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PDB: 385 件
1N2S
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CRYSTAL STRUCTURE OF DTDP-6-DEOXY-L-LYXO-4-HEXULOSE REDUCTASE (RMLD) IN COMPLEX WITH NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
著者Blankenfeldt, W, Kerr, I.D, Giraud, M.F, Mcmiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H.
登録日2002-10-24
公開日2002-11-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Variation on a Theme of SDR. dTDP-6-Deoxy-L- lyxo-4-Hexulose Reductase (RmlD) Shows a New Mg(2+)-Dependent Dimerization Mode
Structure, 10, 2002
1U1X
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Structure and function of phenazine-biosynthesis protein PhzF from Pseudomonas fluorescens 2-79
分子名称: (2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYANTHRANILIC ACID, Phenazine biosynthesis protein phzF
著者Blankenfeldt, W, Kuzin, A.P, Skarina, T, Korniyenko, Y, Tong, L, Bayer, P, Janning, P, Thomashow, L.S, Mavrodi, D.V.
登録日2004-07-16
公開日2004-11-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure and function of the phenazine biosynthetic protein PhzF from Pseudomonas fluorescens.
Proc.Natl.Acad.Sci.USA, 101, 2004
1U1V
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Structure and function of phenazine-biosynthesis protein PhzF from Pseudomonas fluorescens 2-79
分子名称: GLYCEROL, Phenazine biosynthesis protein phzF, SULFATE ION
著者Blankenfeldt, W, Kuzin, A.P, Skarina, T, Korniyenko, Y, Tong, L, Bayer, P, Janning, P, Thomashow, L.S, Mavrodi, D.V.
登録日2004-07-16
公開日2004-11-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and function of the phenazine biosynthetic protein PhzF from Pseudomonas fluorescens.
Proc.Natl.Acad.Sci.USA, 101, 2004
7LS3
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Co-complex CYP46A1 with 8114 (3f)
分子名称: (5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methanone, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE
著者Lane, W, Yano, J.
登録日2021-02-17
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H).
J.Med.Chem., 64, 2021
7LRL
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Co-complex CYP46A1 with 7742 (Soticlestat/TAK-935))
分子名称: Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, [4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone
著者Lane, W, Yano, J.
登録日2021-02-16
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H).
J.Med.Chem., 64, 2021
7LS4
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Co-complex CYP46A1 with 9129 (1b)
分子名称: Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, [5,5-dimethyl-3-(2-methylphenyl)-4~{H}-pyrazol-1-yl]-pyridin-4-yl-methanone
著者Lane, W, Yano, J.
登録日2021-02-17
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H).
J.Med.Chem., 64, 2021
1U1W
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Structure and function of phenazine-biosynthesis protein PhzF from Pseudomonas fluorescens 2-79
分子名称: 3-HYDROXYANTHRANILIC ACID, ACETATE ION, GLYCEROL, ...
著者Blankenfeldt, W, Kuzin, A.P, Skarina, T, Korniyenko, Y, Tong, L, Bayer, P, Janning, P, Thomashow, L.S, Mavrodi, D.V.
登録日2004-07-16
公開日2004-11-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure and function of the phenazine biosynthetic protein PhzF from Pseudomonas fluorescens.
Proc.Natl.Acad.Sci.USA, 101, 2004
6M9L
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Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10
分子名称: 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14
著者Lane, W, Okada, K.
登録日2018-08-23
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
6M95
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Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1
分子名称: (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14
著者Lane, W, Okada, K.
登録日2018-08-22
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
1BW0
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BU of 1bw0 by Molmil
CRYSTAL STRUCTURE OF TYROSINE AMINOTRANSFERASE FROM TRYPANOSOMA CRUZI
分子名称: PROTEIN (TYROSINE AMINOTRANSFERASE)
著者Blankenfeldt, W, Montemartini, M, Hunter, G.R, Kalisz, H.M, Nowicki, C, Hecht, H.J.
登録日1998-09-28
公開日1999-09-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Trypanosoma cruzi tyrosine aminotransferase: substrate specificity is influenced by cofactor binding mode.
Protein Sci., 8, 1999
7K41
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Bacterial O-GlcNAcase (OGA) with compound
分子名称: 1,2-ETHANEDIOL, 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine, ACETATE ION, ...
著者Lane, W, Tjhen, R, Snell, G, Sang, B.
登録日2020-09-14
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a Novel and Brain-Penetrant O -GlcNAcase Inhibitor via Virtual Screening, Structure-Based Analysis, and Rational Lead Optimization.
J.Med.Chem., 64, 2021
1G1L
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BU of 1g1l by Molmil
THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). TDP-GLUCOSE COMPLEX.
分子名称: 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, CITRIC ACID, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
著者Blankenfeldt, W, Asuncion, M, Lam, J.S, Naimsmith, J.H.
登録日2000-10-12
公開日2000-12-27
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA).
EMBO J., 19, 2000
1G0R
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BU of 1g0r by Molmil
THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). THYMIDINE/GLUCOSE-1-PHOSPHATE COMPLEX.
分子名称: 1-O-phosphono-alpha-D-glucopyranose, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, SULFATE ION, ...
著者Blankenfeldt, W, Asuncion, M, Lam, J.S, Naismith, J.H.
登録日2000-10-07
公開日2000-12-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA).
EMBO J., 19, 2000
1G23
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BU of 1g23 by Molmil
THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). GLUCOSE-1-PHOSPHATE COMPLEX.
分子名称: 1-O-phosphono-alpha-D-glucopyranose, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, SULFATE ION
著者Blankenfeldt, W, Asuncion, M, Lam, J.S, Naismith, J.H.
登録日2000-10-16
公開日2000-12-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA).
EMBO J., 19, 2000
1FXO
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BU of 1fxo by Molmil
THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). TMP COMPLEX.
分子名称: GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, SULFATE ION, THYMIDINE-5'-PHOSPHATE
著者Blankenfeldt, W, Lam, J.S, Naismith, J.H.
登録日2000-09-26
公開日2000-12-27
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA).
EMBO J., 19, 2000
1FZW
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BU of 1fzw by Molmil
THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). APO ENZYME.
分子名称: GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, SULFATE ION
著者Blankenfeldt, W, Asuncion, M, Lam, J.S, Naismith, J.H.
登録日2000-10-04
公開日2000-12-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA).
EMBO J., 19, 2000
3SK1
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Crystal structure of phenazine resistance protein EhpR from Enterobacter agglomerans (Erwinia herbicola, Pantoea agglomerans) Eh1087, apo form
分子名称: EhpR
著者Blankenfeldt, W, Yu, S.
登録日2011-06-22
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Atomic resolution structure of EhpR: phenazine resistance in Enterobacter agglomerans Eh1087 follows principles of bleomycin / mitomycin C resistance in other bacteria.
Bmc Struct.Biol., 11, 2011
1G2V
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THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). TTP COMPLEX.
分子名称: GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, THYMIDINE-5'-TRIPHOSPHATE
著者Blankenfeldt, W, Asuncion, M, Lam, J.S, Naismith, J.H.
登録日2000-10-21
公開日2000-12-27
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA).
EMBO J., 19, 2000
1G3L
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THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). TDP-L-RHAMNOSE COMPLEX.
分子名称: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, SULFATE ION
著者Blankenfeldt, W, Asuncion, M, Lam, J.S, Naismith, J.H.
登録日2000-10-24
公開日2000-12-27
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA).
EMBO J., 19, 2000
3SK2
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Crystal structure of phenazine resistance protein EhpR from Enterobacter agglomerans (Erwinia herbicola, Pantoea agglomerans) Eh1087 in complex with griseoluteic acid
分子名称: 6-formyl-9-methoxyphenazine-1-carboxylic acid, EhpR
著者Blankenfeldt, W, Yu, S.
登録日2011-06-22
公開日2011-08-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Atomic resolution structure of EhpR: phenazine resistance in Enterobacter agglomerans Eh1087 follows principles of bleomycin / mitomycin C resistance in other bacteria.
Bmc Struct.Biol., 11, 2011
6EDL
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hALK in complex with compound 1 (S)-N-(1-(2,4-difluorophenyl)ethyl)-3-(3-methyl-1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-amine
分子名称: ALK tyrosine kinase receptor, N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine
著者Lane, W, Saikatendu, K.
登録日2018-08-09
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.799 Å)
主引用文献Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.
J.Med.Chem., 62, 2019
6EBW
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hALK in complex with compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-yl)ethyl)amino)-1-(3-methyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)(morpholin-4-yl)methanone
分子名称: ALK tyrosine kinase receptor, [6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone
著者Lane, W, Saikatendu, K.
登録日2018-08-07
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.455 Å)
主引用文献Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.
J.Med.Chem., 62, 2019
6E0R
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hALK in complex with compound 7 N-((1S)-1-(5-fluoropyridin-2-yl)ethyl)-1-(5-methyl-1H-pyrazol-3-yl)-3-(oxetan-3-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
分子名称: ALK tyrosine kinase receptor, N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
著者Lane, W, Saikatendu, K.
登録日2018-07-06
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.
J.Med.Chem., 62, 2019
4ZA1
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Crystal Structure of NosA Involved in Nosiheptide Biosynthesis
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, NosA
著者Liu, S, Guo, H, Zhang, T, Han, L, Yao, P, Zhang, Y, Rong, N, Yu, Y, Lan, W, Wang, C, Ding, J, Wang, R, Liu, W, Cao, C.
登録日2015-04-13
公開日2015-08-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based Mechanistic Insights into Terminal Amide Synthase in Nosiheptide-Represented Thiopeptides Biosynthesis
Sci Rep, 5, 2015
2LGK
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NMR Structure of UHRF1 PHD domains in a complex with histone H3 peptide
分子名称: E3 ubiquitin-protein ligase UHRF1, ZINC ION, histone H3 peptide
著者Wang, C, Shen, J, Yang, Z, Chen, P, Zhao, B, Hu, W, Lan, W, Tong, X, Wu, H, Li, G, Cao, C.
登録日2011-07-28
公開日2011-09-28
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger.
Cell Res., 21, 2011

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