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PDB: 374 件
6BRF
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BU of 6brf by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4b
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine, CALCIUM ION, ...
著者Kumar, G, Wang, Y, Li, W, White, S.W.
登録日2017-11-30
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6BS2
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BU of 6bs2 by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 8b
分子名称: 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Kumar, G, Wang, Y, Li, W, White, S.W.
登録日2017-12-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6BRY
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BU of 6bry by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 6a
分子名称: 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Kumar, G, Wang, Y, Li, W, White, S.W.
登録日2017-12-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
2TMD
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BU of 2tmd by Molmil
CORRELATION OF X-RAY DEDUCED AND EXPERIMENTAL AMINO ACID SEQUENCES OF TRIMETHYLAMINE DEHYDROGENASE
分子名称: ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
著者Mathews, F.S, Lim, L.W, White, S.
登録日1993-10-15
公開日1994-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Correlation of x-ray deduced and experimental amino acid sequences of trimethylamine dehydrogenase.
J.Biol.Chem., 267, 1992
5W73
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BU of 5w73 by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 9f (SRI-29835)
分子名称: 2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Kumar, G, White, S.
登録日2017-06-19
公開日2018-01-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5W92
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BU of 5w92 by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with an inhibitor - SRI-30049
分子名称: 1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one, 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, ...
著者Kumar, G, White, S.
登録日2017-06-22
公開日2018-02-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
1FJ4
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BU of 1fj4 by Molmil
THE STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH THIOLACTOMYCIN, IMPLICATIONS FOR DRUG DESIGN
分子名称: BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I, THIOLACTOMYCIN
著者Price, A.C, Choi, K, Heath, R.J, Li, Z, White, S.W, Rock, C.O.
登録日2000-08-07
公開日2000-08-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Inhibition of beta-ketoacyl-acyl carrier protein synthases by thiolactomycin and cerulenin. Structure and mechanism.
J.Biol.Chem., 276, 2001
5CZN
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BU of 5czn by Molmil
2009 H1N1 PA endonuclease mutant E119D
分子名称: MANGANESE (II) ION, Polymerase acidic protein, SULFATE ION
著者Kumar, G, White, S.W.
登録日2015-07-31
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
6NOK
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BU of 6nok by Molmil
The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with myristic acid (C14:0) to 1.69 Angstrom resolution
分子名称: Fatty Acid Kinase (Fak) B1 protein, MYRISTIC ACID, SODIUM ION
著者Cuypers, M.G, Gullett, J.M, Subramanian, C, White, S.W, Rock, C.O.
登録日2019-01-16
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with myristic acid (C14:0) to 1.69 Angstrom resolution
To Be Published
6CLV
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BU of 6clv by Molmil
Staphylococcus aureus Dihydropteroate Synthase (saDHPS) F17L E208K double mutant structure
分子名称: 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide, Dihydropteroate synthase
著者Gajewski, S, Griffith, E.C, Wu, Y, White, S.W.
登録日2018-03-02
公開日2018-08-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Structural and Functional Basis for Recurring Sulfa Drug Resistance Mutations inStaphylococcus aureusDihydropteroate Synthase.
Front Microbiol, 9, 2018
6O61
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BU of 6o61 by Molmil
Tubulin-RB3_SLD-TTL in complex with compound ABI-231
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Kumar, G, Wang, Y, Li, W, White, S.W.
登録日2019-03-05
公開日2019-07-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin.
J.Med.Chem., 62, 2019
1HW1
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BU of 1hw1 by Molmil
THE FADR-DNA COMPLEX: TRANSCRIPTIONAL CONTROL OF FATTY ACID METABOLISM IN ESCHERICHIA COLI
分子名称: FATTY ACID METABOLISM REGULATOR PROTEIN, SULFATE ION, ZINC ION
著者Xu, Y, Heath, R.J, Li, Z, Rock, C.O, White, S.W.
登録日2001-01-09
公開日2001-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The FadR.DNA complex. Transcriptional control of fatty acid metabolism in Escherichia coli.
J.Biol.Chem., 276, 2001
5W7U
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BU of 5w7u by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 8f (SRI-29928)
分子名称: 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy rimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein
著者Kumar, G, White, S.
登録日2017-06-20
公開日2017-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5CCY
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BU of 5ccy by Molmil
2009 H1N1 PA endonuclease in complex with dTMP
分子名称: MANGANESE (II) ION, Polymerase acidic protein, THYMIDINE-5'-PHOSPHATE
著者Kumar, G, White, S.W.
登録日2015-07-02
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
5JQ9
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BU of 5jq9 by Molmil
Yersinia pestis DHPS with pterine-sulfa conjugate Compound 16
分子名称: 1,2-ETHANEDIOL, 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide, Dihydropteroate synthase
著者Wu, Y, White, S.W.
登録日2016-05-04
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Pterin-sulfa conjugates as dihydropteroate synthase inhibitors and antibacterial agents.
Bioorg.Med.Chem.Lett., 26, 2016
5CL0
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BU of 5cl0 by Molmil
2009 H1N1 PA endonuclease in complex with rUMP
分子名称: MANGANESE (II) ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE
著者Kumar, G, White, S.W.
登録日2015-07-15
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
5D9J
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BU of 5d9j by Molmil
2009 H1N1 PA endonuclease mutant F105S in complex with L-742,001
分子名称: (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Kumar, G, White, S.W.
登録日2015-08-18
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
5D8U
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BU of 5d8u by Molmil
2009 H1N1 PA endonuclease mutant E119D in complex with L-742,001
分子名称: (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Kumar, G, White, S.W.
登録日2015-08-18
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
5D42
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BU of 5d42 by Molmil
2009 H1N1 PA endonuclease mutant F105S in complex with dTMP
分子名称: MANGANESE (II) ION, Polymerase acidic protein, THYMIDINE-5'-PHOSPHATE
著者Kumar, G, White, S.W.
登録日2015-08-07
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
5DEB
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BU of 5deb by Molmil
2009 H1N1 PA endonuclease mutant E119D in complex with rUMP
分子名称: MANGANESE (II) ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE
著者Kumar, G, White, S.W.
登録日2015-08-25
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
6CLU
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BU of 6clu by Molmil
Staphylococcus aureus Dihydropteroate Synthase (saDHPS) F17L E208K double mutant structure
分子名称: Dihydropteroate synthase
著者Gajewski, S, Griffith, E.C, Wu, Y, White, S.W.
登録日2018-03-02
公開日2018-08-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Structural and Functional Basis for Recurring Sulfa Drug Resistance Mutations inStaphylococcus aureusDihydropteroate Synthase.
Front Microbiol, 9, 2018
5DES
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BU of 5des by Molmil
2009 H1N1 PA endonuclease domain
分子名称: MANGANESE (II) ION, Polymerase acidic protein
著者Kumar, G, White, S.W.
登録日2015-08-25
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
5D2O
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BU of 5d2o by Molmil
2009 H1N1 PA endonuclease mutant F105S
分子名称: MANGANESE (II) ION, Polymerase acidic protein
著者Kumar, G, White, S.W.
登録日2015-08-05
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
4ZWQ
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BU of 4zwq by Molmil
Crystal Structure of the Bacteriophage T4 recombination mediator protein UvsY, Lattice Type I
分子名称: Recombination protein uvsY
著者Gajewski, S, White, S.W.
登録日2015-05-19
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Structure and mechanism of the phage T4 recombination mediator protein UvsY.
Proc.Natl.Acad.Sci.USA, 113, 2016
4ZWR
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BU of 4zwr by Molmil
Crystal Structure of the Bacteriophage T4 recombination mediator protein UvsY, Lattice Type II
分子名称: Recombination protein uvsY
著者Gajewski, S, White, S.W.
登録日2015-05-19
公開日2016-03-02
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (3.3857 Å)
主引用文献Structure and mechanism of the phage T4 recombination mediator protein UvsY.
Proc.Natl.Acad.Sci.USA, 113, 2016

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