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5WLL
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BU of 5wll by Molmil
De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4DH1
分子名称: GLYCEROL, Helical Bundle 4DH1, ZINC ION
著者Zhang, S.-Q, Liu, L, DeGrado, W.F.
登録日2017-07-27
公開日2018-01-03
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
J. Am. Chem. Soc., 140, 2018
5W8K
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BU of 5w8k by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 and NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ...
著者Lukacs, C.M, Dranow, D.M.
登録日2017-06-21
公開日2018-01-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5WLJ
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BU of 5wlj by Molmil
De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH1
分子名称: De Novo Metal Binding Helical Bundle, ZINC ION
著者Zhang, S.-Q, Liu, L, DeGrado, W.F.
登録日2017-07-27
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
J. Am. Chem. Soc., 140, 2018
5WLM
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BU of 5wlm by Molmil
De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4DH2
分子名称: Helical Bundle 4DH2, ZINC ION
著者Zhang, S.-Q, Liu, L, DeGrado, W.F.
登録日2017-07-27
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
J. Am. Chem. Soc., 140, 2018
5TON
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BU of 5ton by Molmil
Crystal structure of AAT H143L mutant
分子名称: Aspartate aminotransferase, cytoplasmic
著者Mueser, T.C, Dajnowicz, S, Kovalevsky, A.
登録日2016-10-18
公開日2017-03-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Direct evidence that an extended hydrogen-bonding network influences activation of pyridoxal 5'-phosphate in aspartate aminotransferase.
J. Biol. Chem., 292, 2017
5W8I
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BU of 5w8i by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 23 and Zinc
分子名称: 2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, CITRIC ACID, DIMETHYL SULFOXIDE, ...
著者Lukacs, C.M, Abendroth, J.
登録日2017-06-21
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5WLK
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BU of 5wlk by Molmil
De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH2
分子名称: Helical Bundle 4EH2, ZINC ION
著者Zhang, S.-Q, Liu, L, DeGrado, W.F.
登録日2017-07-27
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
J. Am. Chem. Soc., 140, 2018
5W8L
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BU of 5w8l by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 59 and NADH
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, ...
著者Davies, D.R, Dranow, D.M.
登録日2017-06-21
公開日2018-01-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8H
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BU of 5w8h by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 11
分子名称: 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Lukacs, C.M, Dranow, D.M.
登録日2017-06-21
公開日2018-01-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
7CKM
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BU of 7ckm by Molmil
Structure of Machupo virus polymerase bound to Z matrix protein (monomeric complex)
分子名称: MANGANESE (II) ION, RING finger protein Z, RNA-directed RNA polymerase L, ...
著者Xu, X, Peng, R, Peng, Q, Shi, Y.
登録日2020-07-17
公開日2021-05-05
最終更新日2021-11-17
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals
Nat Microbiol, 6, 2021
7CKL
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BU of 7ckl by Molmil
Structure of Lassa virus polymerase bound to Z matrix protein
分子名称: MANGANESE (II) ION, RING finger protein Z, RNA-directed RNA polymerase L, ...
著者Xu, X, Peng, R, Peng, Q, Shi, Y.
登録日2020-07-17
公開日2021-05-05
最終更新日2021-11-17
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals
Nat Microbiol, 6, 2021
7ELC
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BU of 7elc by Molmil
Structure of monomeric complex of MACV L bound to Z and 3'-vRNA
分子名称: 3'-vRNA promoter, MANGANESE (II) ION, RING finger protein Z, ...
著者Xu, X, Peng, R, Peng, Q, Shi, Y.
登録日2021-04-09
公開日2021-05-05
最終更新日2021-07-14
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals.
Nat Microbiol, 6, 2021
7ELA
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BU of 7ela by Molmil
Structure of Lassa virus polymerase in complex with 3'-vRNA and Z mutant (F36A)
分子名称: 3-'vRNA promoter, MANGANESE (II) ION, RING finger protein Z, ...
著者Xu, X, Peng, R, Peng, Q, Shi, Y.
登録日2021-04-09
公開日2021-05-05
最終更新日2021-07-14
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals.
Nat Microbiol, 6, 2021
7EL9
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BU of 7el9 by Molmil
Structure of Machupo virus L polymerase in complex with Z protein and 3'-vRNA (dimeric complex)
分子名称: MANGANESE (II) ION, Machupo virus 3'-vRNA promoter, RING finger protein Z, ...
著者Peng, R, Xu, X, Peng, Q, Shi, Y.
登録日2021-04-09
公開日2021-05-05
最終更新日2021-07-14
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals.
Nat Microbiol, 6, 2021
7ELB
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BU of 7elb by Molmil
Structure of Machupo virus L polymerase in complex with Z protein (dimeric form)
分子名称: MANGANESE (II) ION, RING finger protein Z, RNA-directed RNA polymerase L, ...
著者Peng, R, Xu, X, Peng, Q, Shi, Y.
登録日2021-04-09
公開日2021-05-05
最終更新日2021-07-14
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals.
Nat Microbiol, 6, 2021
5XK8
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BU of 5xk8 by Molmil
Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with GPP
分子名称: GERANYL DIPHOSPHATE, MAGNESIUM ION, Undecaprenyl diphosphate synthase
著者Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
登録日2017-05-05
公開日2018-01-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5XWZ
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BU of 5xwz by Molmil
Crystal structure of a lactonase from Cladophialophora bantiana
分子名称: GLYCEROL, MALONATE ION, SODIUM ION, ...
著者Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2017-06-30
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Characterization and crystal structure of a novel zearalenone hydrolase from Cladophialophora bantiana
Acta Crystallogr F Struct Biol Commun, 73, 2017
5XK9
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BU of 5xk9 by Molmil
Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with GSPP and DMAPP
分子名称: DIMETHYLALLYL DIPHOSPHATE, GERANYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, ...
著者Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
登録日2017-05-05
公開日2018-01-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.137 Å)
主引用文献"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5XK7
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BU of 5xk7 by Molmil
Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with DMAPP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYLALLYL DIPHOSPHATE, MAGNESIUM ION, ...
著者Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
登録日2017-05-05
公開日2018-01-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.911 Å)
主引用文献"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5YGK
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BU of 5ygk by Molmil
Crystal structure of a synthase from Streptomyces sp. CL190 with dmaspp
分子名称: Cyclolavandulyl diphosphate synthase, DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION
著者Gao, J, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2017-09-23
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献Catalytic Role of Conserved Asparagine, Glutamine, Serine, and Tyrosine Residues in Isoprenoid Biosynthesis Enzymes.
Acs Catalysis, 8, 2018
5YNW
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BU of 5ynw by Molmil
Crystal structure of an aromatic prenyltransferase FAMD1 from Fischerella ambigua UTEX 1903 in complex with DMASPP and INN
分子名称: 3-[(Z)-2-isocyanoethenyl]-1H-indole, DIMETHYLALLYL S-THIOLODIPHOSPHATE, GLYCEROL, ...
著者Wang, J, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2017-10-25
公開日2018-08-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural insight into a novel indole prenyltransferase in hapalindole-type alkaloid biosynthesis.
Biochem. Biophys. Res. Commun., 495, 2018
5YGJ
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BU of 5ygj by Molmil
Crystal structure of a synthase from Streptomyces sp. CL190
分子名称: Cyclolavandulyl diphosphate synthase
著者Gao, J, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2017-09-23
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.648 Å)
主引用文献Catalytic Role of Conserved Asparagine, Glutamine, Serine, and Tyrosine Residues in Isoprenoid Biosynthesis Enzymes.
Acs Catalysis, 8, 2018
7EO7
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BU of 7eo7 by Molmil
Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin
分子名称: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
著者Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
登録日2021-04-21
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.24916625 Å)
主引用文献Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
5YNT
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BU of 5ynt by Molmil
Crystal structure of an aromatic prenyltransferase FAMD1 from Fischerella ambigua UTEX 1903
分子名称: DIMETHYLALLYL DIPHOSPHATE, GLYCEROL, IMIDAZOLE, ...
著者Wang, J, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2017-10-25
公開日2018-08-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural insight into a novel indole prenyltransferase in hapalindole-type alkaloid biosynthesis.
Biochem. Biophys. Res. Commun., 495, 2018
5YNU
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BU of 5ynu by Molmil
Crystal structure of an aromatic prenyltransferase FAMD1 from Fischerella ambigua UTEX 1903 in complex with INN
分子名称: 3-[(Z)-2-isocyanoethenyl]-1H-indole, DIMETHYLALLYL DIPHOSPHATE, GLYCEROL, ...
著者Wang, J, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2017-10-25
公開日2018-08-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insight into a novel indole prenyltransferase in hapalindole-type alkaloid biosynthesis.
Biochem. Biophys. Res. Commun., 495, 2018

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