6DRU
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![BU of 6dru by Molmil](/molmil-images/mine/6dru) | Xylosidase from Aspergillus niger | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Glycosyl hydrolases family 31 family protein, ... | Authors: | Cao, H, Xu, W, Betancourt, M, Walton, J.D, Brumm, P, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2018-06-13 | Release date: | 2018-08-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of alpha-Xylosidase fromAspergillus nigerin Complex with a Hydrolyzed Xyloglucan Product and New Insights in Accurately Predicting Substrate Specificities of GH31 Family Glycosidases. Acs Sustain Chem Eng, 8, 2020
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7YVA
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![BU of 7yva by Molmil](/molmil-images/mine/7yva) | Crystal structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with lipoic acid | Descriptor: | 1,2-ETHANEDIOL, Candida albicans Fructose-1,6-bisphosphate aldolase, LIPOIC ACID, ... | Authors: | Cao, H, Huang, Y, Ren, Y, Wan, J. | Deposit date: | 2022-08-19 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Crystal structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with lipoic acid To Be Published
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4NI3
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![BU of 4ni3 by Molmil](/molmil-images/mine/4ni3) | Crystal Structure of GH29 family alpha-L-fucosidase from Fusarium graminearum in the closed form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-fucosidase GH29, ... | Authors: | Cao, H, Walton, J.D, Brumm, P, Phillips Jr, G.N. | Deposit date: | 2013-11-05 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3993 Å) | Cite: | Structure and Substrate Specificity of a Eukaryotic Fucosidase from Fusarium graminearum. J.Biol.Chem., 289, 2014
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4PSP
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![BU of 4psp by Molmil](/molmil-images/mine/4psp) | Crystal Structure of GH29 family alpha-L-fucosidase from Fusarium graminearum in the open form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-fucosidase GH29, ... | Authors: | Cao, H, Walton, J, Brumm, P, Phillips Jr, G.N. | Deposit date: | 2014-03-07 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.561 Å) | Cite: | Structure and Substrate Specificity of a Eukaryotic Fucosidase from Fusarium graminearum. J.Biol.Chem., 289, 2014
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4PSR
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![BU of 4psr by Molmil](/molmil-images/mine/4psr) | Crystal Structure of alpha-L-fucosidase from Fusarium graminearum in the open form in complex with L-fucose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-fucosidase GH29, ... | Authors: | Cao, H, Walton, J, Brumm, P, Phillips Jr, G.N. | Deposit date: | 2014-03-07 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structure and Substrate Specificity of a Eukaryotic Fucosidase from Fusarium graminearum. J.Biol.Chem., 289, 2014
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3NVZ
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![BU of 3nvz by Molmil](/molmil-images/mine/3nvz) | Crystal Structure of Bovine Xanthine Oxidase in Complex with Indole-3-Aldehyde | Descriptor: | 1H-INDOLE-3-CARBALDEHYDE, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Cao, H, Hille, R. | Deposit date: | 2010-07-08 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Substrate orientation and specificity in xanthine oxidase: crystal structures of the enzyme in complex with indole-3-acetaldehyde and guanine. Biochemistry, 53, 2014
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3NVW
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![BU of 3nvw by Molmil](/molmil-images/mine/3nvw) | Crystal Structure of Bovine Xanthine Oxidase in Complex with Guanine | Descriptor: | DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Cao, H, Hille, R. | Deposit date: | 2010-07-08 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Substrate orientation and specificity in xanthine oxidase: crystal structures of the enzyme in complex with indole-3-acetaldehyde and guanine. Biochemistry, 53, 2014
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3NVV
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![BU of 3nvv by Molmil](/molmil-images/mine/3nvv) | Crystal Structure of Bovine Xanthine Oxidase in Complex with Arsenite | Descriptor: | ARSENITE, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Cao, H, Hille, R. | Deposit date: | 2010-07-08 | Release date: | 2011-01-19 | Last modified: | 2012-05-09 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | X-ray Crystal Structure of Arsenite-Inhibited Xanthine Oxidase: Mu-Sulfido,Mu-Oxo Double Bridge between Molybdenum and Arsenic in the Active Site. J.Am.Chem.Soc., 133, 2011
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3NS1
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![BU of 3ns1 by Molmil](/molmil-images/mine/3ns1) | Crystal Structure of Bovine Xanthine Oxidase in Complex with 6-Mercaptopurine | Descriptor: | 9H-purine-6-thiol, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Cao, H, Pauff, J.M, Hille, R. | Deposit date: | 2010-07-01 | Release date: | 2010-07-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Substrate orientation and catalytic specificity in the action of xanthine oxidase: the sequential hydroxylation of hypoxanthine to uric acid. J.Biol.Chem., 285, 2010
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3NVY
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![BU of 3nvy by Molmil](/molmil-images/mine/3nvy) | Crystal Structure of Bovine Xanthine Oxidase in Complex with Quercetin | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Cao, H, Hille, R. | Deposit date: | 2010-07-08 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray Crystal Structure of a Xanthine Oxidase Complex with the Flavonoid Inhibitor Quercetin. J Nat Prod, 77, 2014
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3NRZ
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![BU of 3nrz by Molmil](/molmil-images/mine/3nrz) | Crystal Structure of Bovine Xanthine Oxidase in Complex with Hypoxanthine | Descriptor: | DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Cao, H, Pauff, J.M, Hille, R. | Deposit date: | 2010-07-01 | Release date: | 2010-07-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Substrate orientation and catalytic specificity in the action of xanthine oxidase: the sequential hydroxylation of hypoxanthine to uric acid. J.Biol.Chem., 285, 2010
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6MTH
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![BU of 6mth by Molmil](/molmil-images/mine/6mth) | E. coli DHFR complex modeled with three ligand states | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, DIHYDROFOLIC ACID, ... | Authors: | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | Deposit date: | 2018-10-19 | Release date: | 2019-05-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Time-resolved x-ray crystallography capture of a slow reaction tetrahydrofolate intermediate. Struct Dyn., 6, 2019
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6MT8
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![BU of 6mt8 by Molmil](/molmil-images/mine/6mt8) | E. coli DHFR complex modeled with two ligand states | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, DIHYDROFOLIC ACID, ... | Authors: | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | Deposit date: | 2018-10-19 | Release date: | 2019-05-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Time-resolved x-ray crystallography capture of a slow reaction tetrahydrofolate intermediate. Struct Dyn., 6, 2019
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3SR6
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![BU of 3sr6 by Molmil](/molmil-images/mine/3sr6) | Crystal Structure of Reduced Bovine Xanthine Oxidase in Complex with Arsenite | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER, ... | Authors: | Cao, H, Hille, R. | Deposit date: | 2011-07-07 | Release date: | 2011-07-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-ray Crystal Structure of Arsenite-Inhibited Xanthine Oxidase: Mu-Sulfido,Mu-Oxo Double Bridge between Molybdenum and Arsenic in the Active Site. J.Am.Chem.Soc., 133, 2011
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6MR9
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![BU of 6mr9 by Molmil](/molmil-images/mine/6mr9) | E. coli DHFR complex with a reaction intermediate | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, Dihydrofolate reductase, ... | Authors: | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | Deposit date: | 2018-10-12 | Release date: | 2019-05-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Time-resolved x-ray crystallography capture of a slow reaction tetrahydrofolate intermediate. Struct Dyn., 6, 2019
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6CQA
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![BU of 6cqa by Molmil](/molmil-images/mine/6cqa) | E. coli DHFR complex with inhibitor AMPQD | Descriptor: | 7-[(3-aminophenyl)methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, SULFATE ION | Authors: | Cao, H, Rodrigues, J, Benach, J, Wasserman, S, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | Deposit date: | 2018-03-14 | Release date: | 2019-01-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release. Commun Biol, 1, 2018
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6CW7
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![BU of 6cw7 by Molmil](/molmil-images/mine/6cw7) | E. coli DHFR product complex with (6S)-5,6,7,8-TETRAHYDROFOLATE | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, Dihydrofolate reductase, ... | Authors: | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | Deposit date: | 2018-03-30 | Release date: | 2019-01-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release. Commun Biol, 1, 2018
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6CYV
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![BU of 6cyv by Molmil](/molmil-images/mine/6cyv) | E. coli DHFR ternary complex with NADP and dihydrofolate | Descriptor: | DIHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | Deposit date: | 2018-04-06 | Release date: | 2019-01-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release. Commun Biol, 1, 2018
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6CXK
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![BU of 6cxk by Molmil](/molmil-images/mine/6cxk) | E. coli DHFR substrate complex with Dihydrofolate | Descriptor: | CHLORIDE ION, DIHYDROFOLIC ACID, Dihydrofolate reductase, ... | Authors: | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | Deposit date: | 2018-04-03 | Release date: | 2019-01-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.108 Å) | Cite: | The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release. Commun Biol, 1, 2018
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6A6O
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![BU of 6a6o by Molmil](/molmil-images/mine/6a6o) | Crystal structure of acetyl ester-xyloside bifunctional hydrolase from Caldicellulosiruptor lactoaceticus | Descriptor: | Esterase/lipase-like protein | Authors: | Cao, H, Huang, Y, Sun, L.C, Liu, X, Liu, T.F, Wang, F.Z, Xin, F.J. | Deposit date: | 2018-06-28 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights into the Dual-Substrate Recognition and Catalytic Mechanisms of a Bifunctional Acetyl Ester-Xyloside Hydrolase from Caldicellulosiruptor lactoaceticus. Acs Catalysis, 9, 2019
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7XZG
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![BU of 7xzg by Molmil](/molmil-images/mine/7xzg) | High resolution crystal Structure of Glyceraldehyde-3-Phosphate Dehydrogenase from Candida albicans complexed with NAD+ | Descriptor: | 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Cao, H, Meng, J, Ren, Y, Wan, J. | Deposit date: | 2022-06-02 | Release date: | 2023-06-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.879 Å) | Cite: | High resolution crystal Structure of Glyceraldehyde-3-Phosphate Dehydrogenase from Candida albicans complexed with NAD+ To Be Published
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4OO2
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![BU of 4oo2 by Molmil](/molmil-images/mine/4oo2) | Streptomyces globisporus C-1027 FAD dependent (S)-3-chloro-β-tyrosine-S-SgcC2 C-5 hydroxylase SgcC apo form | Descriptor: | CALCIUM ION, Chlorophenol-4-monooxygenase, GLYCEROL | Authors: | Cao, H, Xu, W, Bingman, C.A, Lohman, J.R, Yennamalli, R, Shen, B, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-01-29 | Release date: | 2014-02-12 | Last modified: | 2023-03-22 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Crystal Structures of SgcE6 and SgcC, the Two-Component Monooxygenase That Catalyzes Hydroxylation of a Carrier Protein-Tethered Substrate during the Biosynthesis of the Enediyne Antitumor Antibiotic C-1027 in Streptomyces globisporus. Biochemistry, 55, 2016
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5INJ
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![BU of 5inj by Molmil](/molmil-images/mine/5inj) | Crystal Structure of Prenyltransferase PriB Ternary Complex with L-Tryptophan and Dimethylallyl thiolodiphosphate (DMSPP) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Prenyltransferase, ... | Authors: | Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2016-03-07 | Release date: | 2016-05-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure and specificity of a permissive bacterial C-prenyltransferase. Nat. Chem. Biol., 13, 2017
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5K9M
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![BU of 5k9m by Molmil](/molmil-images/mine/5k9m) | Crystal Structure of PriB Binary Complex with Product Diphosphate | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYROPHOSPHATE 2-, PriB Prenyltransferase | Authors: | Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2016-06-01 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure and specificity of a permissive bacterial C-prenyltransferase. Nat. Chem. Biol., 13, 2017
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5JXM
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![BU of 5jxm by Molmil](/molmil-images/mine/5jxm) | Crystal Structure of Prenyltransferase PriB Apo Form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PriB | Authors: | Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2016-05-13 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structure and specificity of a permissive bacterial C-prenyltransferase. Nat. Chem. Biol., 13, 2017
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