5KPR
 
 | | PANK3-AMPPNP-Pantothenate complex | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, PANTOTHENOIC ACID, ... | | 著者 | White, S.W, Yun, M. | | 登録日 | 2016-07-05 | | 公開日 | 2016-08-31 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.827 Å) | | 主引用文献 | Allosteric Regulation of Mammalian Pantothenate Kinase.
J.Biol.Chem., 291, 2016
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5KPZ
 | | PANK3-ADP-PhosphoPantothenate complex | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine, ... | | 著者 | White, S.W, Yun, M. | | 登録日 | 2016-07-05 | | 公開日 | 2016-08-31 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Allosteric Regulation of Mammalian Pantothenate Kinase.
J.Biol.Chem., 291, 2016
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6PE6
 | | PANK3 complex structure with compound PZ-3022 | | 分子名称: | 6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | White, S.W, Yun, M. | | 登録日 | 2019-06-20 | | 公開日 | 2020-12-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Pantothenate kinase activation relieves coenzyme A sequestration and improves mitochondrial function in mice with propionic acidemia.
Sci Transl Med, 13, 2021
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7UE8
 | | PANK3 complex structure with compound PZ-3890 | | 分子名称: | 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one, ACETATE ION, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-21 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Relief of CoA sequestration and restoration of mitochondrial function in a mouse model of propionic acidemia.
J Inherit Metab Dis, 46, 2023
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8F2K
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5UC4
 | | Hsp90b N-terminal domain with inhibitors | | 分子名称: | 5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Deng, J, Peng, S, Balch, M, Matts, R. | | 登録日 | 2016-12-21 | | 公開日 | 2018-01-17 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
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6X4L
 | | PANK3 complex structure with compound PZ-3565 | | 分子名称: | 1,2-ETHANEDIOL, 1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one, CHLORIDE ION, ... | | 著者 | White, S.W, Yun, M. | | 登録日 | 2020-05-22 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | LipE guided discovery of isopropylphenyl pyridazines as pantothenate kinase modulators.
Bioorg.Med.Chem., 52, 2021
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6X4K
 | | PANK3 complex structure with compound PZ-2890 | | 分子名称: | 1,2-ETHANEDIOL, 4-(6-cyanopyridazin-3-yl)-N-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2H)-carboxamide, CHLORIDE ION, ... | | 著者 | White, S.W, Yun, M. | | 登録日 | 2020-05-22 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | LipE guided discovery of isopropylphenyl pyridazines as pantothenate kinase modulators.
Bioorg.Med.Chem., 52, 2021
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6X4J
 | | PANK3 complex structure with compound PZ-2863 | | 分子名称: | 1,2-ETHANEDIOL, 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile, MAGNESIUM ION, ... | | 著者 | White, S.W, Yun, M. | | 登録日 | 2020-05-22 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | LipE guided discovery of isopropylphenyl pyridazines as pantothenate kinase modulators.
Bioorg.Med.Chem., 52, 2021
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2W9H
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2W9G
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2W9S
 | | Staphylococcus aureus S1:DHFR in complex with trimethoprim | | 分子名称: | DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Soutter, H.H, Miller, J.R. | | 登録日 | 2009-01-28 | | 公開日 | 2009-03-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural Comparison of Chromosomal and Exogenous Dihydrofolate Reductase from Staphylococcus Aureus in Complex with the Potent Inhibitor Trimethoprim.
Proteins, 76, 2009
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3LSJ
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3LSR
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3LSP
 | | Crystal Structure of DesT bound to desCB promoter and oleoyl-CoA | | 分子名称: | DNA (5'-D(*TP*CP*AP*AP*TP*CP*GP*AP*GP*TP*CP*AP*AP*CP*AP*AP*GP*CP*GP*TP*TP*CP*AP*CP*TP*GP*AP*TP*GP*TP*A)-3'), DNA (5'-D(*TP*TP*AP*CP*AP*TP*CP*AP*GP*TP*GP*AP*AP*CP*GP*CP*TP*TP*GP*TP*TP*GP*AP*CP*TP*CP*GP*AP*TP*TP*G)-3'), DesT, ... | | 著者 | Miller, D.J, White, S.W. | | 登録日 | 2010-02-12 | | 公開日 | 2010-08-04 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Structural basis for the transcriptional regulation of membrane lipid homeostasis.
Nat.Struct.Mol.Biol., 17, 2010
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5UCJ
 | | Hsp90b N-terminal domain with inhibitors | | 分子名称: | (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-beta | | 著者 | Peng, S, Balch, M, Matts, R, Deng, J. | | 登録日 | 2016-12-22 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.693 Å) | | 主引用文献 | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
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5UCI
 | | Hsp90b N-terminal domain with inhibitors | | 分子名称: | (2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Peng, S, Balch, M, Matts, R, Deng, J. | | 登録日 | 2016-12-22 | | 公開日 | 2018-01-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
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5UCH
 | | Hsp90b N-terminal domain with inhibitors | | 分子名称: | 2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Peng, S, Balch, M, Matts, R, Deng, J. | | 登録日 | 2016-12-22 | | 公開日 | 2018-01-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.654 Å) | | 主引用文献 | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
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9D2R
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9D2Q
 | | Crystal structure of E. coli Threonine dehydratase | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, L-threonine dehydratase biosynthetic IlvA, ... | | 著者 | Yun, M, Rock, C.O. | | 登録日 | 2024-08-09 | | 公開日 | 2025-04-09 | | 最終更新日 | 2025-07-09 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Isoleucine Binding and Regulation of Escherichia coli and Staphylococcus aureus Threonine Dehydratase (IlvA).
Biochemistry, 64, 2025
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9D2S
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9D2T
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7UEO
 | | PANK3 complex structure with compound PZ-3977 | | 分子名称: | 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-22 | | 公開日 | 2023-03-29 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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7UES
 | | PANK3 complex structure with compound PZ-4202 | | 分子名称: | MAGNESIUM ION, N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-22 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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7UER
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