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8XGB
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BU of 8xgb by Molmil
Crystal structure of human secretory glutaminyl cyclase in complex with (S)-1-(1H-benzo[d]imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
分子名称: (5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
著者Li, G.-B, Wang, X.-Y.
登録日2023-12-15
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XGY
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BU of 8xgy by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (R,Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((1-acetylpyrrolidin-3-yl)oxy)indolin-2-one
分子名称: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-[(3~{R})-1-ethanoylpyrrolidin-3-yl]oxy-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
著者Li, G.-B, Wang, X.-Y.
登録日2023-12-16
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XGT
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BU of 8xgt by Molmil
Crystal structure of human secretory glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one
分子名称: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
著者Li, G.-B, Wang, X.-Y.
登録日2023-12-15
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.813 Å)
主引用文献X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XFV
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BU of 8xfv by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one
分子名称: 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION
著者Li, G.-B, Wang, X.-Y.
登録日2023-12-14
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XGA
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BU of 8xga by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)indolin-2-one
分子名称: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION
著者Li, G.-B, Wang, X.-Y.
登録日2023-12-15
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (3.537 Å)
主引用文献X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
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
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
6M2L
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BU of 6m2l by Molmil
Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with C3361
分子名称: (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Hexose transporter 1
著者Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N.
登録日2020-02-27
公開日2020-09-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum.
Cell, 183, 2020
6M20
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BU of 6m20 by Molmil
Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with glucose
分子名称: Hexose transporter 1, beta-D-glucopyranose, nonyl beta-D-glucopyranoside
著者Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N.
登録日2020-02-26
公開日2020-09-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum.
Cell, 183, 2020
1G73
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BU of 1g73 by Molmil
CRYSTAL STRUCTURE OF SMAC BOUND TO XIAP-BIR3 DOMAIN
分子名称: INHIBITORS OF APOPTOSIS-LIKE PROTEIN ILP, SECOND MITOCHONDRIA-DERIVED ACTIVATOR OF CASPASES, ZINC ION
著者Wu, G, Chai, J, Suber, T.L, Wu, J.-W, Shi, Y.
登録日2000-11-08
公開日2001-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of IAP recognition by Smac/DIABLO.
Nature, 408, 2000
4IKG
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BU of 4ikg by Molmil
Crystal structure of cell death-inducing DFFA-like effector c
分子名称: Cell death activator CIDE-3, IODIDE ION
著者Yang, M, Gao, J.
登録日2012-12-26
公開日2014-06-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9318 Å)
主引用文献Perilipin1 promotes unilocular lipid droplet formation through the activation of Fsp27 in adipocytes.
Nat Commun, 4, 2013
4G6H
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BU of 4g6h by Molmil
Crystal structure of NDH with NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Li, W, Feng, Y, Ge, J, Yang, M.
登録日2012-07-19
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.262 Å)
主引用文献Structural insight into the type-II mitochondrial NADH dehydrogenases.
Nature, 491, 2012
4G74
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BU of 4g74 by Molmil
Crystal structure of NDH with Quinone
分子名称: 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ...
著者Li, W, Feng, Y, Ge, J, Yang, M.
登録日2012-07-19
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural insight into the type-II mitochondrial NADH dehydrogenases.
Nature, 491, 2012
4G73
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BU of 4g73 by Molmil
Crystal structure of NDH with NADH and Quinone
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Li, W, Feng, Y, Ge, J, Yang, M.
登録日2012-07-19
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.522 Å)
主引用文献Structural insight into the type-II mitochondrial NADH dehydrogenases.
Nature, 491, 2012
5X0I
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BU of 5x0i by Molmil
Crystal structure of PKM2 R399E mutant complexed with FBP and serine
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, POTASSIUM ION, ...
著者Wang, W.C, Chen, T.J.
登録日2017-01-20
公開日2018-01-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Mutations in the PKM2 exon-10 region are associated with reduced allostery and increased nuclear translocation.
Commun Biol, 2, 2019
4G6G
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BU of 4g6g by Molmil
Crystal structure of NDH with TRT
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, MAGNESIUM ION, ...
著者Li, W, Feng, Y, Ge, J, Yang, M.
登録日2012-07-19
公開日2012-10-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structural insight into the type-II mitochondrial NADH dehydrogenases.
Nature, 491, 2012
4LNQ
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BU of 4lnq by Molmil
Crystal structure of Ifi202 HINa domain in complex with 20bp dsDNA
分子名称: 20bp DNA, Interferon-activable protein 202
著者Li, H, Wang, Z.-X, Wu, J.-W.
登録日2013-07-12
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural mechanism of DNA recognition by the p202 HINa domain: insights into the inhibition of Aim2-mediated inflammatory signalling.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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
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
1FEW
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BU of 1few by Molmil
CRYSTAL STRUCTURE OF SMAC/DIABLO
分子名称: SECOND MITOCHONDRIA-DERIVED ACTIVATOR OF CASPASES
著者Chai, J, Shi, Y.
登録日2000-07-23
公開日2000-09-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and biochemical basis of apoptotic activation by Smac/DIABLO.
Nature, 406, 2000
5U77
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BU of 5u77 by Molmil
Crystal structure of ORP8 PH domain
分子名称: FORMIC ACID, N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium, Oxysterol-binding protein-related protein 8
著者Ghai, R, Yang, H.
登録日2016-12-11
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.157 Å)
主引用文献ORP5 and ORP8 bind phosphatidylinositol-4, 5-biphosphate (PtdIns(4,5)P 2) and regulate its level at the plasma membrane.
Nat Commun, 8, 2017
2A5Y
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BU of 2a5y by Molmil
Structure of a CED-4/CED-9 complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Apoptosis regulator ced-9, MAGNESIUM ION, ...
著者Yan, N, Liu, Q, Hao, Q, Gu, L, Shi, Y.
登録日2005-07-01
公開日2005-10-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the CED-4-CED-9 complex provides insights into programmed cell death in Caenorhabditis elegans.
Nature, 437, 2005
5U78
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BU of 5u78 by Molmil
Crystal structure of ORP8 PH domain in P1211 space group
分子名称: Oxysterol-binding protein-related protein 8
著者Ghai, R, Yang, H.
登録日2016-12-12
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.978 Å)
主引用文献ORP5 and ORP8 bind phosphatidylinositol-4, 5-biphosphate (PtdIns(4,5)P 2) and regulate its level at the plasma membrane.
Nat Commun, 8, 2017
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

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