies, G.J, Fontes, C.M.G.A, Gilbert, H.J. | Deposit date: | 2009-02-10 | Release date: | 2009-10-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions. Plos Biol., 7, 2009
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4NRW
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![BU of 4nrw by Molmil](/molmil-images/mine/4nrw) | MvNei1-G86D | Descriptor: | 5'-D(*CP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*TP*AP*C)-3', 5'-D(*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*G)-3', formamidopyrimidine-DNA glycosylase | Authors: | Prakash, A, Doublie, S. | Deposit date: | 2013-11-27 | Release date: | 2014-01-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.845 Å) | Cite: | Genome and cancer single nucleotide polymorphisms of the human NEIL1 DNA glycosylase: Activity, structure, and the effect of editing. Dna Repair, 14, 2014
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4NZ5
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![BU of 4nz5 by Molmil](/molmil-images/mine/4nz5) | Structure of Vibrio cholerae chitin de-N-acetylase in complex with 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE (NDG) and cadmium ion | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, ACETATE ION, CADMIUM ION, ... | Authors: | Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E. | Deposit date: | 2013-12-11 | Release date: | 2014-11-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.874 Å) | Cite: | Vibrio cholerae protein To be Published
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3GU2
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![BU of 3gu2 by Molmil](/molmil-images/mine/3gu2) | Y97L/G100-/E101- mutant in organophosphorus hydrolase | Descriptor: | COBALT (II) ION, Organophosphorus hydrolase | Authors: | Hawwa, R, Larsen, S, Ratia, K, Mesecar, A. | Deposit date: | 2009-03-28 | Release date: | 2009-06-30 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans. J.Mol.Biol., 393, 2009
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4NSG
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![BU of 4nsg by Molmil](/molmil-images/mine/4nsg) | Carboplatin binding to HEWL in NaBr crystallisation conditions studied at an X-ray wavelength of 1.5418A | Descriptor: | ACETATE ION, BROMIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Levy, C, Schreurs, A.M.M, Helliwell, J.R. | Deposit date: | 2013-11-28 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Carboplatin binding to histidine. Acta Crystallogr F Struct Biol Commun, 70, 2014
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6D24
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![BU of 6d24 by Molmil](/molmil-images/mine/6d24) | Trypanosoma cruzi Glucose-6-P Dehydrogenase in complex with G6P | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | Authors: | Botti, H, Ortiz, C, Comini, M.A, Larrieux, N, Buschiazzo, A. | Deposit date: | 2018-04-12 | Release date: | 2018-05-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Glucose-6-Phosphate Dehydrogenase from the Human Pathogen Trypanosoma cruzi Evolved Unique Structural Features to Support Efficient Product Formation. J.Mol.Biol., 431, 2019
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6CR2
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![BU of 6cr2 by Molmil](/molmil-images/mine/6cr2) | Crystal structure of sterol 14-alpha demethylase (CYP51B) from Aspergillus fumigatus in complex with the VNI derivative N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl)-1,3,4-oxadiazol-2-yl)benzamide | Descriptor: | 14-alpha sterol demethylase Cyp51B, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Friggeri, L, Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | Deposit date: | 2018-03-16 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Sterol 14 alpha-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis. J. Med. Chem., 61, 2018
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4O08
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3KX5
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![BU of 3kx5 by Molmil](/molmil-images/mine/3kx5) | Crystal structure of Bacillus megaterium BM3 heme domain mutant F261E | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Girvan, H.M, Levy, C.W, Leys, D, Munro, A.W. | Deposit date: | 2009-12-02 | Release date: | 2010-05-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.686 Å) | Cite: | Glutamate-haem ester bond formation is disfavoured in flavocytochrome P450 BM3: characterization of glutamate substitution mutants at the haem site of P450 BM3. Biochem.J., 427, 2010
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