6MTH
 
 | | E. coli DHFR complex modeled with three ligand states | | 分子名称: | (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, DIHYDROFOLIC ACID, ... | | 著者 | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | | 登録日 | 2018-10-19 | | 公開日 | 2019-05-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Time-resolved x-ray crystallography capture of a slow reaction tetrahydrofolate intermediate.
Struct Dyn., 6, 2019
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6CW7
 | | E. coli DHFR product complex with (6S)-5,6,7,8-TETRAHYDROFOLATE | | 分子名称: | (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, Dihydrofolate reductase, ... | | 著者 | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | | 登録日 | 2018-03-30 | | 公開日 | 2019-01-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | 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
 | | E. coli DHFR ternary complex with NADP and dihydrofolate | | 分子名称: | DIHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | | 登録日 | 2018-04-06 | | 公開日 | 2019-01-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | 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
 | | E. coli DHFR substrate complex with Dihydrofolate | | 分子名称: | CHLORIDE ION, DIHYDROFOLIC ACID, Dihydrofolate reductase, ... | | 著者 | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | | 登録日 | 2018-04-03 | | 公開日 | 2019-01-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.108 Å) | | 主引用文献 | The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
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6DRU
 | | Xylosidase from Aspergillus niger | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Glycosyl hydrolases family 31 family protein, ... | | 著者 | Cao, H, Xu, W, Betancourt, M, Walton, J.D, Brumm, P, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | 登録日 | 2018-06-13 | | 公開日 | 2018-08-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | 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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4NI3
 | | Crystal Structure of GH29 family alpha-L-fucosidase from Fusarium graminearum in the closed form | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-fucosidase GH29, ... | | 著者 | Cao, H, Walton, J.D, Brumm, P, Phillips Jr, G.N. | | 登録日 | 2013-11-05 | | 公開日 | 2013-12-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.3993 Å) | | 主引用文献 | Structure and Substrate Specificity of a Eukaryotic Fucosidase from Fusarium graminearum.
J.Biol.Chem., 289, 2014
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4PSP
 | | Crystal Structure of GH29 family alpha-L-fucosidase from Fusarium graminearum in the open form | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-fucosidase GH29, ... | | 著者 | Cao, H, Walton, J, Brumm, P, Phillips Jr, G.N. | | 登録日 | 2014-03-07 | | 公開日 | 2014-03-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.561 Å) | | 主引用文献 | Structure and Substrate Specificity of a Eukaryotic Fucosidase from Fusarium graminearum.
J.Biol.Chem., 289, 2014
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4PSR
 | | Crystal Structure of alpha-L-fucosidase from Fusarium graminearum in the open form in complex with L-fucose | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-fucosidase GH29, ... | | 著者 | Cao, H, Walton, J, Brumm, P, Phillips Jr, G.N. | | 登録日 | 2014-03-07 | | 公開日 | 2014-03-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | 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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3NVY
 | | Crystal Structure of Bovine Xanthine Oxidase in Complex with Quercetin | | 分子名称: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Cao, H, Hille, R. | | 登録日 | 2010-07-08 | | 公開日 | 2011-01-19 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | X-ray Crystal Structure of a Xanthine Oxidase Complex with the Flavonoid Inhibitor Quercetin.
J Nat Prod, 77, 2014
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3NRZ
 | | Crystal Structure of Bovine Xanthine Oxidase in Complex with Hypoxanthine | | 分子名称: | DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Cao, H, Pauff, J.M, Hille, R. | | 登録日 | 2010-07-01 | | 公開日 | 2010-07-14 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 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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3NVW
 | | Crystal Structure of Bovine Xanthine Oxidase in Complex with Guanine | | 分子名称: | DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Cao, H, Hille, R. | | 登録日 | 2010-07-08 | | 公開日 | 2011-01-19 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | 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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3NS1
 | | Crystal Structure of Bovine Xanthine Oxidase in Complex with 6-Mercaptopurine | | 分子名称: | 9H-purine-6-thiol, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Cao, H, Pauff, J.M, Hille, R. | | 登録日 | 2010-07-01 | | 公開日 | 2010-07-14 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | 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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3SR6
 | | Crystal Structure of Reduced Bovine Xanthine Oxidase in Complex with Arsenite | | 分子名称: | 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, ... | | 著者 | Cao, H, Hille, R. | | 登録日 | 2011-07-07 | | 公開日 | 2011-07-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | 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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6CQA
 | | E. coli DHFR complex with inhibitor AMPQD | | 分子名称: | 7-[(3-aminophenyl)methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, SULFATE ION | | 著者 | Cao, H, Rodrigues, J, Benach, J, Wasserman, S, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | | 登録日 | 2018-03-14 | | 公開日 | 2019-01-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | 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
 | | Crystal structure of acetyl ester-xyloside bifunctional hydrolase from Caldicellulosiruptor lactoaceticus | | 分子名称: | Esterase/lipase-like protein | | 著者 | Cao, H, Huang, Y, Sun, L.C, Liu, X, Liu, T.F, Wang, F.Z, Xin, F.J. | | 登録日 | 2018-06-28 | | 公開日 | 2019-06-12 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 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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6MR9
 | | E. coli DHFR complex with a reaction intermediate | | 分子名称: | (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, Dihydrofolate reductase, ... | | 著者 | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | | 登録日 | 2018-10-12 | | 公開日 | 2019-05-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Time-resolved x-ray crystallography capture of a slow reaction tetrahydrofolate intermediate.
Struct Dyn., 6, 2019
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6MT8
 | | E. coli DHFR complex modeled with two ligand states | | 分子名称: | (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, DIHYDROFOLIC ACID, ... | | 著者 | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | | 登録日 | 2018-10-19 | | 公開日 | 2019-05-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Time-resolved x-ray crystallography capture of a slow reaction tetrahydrofolate intermediate.
Struct Dyn., 6, 2019
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7XZG
 | | High resolution crystal Structure of Glyceraldehyde-3-Phosphate Dehydrogenase from Candida albicans complexed with NAD+ | | 分子名称: | 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Cao, H, Meng, J, Ren, Y, Wan, J. | | 登録日 | 2022-06-02 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.879 Å) | | 主引用文献 | High resolution crystal Structure of Glyceraldehyde-3-Phosphate Dehydrogenase from Candida albicans complexed with NAD+
To Be Published
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7YVA
 | | Crystal structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with lipoic acid | | 分子名称: | 1,2-ETHANEDIOL, Candida albicans Fructose-1,6-bisphosphate aldolase, LIPOIC ACID, ... | | 著者 | Cao, H, Huang, Y, Ren, Y, Wan, J. | | 登録日 | 2022-08-19 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | | 主引用文献 | Crystal structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with lipoic acid
To Be Published
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4PYT
 | | Crystal structure of a MurB family EP-UDP-N-acetylglucosamine reductase | | 分子名称: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | 著者 | Cao, H, Franz, L, Sen, S, Bingman, C.A, Auldridge, M, Steinmetz, E, Mead, D, Phillips Jr, G.N. | | 登録日 | 2014-03-27 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-03-22 | | 実験手法 | X-RAY DIFFRACTION (1.853 Å) | | 主引用文献 | LucY: A Versatile New Fluorescent Reporter Protein.
Plos One, 10, 2015
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5K9M
 | | Crystal Structure of PriB Binary Complex with Product Diphosphate | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYROPHOSPHATE 2-, PriB Prenyltransferase | | 著者 | 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) | | 登録日 | 2016-06-01 | | 公開日 | 2016-06-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure and specificity of a permissive bacterial C-prenyltransferase.
Nat. Chem. Biol., 13, 2017
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5JXM
 | | Crystal Structure of Prenyltransferase PriB Apo Form | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PriB | | 著者 | 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) | | 登録日 | 2016-05-13 | | 公開日 | 2016-06-08 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Structure and specificity of a permissive bacterial C-prenyltransferase.
Nat. Chem. Biol., 13, 2017
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7V6G
 | | Structure of Candida albicans Fructose-1,6-bisphosphate aldolase mutation C157S with CN39 | | 分子名称: | 1,2-ETHANEDIOL, Fructose-bisphosphate aldolase, ZINC ION, ... | | 著者 | Cao, H, Huang, Y, Chen, H, Wan, C, Ren, Y, Wan, J. | | 登録日 | 2021-08-20 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.343 Å) | | 主引用文献 | Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis.
J.Med.Chem., 65, 2022
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