5KPR
 
 | | PANK3-AMPPNP-Pantothenate complex | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PANTOTHENOIC ACID, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2016-07-05 | | Release date: | 2016-08-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.827 Å) | | Cite: | Allosteric Regulation of Mammalian Pantothenate Kinase.
J.Biol.Chem., 291, 2016
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5KPZ
 | | PANK3-ADP-PhosphoPantothenate complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2016-07-05 | | Release date: | 2016-08-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Allosteric Regulation of Mammalian Pantothenate Kinase.
J.Biol.Chem., 291, 2016
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2K93
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2K94
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6X4L
 | | PANK3 complex structure with compound PZ-3565 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one, CHLORIDE ION, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2020-05-22 | | Release date: | 2021-11-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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 | | Descriptor: | 1,2-ETHANEDIOL, 4-(6-cyanopyridazin-3-yl)-N-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2H)-carboxamide, CHLORIDE ION, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2020-05-22 | | Release date: | 2021-11-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 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 | | Descriptor: | 1,2-ETHANEDIOL, 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile, MAGNESIUM ION, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2020-05-22 | | Release date: | 2021-11-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | LipE guided discovery of isopropylphenyl pyridazines as pantothenate kinase modulators.
Bioorg.Med.Chem., 52, 2021
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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 | | Descriptor: | 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, ... | | Authors: | Miller, D.J, White, S.W. | | Deposit date: | 2010-02-12 | | Release date: | 2010-08-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Structural basis for the transcriptional regulation of membrane lipid homeostasis.
Nat.Struct.Mol.Biol., 17, 2010
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3MK6
 | | Substrate and Inhibitor Binding to Pank | | Descriptor: | ACETYL COENZYME *A, GLYCEROL, Pantothenate kinase 3 | | Authors: | Yun, M.-K, White, S.W. | | Deposit date: | 2010-04-14 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Modulation of Pantothenate Kinase 3 Activity by Small Molecules that Interact with the Substrate/Allosteric Regulatory Domain.
Chem.Biol., 17, 2010
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2K92
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6CLV
 | | Staphylococcus aureus Dihydropteroate Synthase (saDHPS) F17L E208K double mutant structure | | Descriptor: | 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 | | Authors: | Gajewski, S, Griffith, E.C, Wu, Y, White, S.W. | | Deposit date: | 2018-03-02 | | Release date: | 2018-08-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Structural and Functional Basis for Recurring Sulfa Drug Resistance Mutations inStaphylococcus aureusDihydropteroate Synthase.
Front Microbiol, 9, 2018
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6CLU
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6NXD
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7UEO
 | | PANK3 complex structure with compound PZ-3977 | | Descriptor: | 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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 | | Descriptor: | MAGNESIUM ION, N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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7UER
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7UE5
 | | PANK3 complex structure with compound PZ-3741 | | Descriptor: | 6-[4-({4-[(2R)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, 6-[4-({4-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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7UEV
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7UE4
 | | PANK3 complex structure with compound PZ-3855 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one, ACETATE ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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7UE3
 | | PANK3 complex structure with compound PZ-3804 | | Descriptor: | 1,2-ETHANEDIOL, 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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7UEQ
 | | PANK3 complex structure with compound PZ-4061 | | Descriptor: | 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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7UET
 | | PANK3 complex structure with compound PZ-4140 | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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7UEY
 | | PANK3 complex structure with compound PZ-4128 | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-hydroxyacetamide, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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