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5ZNL
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BU of 5znl by Molmil
Crystal structure of PDE10A catalytic domain complexed with LHB-6
分子名称: MAGNESIUM ION, N-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine, ZINC ION, ...
著者Li, Z, Huang, Y, Zhan, C.G, Luo, H.B.
登録日2018-04-09
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Absolute Binding Free Energy Calculation and Design of a Subnanomolar Inhibitor of Phosphodiesterase-10.
J. Med. Chem., 62, 2019
4P08
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BU of 4p08 by Molmil
Engineered thermostable dimeric cocaine esterase
分子名称: Cocaine esterase
著者Rodgers, D.W, Chow, K.-M, Fang, L, Zhan, C.-G.
登録日2014-02-20
公開日2014-07-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.341 Å)
主引用文献Rational design, preparation, and characterization of a therapeutic enzyme mutant with improved stability and function for cocaine detoxification.
Acs Chem.Biol., 9, 2014
5YWG
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BU of 5ywg by Molmil
Crystal structure of Arabidopsis thaliana HPPD complexed with Mesotrione
分子名称: 2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Lin, H.Y, Yang, W.C.
登録日2017-11-29
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Molecular insights into the mechanism of 4-hydroxyphenylpyruvate dioxygenase inhibition: enzyme kinetics, X-ray crystallography and computational simulations.
FEBS J., 286, 2019
5YY6
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BU of 5yy6 by Molmil
Crystal structure of Arabidopsis thaliana HPPD truncated mutant complexed with Benquitrione
分子名称: 3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Yang, W.C, Chen, J.N, Yang, G.F.
登録日2017-12-08
公開日2019-01-16
最終更新日2019-10-09
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Crystal Structure of 4-Hydroxyphenylpyruvate Dioxygenase in Complex with Substrate Reveals a New Starting Point for Herbicide Discovery.
Research (Wash D C), 2019, 2019
5XGK
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BU of 5xgk by Molmil
Crystal structure of Arabidopsis thaliana 4-hydroxyphenylpyruvate dioxygenase (AtHPPD) complexed with its substrate 4-hydroxyphenylpyruvate acid (HPPA)
分子名称: (2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid, 4-hydroxyphenylpyruvate dioxygenase, ACETATE ION, ...
著者Yang, G.F, Yang, W.C, Lin, H.Y.
登録日2017-04-14
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of 4-Hydroxyphenylpyruvate Dioxygenase in Complex with Substrate Reveals a New Starting Point for Herbicide Discovery.
Res, 2019, 2019
6N04
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BU of 6n04 by Molmil
The X-ray crystal structure of AbsH3, an FAD dependent reductase from the Abyssomicin biosynthesis pathway in Streptomyces
分子名称: AbsH3, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE
著者Clinger, J.A, Wang, X, Cai, W, Miller, M.D, Van Lanen, S.G, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2018-11-06
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献The crystal structure of AbsH3: A putative flavin adenine dinucleotide-dependent reductase in the abyssomicin biosynthesis pathway.
Proteins, 2020
4R99
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BU of 4r99 by Molmil
Crystal structure of a uricase from Bacillus fastidious
分子名称: SULFATE ION, Uricase
著者Feng, J, Wang, L, Liu, H.B, Liu, L, Liao, F.
登録日2014-09-03
公開日2015-05-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Bacillus fastidious uricase reveals an unexpected folding of the C-terminus residues crucial for thermostability under physiological conditions.
Appl.Microbiol.Biotechnol., 99, 2015
4R8X
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BU of 4r8x by Molmil
Crystal structure of a uricase from Bacillus fastidious
分子名称: Uricase
著者Feng, J, Wang, L, Liu, H.B, Liu, L, Liao, F.
登録日2014-09-03
公開日2015-05-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Crystal structure of Bacillus fastidious uricase reveals an unexpected folding of the C-terminus residues crucial for thermostability under physiological conditions.
Appl.Microbiol.Biotechnol., 99, 2015
3I2G
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BU of 3i2g by Molmil
Cocaine Esterase with mutation G173Q, bound to DTT adduct
分子名称: (4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-DIOXOLAN-2-OL, CHLORIDE ION, Cocaine esterase, ...
著者Tesmer, J.J.G, Nance, M.R.
登録日2009-06-29
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural analysis of thermostabilizing mutations of cocaine esterase.
Protein Eng.Des.Sel., 23, 2010
3I2K
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BU of 3i2k by Molmil
Cocaine Esterase, wild type, bound to a DTT adduct
分子名称: (4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-DIOXOLAN-2-OL, CHLORIDE ION, Cocaine esterase, ...
著者Tesmer, J.J.G, Nance, M.R.
登録日2009-06-29
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural analysis of thermostabilizing mutations of cocaine esterase.
Protein Eng.Des.Sel., 23, 2010
3I2F
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BU of 3i2f by Molmil
Cocaine Esterase with mutations T172R / G173Q, bound to DTT adduct
分子名称: (4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-DIOXOLAN-2-OL, CHLORIDE ION, Cocaine esterase, ...
著者Tesmer, J.J.G, Nance, M.R.
登録日2009-06-29
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural analysis of thermostabilizing mutations of cocaine esterase.
Protein Eng.Des.Sel., 23, 2010
3IDA
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BU of 3ida by Molmil
Thermostable Cocaine Esterase with mutations L169K and G173Q, bound to DTT adduct
分子名称: (4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-DIOXOLAN-2-OL, CHLORIDE ION, Cocaine esterase, ...
著者Tesmer, J.J.G, Nance, M.R.
登録日2009-07-20
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A thermally stable form of bacterial cocaine esterase: a potential therapeutic agent for treatment of cocaine abuse.
Mol.Pharmacol., 77, 2010
3I2H
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BU of 3i2h by Molmil
Cocaine Esterase with mutation L169K, bound to DTT adduct
分子名称: (4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-DIOXOLAN-2-OL, CHLORIDE ION, Cocaine esterase, ...
著者Tesmer, J.J.G, Nance, M.R.
登録日2009-06-29
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural analysis of thermostabilizing mutations of cocaine esterase.
Protein Eng.Des.Sel., 23, 2010
3I2J
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BU of 3i2j by Molmil
Cocaine Esterase, wild type, without a ligand
分子名称: CHLORIDE ION, Cocaine esterase, GLYCEROL, ...
著者Tesmer, J.J.G, Nance, M.R.
登録日2009-06-29
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural analysis of thermostabilizing mutations of cocaine esterase.
Protein Eng.Des.Sel., 23, 2010
3I2I
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BU of 3i2i by Molmil
Cocaine Esterase with mutation T172R, bound to DTT adduct
分子名称: (4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-DIOXOLAN-2-OL, CHLORIDE ION, Cocaine esterase, ...
著者Tesmer, J.J.G, Nance, M.R.
登録日2009-06-29
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structural analysis of thermostabilizing mutations of cocaine esterase.
Protein Eng.Des.Sel., 23, 2010
7E0X
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BU of 7e0x by Molmil
Crystal structure of Arabidopsis thaliana HPPD complexed with 4-hydroxyphenylacetic acid
分子名称: 4-HYDROXYPHENYLACETATE, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Lin, H.Y, Yang, G.F.
登録日2021-01-28
公開日2021-12-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.887 Å)
主引用文献Rational Redesign of Enzyme via the Combination of Quantum Mechanics/Molecular Mechanics, Molecular Dynamics, and Structural Biology Study.
J.Am.Chem.Soc., 143, 2021
6ISD
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BU of 6isd by Molmil
Crystal structure of Arabidopsis thaliana HPPD complexed with sulcotrione
分子名称: 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Yang, W.C, Yang, G.F.
登録日2018-11-16
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular insights into the mechanism of 4-hydroxyphenylpyruvate dioxygenase inhibition: enzyme kinetics, X-ray crystallography and computational simulations.
FEBS J., 286, 2019
6J63
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BU of 6j63 by Molmil
Crystal structure of Arabidopsis thaliana HPPD complexed with NTBC
分子名称: 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE, 4-hydroxyphenylpyruvate dioxygenase, FE (III) ION
著者Yang, W.C, Yang, G.F.
登録日2019-01-13
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.624 Å)
主引用文献Molecular insights into the mechanism of 4-hydroxyphenylpyruvate dioxygenase inhibition: enzyme kinetics, X-ray crystallography and computational simulations.
FEBS J., 286, 2019

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