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PDB: 160 件

5DL0
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BU of 5dl0 by Molmil
Crystal structure of glucosidase II alpha subunit (Glc1Man2-bound from)
分子名称: Alpha glucosidase-like protein, alpha-D-glucopyranose-(1-3)-alpha-D-mannopyranose
著者Satoh, T, Toshimori, T, Yan, G, Yamaguchi, T, Kato, K.
登録日2015-09-04
公開日2016-01-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for two-step glucose trimming by glucosidase II involved in ER glycoprotein quality control.
Sci Rep, 6, 2016
5DKY
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BU of 5dky by Molmil
Crystal structure of glucosidase II alpha subunit (DNJ-bound from)
分子名称: 1-DEOXYNOJIRIMYCIN, Alpha glucosidase-like protein
著者Satoh, T, Toshimori, T, Yan, G, Yamaguchi, T, Kato, K.
登録日2015-09-04
公開日2016-01-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for two-step glucose trimming by glucosidase II involved in ER glycoprotein quality control.
Sci Rep, 6, 2016
5EH9
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BU of 5eh9 by Molmil
Indirect contributions of mutations underlie optimization of new enzyme function
分子名称: 2-HYDROXYETHYL DISULFIDE, GLYCEROL, N-acyl homoserine lactonase AiiA, ...
著者Hong, N.-S, Jackson, C.J, Tokuriki, N, Yang, G, Baier, F.
登録日2015-10-28
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Conformational Tinkering Drives Evolution of a Promiscuous Activity through Indirect Mutational Effects.
Biochemistry, 55, 2016
4U3F
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BU of 4u3f by Molmil
Cytochrome bc1 complex from chicken with designed inhibitor bound
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CARDIOLIPIN, ...
著者Huang, L.-S, Zhu, X.-L, Yang, G.F, Berry, E.A.
登録日2014-07-21
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2312 Å)
主引用文献Rational Design of Highly Potent and Slow-Binding Cytochrome bc1 Inhibitor as Fungicide by Computational Substitution Optimization
Sci Rep, 5, 2015
2ADU
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BU of 2adu by Molmil
Human Methionine Aminopeptidase Complex with 4-Aryl-1,2,3-triazole Inhibitor
分子名称: 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE, COBALT (II) ION, Methionine aminopeptidase 2
著者Kallander, L.S, Lu, Q, Chen, W, Tomaszek, T, Yang, G, Tew, D, Meek, T.D, Hofmann, G.A, Schulz-Pritchard, C.K, Smith, W.W, Janson, C.A, Ryan, M.D, Zhang, G.F, Johanson, K.O, Kirkpatrick, R.B, Ho, T.F, Fisher, P.W, Mattern, M.R, Johnson, R.K, Hansbury, M.J, Winkler, J.D, Ward, K.W, Veber, D.F, Thompson, S.K.
登録日2005-07-20
公開日2005-09-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献4-Aryl-1,2,3-triazole: A Novel Template for a Reversible Methionine Aminopeptidase 2 Inhibitor, Optimized To Inhibit Angiogenesis in Vivo
J.Med.Chem., 48, 2005
2OAZ
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BU of 2oaz by Molmil
Human Methionine Aminopeptidase-2 Complexed with SB-587094
分子名称: COBALT (II) ION, N-(2-ISOPROPYLPHENYL)-3-[(2-THIENYLMETHYL)THIO]-1H-1,2,4-TRIAZOL-5-AMINE, human Methionine Amino Peptidase 2
著者Marino Jr, J.P, Fisher, P.W, Hofmann, G.A, Kirkpatrick, R, Janson, C.A, Johnson, R.K, Ma, C, Mattern, M, Meek, T.D, Ryan, D, Schulz, C, Smith, W.W, Tew, D.G, Tomazek Jr, T.A, Veber, D.F, Xiong, W.C, Yamamoto, Y, Yamashita, K, Yang, G, Thompson, S.K.
登録日2006-12-18
公開日2007-06-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Highly potent inhibitors of methionine aminopeptidase-2 based on a 1,2,4-triazole pharmacophore.
J.Med.Chem., 50, 2007
3TGU
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BU of 3tgu by Molmil
Cytochrome bc1 complex from chicken with pfvs-designed moa inhibitor bound
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, Coenzyme Q10, ...
著者Huang, L.-S, Yang, G.-F, Berry, E.A.
登録日2011-08-17
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Computational discovery of picomolar Q(o) site inhibitors of cytochrome bc1 complex.
J.Am.Chem.Soc., 134, 2012
1JXZ
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BU of 1jxz by Molmil
Structure of the H90Q mutant of 4-Chlorobenzoyl-Coenzyme A Dehalogenase complexed with 4-hydroxybenzoyl-Coenzyme A (product)
分子名称: 4-HYDROXYBENZOYL COENZYME A, 4-chlorobenzoyl Coenzyme A dehalogenase, CALCIUM ION, ...
著者Thoden, J.B, Zhang, W, Wei, Y, Luo, L, Taylor, K.L, Yang, G, Dunaway-Mariano, D, Benning, M.M, Holden, H.M.
登録日2001-09-10
公開日2001-10-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Histidine 90 Function in 4-chlorobenzoyl-coenzyme A Dehalogenase Catalysis
Biochemistry, 40, 2001
3G5P
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BU of 3g5p by Molmil
Structure and activity of human mitochondrial peptide deformylase, a novel cancer target
分子名称: COBALT (II) ION, PHOSPHATE ION, Peptide deformylase, ...
著者Escobar-Alvarez, S, Goldgur, Y, Yang, G, Ouerfelli, O, Li, Y, Scheinberg, D.A.
登録日2009-02-05
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and activity of human mitochondrial peptide deformylase, a novel cancer target
J.Mol.Biol., 387, 2009
3G5K
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BU of 3g5k by Molmil
Structure and activity of human mitochondrial peptide deformylase, a novel cancer target
分子名称: ACTINONIN, COBALT (II) ION, Peptide deformylase, ...
著者Escobar-Alvarez, S, Goldgur, Y, Yang, G, Ouerfelli, O, Li, Y, Scheinberg, D.A.
登録日2009-02-05
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and activity of human mitochondrial peptide deformylase, a novel cancer target
J.Mol.Biol., 387, 2009
7V6X
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BU of 7v6x by Molmil
Crystal structure of HPPD complexed with Y18556
分子名称: 4-hydroxyphenylpyruvate dioxygenase, 5-methyl-3-[(2-methylphenyl)methyl]-6-[(1~{R},2~{S})-2-oxidanyl-6-oxidanylidene-cyclohexyl]carbonyl-1,2,3-benzotriazin-4-one, COBALT (II) ION
著者Lin, H.Y, Yang, G.F.
登録日2021-08-20
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Pharmacophore-Oriented Discovery of Novel 1,2,3-Benzotriazine-4-one Derivatives as Potent 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors.
J.Agric.Food Chem., 70, 2022
4WVX
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BU of 4wvx by Molmil
Crystal structure of a phosphotriesterase-like lactonase Gkap in native form
分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, Phosphotriesterase
著者An, J, Zhang, Y, Yang, G.Y, Feng, Y.
登録日2014-11-07
公開日2015-11-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Engineering a thermostable lactonase for enhanced phosphotriesterase activity against organophosphate pesticides
To Be Published
5EC3
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BU of 5ec3 by Molmil
Structural insight into the catalyitc mechanism of human 4-Hydroxyphenylpyruvate dioxygenase
分子名称: 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Yang, W.C, Yang, G.F.
登録日2015-10-20
公開日2015-11-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insight into the catalyitc mechanism of human 4-Hydroxyphenylpyruvate dioxygenase
To be published
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
3UIV
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BU of 3uiv by Molmil
Human serum albumin-myristate-amantadine hydrochloride complex
分子名称: (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, MYRISTIC ACID, Serum albumin
著者Yang, F, Ma, Z, Ma, L, Yang, G.
登録日2011-11-06
公開日2012-11-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of the drug-binding specificity of human serum albumin
TO BE PUBLISHED
5FN4
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BU of 5fn4 by Molmil
Cryo-EM structure of gamma secretase in class 2 of the apo- state ensemble
分子名称: Gamma-secretase subunit APH-1A, Gamma-secretase subunit PEN-2, Nicastrin, ...
著者Bai, X.C, Rajendra, E, Yang, G.H, Shi, Y.G, Scheres, S.H.W.
登録日2015-11-10
公開日2015-12-16
最終更新日2019-09-11
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Sampling the conformational space of the catalytic subunit of human gamma-secretase.
Elife, 4, 2015
5FN5
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BU of 5fn5 by Molmil
Cryo-EM structure of gamma secretase in class 3 of the apo- state ensemble
分子名称: Gamma-secretase subunit APH-1A, Gamma-secretase subunit PEN-2, Nicastrin, ...
著者Bai, X.C, Rajendra, E, Yang, G.H, Shi, Y.G, Scheres, S.H.W.
登録日2015-11-10
公開日2015-12-16
最終更新日2019-09-11
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Sampling the conformational space of the catalytic subunit of human gamma-secretase.
Elife, 4, 2015
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
5FN3
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BU of 5fn3 by Molmil
Cryo-EM structure of gamma secretase in class 1 of the apo- state ensemble
分子名称: Gamma-secretase subunit APH-1A, Gamma-secretase subunit PEN-2, Nicastrin, ...
著者Bai, X.C, Rajendra, E, Yang, G.H, Shi, Y.G, Scheres, S.H.W.
登録日2015-11-10
公開日2015-12-16
最終更新日2019-09-11
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Sampling the conformational space of the catalytic subunit of human gamma-secretase.
Elife, 4, 2015
5FN2
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BU of 5fn2 by Molmil
Cryo-EM structure of gamma secretase in complex with a drug DAPT
分子名称: Gamma-secretase subunit APH-1A, Gamma-secretase subunit PEN-2, Nicastrin, ...
著者Bai, X.C, Rajendra, E, Yang, G.H, Shi, Y.G, Scheres, S.H.W.
登録日2015-11-10
公開日2015-12-16
最終更新日2019-09-04
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Sampling the conformational space of the catalytic subunit of human gamma-secretase.
Elife, 4, 2015
8IM2
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BU of 8im2 by Molmil
Crystal structure of human HPPD complexed with NTBC
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE, 4-hydroxyphenylpyruvate dioxygenase, ...
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2023-03-05
公開日2023-10-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structure-based discovery of pyrazole-benzothiadiazole hybrid as human HPPD inhibitors.
Structure, 31, 2023
6LGT
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BU of 6lgt by Molmil
Complex structure of HPPD with an inhibitor Y16542
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, ...
著者Lin, H.Y, Yang, W.C, Yang, G.F.
登録日2019-12-05
公開日2020-10-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.794 Å)
主引用文献Discovery of Novel Pyrazole-Quinazoline-2,4-dione Hybrids as 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors.
J.Agric.Food Chem., 68, 2020
6M6D
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BU of 6m6d by Molmil
Structure of HPPD complexed with a synthesized inhibitor
分子名称: 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-trimethylsilylprop-2-ynyl)quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Lin, H.-Y, Yang, W.-C, Yang, G.-F.
登録日2020-03-14
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.842 Å)
主引用文献Structure-Guided Discovery of Silicon-Containing Subnanomolar Inhibitor of Hydroxyphenylpyruvate Dioxygenase as a Potential Herbicide.
J.Agric.Food Chem., 69, 2021
8HID
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BU of 8hid by Molmil
HUMAN ERYTHROCYTE CATALSE COMPLEXED WITH BT-Br
分子名称: (~{S})-azanyl-[2-[[3-bromanyl-4-(diethylamino)phenyl]methyl]hydrazinyl]methanethiol, Catalase, PROTOPORPHYRIN IX CONTAINING FE
著者Lin, H.-Y, Yang, G.-F.
登録日2022-11-19
公開日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A catalase inhibitor: Targeting the NADPH-binding site for castration-resistant prostate cancer therapy.
Redox Biol, 63, 2023

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件を2024-09-11に公開中

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