1FCE
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![BU of 1fce by Molmil](/molmil-images/mine/1fce) | PROCESSIVE ENDOCELLULASE CELF OF CLOSTRIDIUM CELLULOLYTICUM | Descriptor: | CALCIUM ION, CELLULASE CELF, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-methyl beta-D-glucopyranoside | Authors: | Parsiegla, G, Juy, M, Haser, R. | Deposit date: | 1998-07-06 | Release date: | 1999-07-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of the processive endocellulase CelF of Clostridium cellulolyticum in complex with a thiooligosaccharide inhibitor at 2.0 A resolution. EMBO J., 17, 1998
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4MOK
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![BU of 4mok by Molmil](/molmil-images/mine/4mok) | Pyranose 2-oxidase H167A mutant soaked with 3-fluorinated galactose (not bound) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DODECAETHYLENE GLYCOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. | Deposit date: | 2013-09-12 | Release date: | 2014-02-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion. Plos One, 9, 2014
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4Y80
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![BU of 4y80 by Molmil](/molmil-images/mine/4y80) | Yeast 20S proteasome in complex with Ac-LAI-ep | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-LAI-ep, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-02-16 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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4Y8W
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![BU of 4y8w by Molmil](/molmil-images/mine/4y8w) | Crystal Structure of Human Cytochrome P450 21A2 Progesterone Complex | Descriptor: | Cytochrome P450 21-hydroxylase, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Pallan, P.S, Lei, L, Egli, M. | Deposit date: | 2015-02-16 | Release date: | 2015-04-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Human Cytochrome P450 21A2, the Major Steroid 21-Hydroxylase: STRUCTURE OF THE ENZYMEPROGESTERONE SUBSTRATE COMPLEX AND RATE-LIMITING C-H BOND CLEAVAGE. J.Biol.Chem., 290, 2015
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4YR1
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![BU of 4yr1 by Molmil](/molmil-images/mine/4yr1) | |
5KF4
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![BU of 5kf4 by Molmil](/molmil-images/mine/5kf4) | |
1FFT
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![BU of 1fft by Molmil](/molmil-images/mine/1fft) | The structure of ubiquinol oxidase from Escherichia coli | Descriptor: | COPPER (II) ION, HEME O, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Abramson, J, Riistama, S, Larsson, G, Jasaitis, A, Svensson-Ek, M, Puustinen, A, Iwata, S, Wikstrom, M. | Deposit date: | 2000-07-26 | Release date: | 2000-10-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The structure of the ubiquinol oxidase from Escherichia coli and its ubiquinone binding site. Nat.Struct.Biol., 7, 2000
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3NO4
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5K11
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![BU of 5k11 by Molmil](/molmil-images/mine/5k11) | Cryo-EM structure of isocitrate dehydrogenase (IDH1) in inhibitor-bound state | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | Deposit date: | 2016-05-17 | Release date: | 2016-06-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery. Cell, 165, 2016
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3O9M
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![BU of 3o9m by Molmil](/molmil-images/mine/3o9m) | Co-crystallization studies of full length recombinant BChE with cocaine offers insights into cocaine detoxification | Descriptor: | BENZOIC ACID, Cholinesterase | Authors: | Asojo, O.A, Ngamelue, M.N, Homma, K, Lockridge, O. | Deposit date: | 2010-08-04 | Release date: | 2011-04-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Cocrystallization studies of full-length recombinant butyrylcholinesterase (BChE) with cocaine. Acta Crystallogr.,Sect.F, 67, 2011
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1UAQ
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![BU of 1uaq by Molmil](/molmil-images/mine/1uaq) | The crystal structure of yeast cytosine deaminase | Descriptor: | DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE, ZINC ION, cytosine deaminase | Authors: | Ko, T.-P, Lin, J.-J, Hu, C.-Y, Hsu, Y.-H, Wang, A.H.-J, Liaw, S.-H. | Deposit date: | 2003-03-14 | Release date: | 2003-04-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of yeast cytosine deaminase. Insights into enzyme mechanism and evolution J.Biol.Chem., 278, 2003
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4YA7
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![BU of 4ya7 by Molmil](/molmil-images/mine/4ya7) | |
7E7F
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![BU of 7e7f by Molmil](/molmil-images/mine/7e7f) | Human CYP11B1 mutant in complex with metyrapone | Descriptor: | CHOLIC ACID, Cytochrome P450 11B1, mitochondrial, ... | Authors: | Mukai, K, Sugimoto, H, Reiko, S, Matsuura, T, Hishiki, T, Kagawa, N. | Deposit date: | 2021-02-26 | Release date: | 2022-01-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Spatially restricted substrate-binding site of cortisol-synthesizing CYP11B1 limits multiple hydroxylations and hinders aldosterone synthesis. Curr Res Struct Biol, 3, 2021
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1UDY
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![BU of 1udy by Molmil](/molmil-images/mine/1udy) | Medium-Chain Acyl-CoA Dehydrogenase with 3-Thiaoctanoyl-CoA | Descriptor: | 3-THIAOCTANOYL-COENZYME A, Acyl-CoA dehydrogenase, medium-chain specific, ... | Authors: | Satoh, A, Nakajima, Y, Miyahara, I, Hirotsu, K, Tanaka, T, Nishina, Y, Shiga, K, Tamaoki, H, Setoyama, C, Miura, R. | Deposit date: | 2003-05-07 | Release date: | 2003-12-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the transition state analog of medium-chain acyl-CoA dehydrogenase. Crystallographic and molecular orbital studies on the charge-transfer complex of medium-chain acyl-CoA dehydrogenase with 3-thiaoctanoyl-CoA J.BIOCHEM.(TOKYO), 134, 2003
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1FK8
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![BU of 1fk8 by Molmil](/molmil-images/mine/1fk8) | THE CRYSTAL STRUCTURE OF THE BINARY COMPLEX WITH NAD OF 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE FROM COMAMONAS TESTOSTERONI, A MEMBER OF THE SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY | Descriptor: | 3ALPHA-HYDROXYSTEROID DEHYDROGENASE/CARBONYL REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Grimm, C, Ficner, R, Maser, E, Klebe, G, Reuter, K. | Deposit date: | 2000-08-09 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The crystal structure of 3alpha -hydroxysteroid dehydrogenase/carbonyl reductase from Comamonas testosteroni shows a novel oligomerization pattern within the short chain dehydrogenase/reductase family. J.Biol.Chem., 275, 2000
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4MOE
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![BU of 4moe by Molmil](/molmil-images/mine/4moe) | Pyranose 2-oxidase H450G mutant with 3-fluorinated glucose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-deoxy-3-fluoro-beta-D-glucopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | Authors: | Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. | Deposit date: | 2013-09-12 | Release date: | 2014-02-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion. Plos One, 9, 2014
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5JOY
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![BU of 5joy by Molmil](/molmil-images/mine/5joy) | Bacteroides ovatus Xyloglucan PUL GH43A in complex with AraLOG | Descriptor: | (Z)-L-Arabinonhydroximo-1,4-lactone, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Thompson, A.J, Hemsworth, G.R, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J. | Deposit date: | 2016-05-03 | Release date: | 2016-08-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut. Open Biology, 6, 2016
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3NSN
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![BU of 3nsn by Molmil](/molmil-images/mine/3nsn) | Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with TMG-chitotriomycin | Descriptor: | 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetylglucosaminidase | Authors: | Zhang, H, Liu, T, Liu, F, Yang, Q, Shen, X. | Deposit date: | 2010-07-02 | Release date: | 2010-11-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Determinants of an Insect {beta}-N-Acetyl-D-hexosaminidase Specialized as a Chitinolytic Enzyme J.Biol.Chem., 286, 2011
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1U30
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![BU of 1u30 by Molmil](/molmil-images/mine/1u30) | In situ extension as an approach for identifying novel alpha-amylase inhibitors, structure containing maltosyl-alpha (1,4)-D-gluconhydroximo-1,5-lactam | Descriptor: | (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ... | Authors: | Numao, S, Li, C, Damager, I, Wrodnigg, T.M, Begum, A, Overall, C.M, Brayer, G.D, Withers, S.G. | Deposit date: | 2004-07-20 | Release date: | 2004-09-07 | Last modified: | 2020-11-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | In Situ Extension as an Approach for Identifying Novel alpha-Amylase Inhibitors. J.Biol.Chem., 279, 2004
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5JP6
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![BU of 5jp6 by Molmil](/molmil-images/mine/5jp6) | Bdellovibrio bacteriovorus peptidoglycan deacetylase Bd3279 | Descriptor: | MAGNESIUM ION, Putative polysaccharide deacetylase, ZINC ION | Authors: | Lovering, A.L. | Deposit date: | 2016-05-03 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Interrupting peptidoglycan deacetylation during Bdellovibrio predator-prey interaction prevents ultimate destruction of prey wall, liberating bacterial-ghosts. Sci Rep, 6, 2016
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3NQH
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4YVV
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![BU of 4yvv by Molmil](/molmil-images/mine/4yvv) | Crystal structure of AKR1C3 complexed with glibenclamide | Descriptor: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhao, Y, Zheng, X, Zhang, H, Hu, X. | Deposit date: | 2015-03-20 | Release date: | 2015-11-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis Chem.Biol.Interact., 240, 2015
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1FLY
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![BU of 1fly by Molmil](/molmil-images/mine/1fly) | |
3NUH
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4YGF
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![BU of 4ygf by Molmil](/molmil-images/mine/4ygf) | Crystal structure of the complex of Helicobacter pylori alpha-Carbonic Anhydrase with acetazolamide | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Alpha-carbonic anhydrase, CHLORIDE ION, ... | Authors: | Roujeinikova, A, Modak, J.K. | Deposit date: | 2015-02-26 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for the Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase by Sulfonamides. Plos One, 10, 2015
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