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6DB0
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BU of 6db0 by Molmil
N-Terminal bromodomain of Human BRD2 with a Tetrahydroquinoline analogue
Descriptor: 1,2-ETHANEDIOL, 1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:White, S.W, Yun, M.
Deposit date:2018-05-02
Release date:2019-11-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:N-Terminal bromodomain of Human BRD2 with a Tetrahydroquinoline analogue
To Be Published
6DBC
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BU of 6dbc by Molmil
Second bromodomain of Human BRD2 with a Tetrahydroquinoline analogue
Descriptor: 1,2-ETHANEDIOL, 1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one, Bromodomain-containing protein 2
Authors:White, S.W, Yun, M.
Deposit date:2018-05-03
Release date:2019-11-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Second bromodomain of Human BRD2 with a Tetrahydroquinoline analogue
To Be Published
1HUU
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BU of 1huu by Molmil
DNA-BINDING PROTEIN HU FROM BACILLUS STEAROTHERMOPHILUS
Descriptor: PROTEIN HU
Authors:White, S.W, Tanaka, I, Appelt, K, Wilson, K.S.
Deposit date:1998-07-06
Release date:1999-01-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:A protein structural motif that bends DNA.
Proteins, 5, 1989
6WWB
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BU of 6wwb by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the compound 3b
Descriptor: 1,2-ETHANEDIOL, 2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1H-1,2,3-triazol-4-yl)methyl)acetamide, Bromodomain-containing protein 2
Authors:White, S.W, Yun, M.
Deposit date:2020-05-08
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Phenyl-Glutarimides: Alternative Cereblon Binders for the Design of PROTACs.
Angew.Chem.Int.Ed.Engl., 60, 2021
7UE6
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BU of 7ue6 by Molmil
PANK3 complex structure with compound PZ-3802
Descriptor: 1,2-ETHANEDIOL, 6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile, ACETATE ION, ...
Authors:White, S.W, Yun, M, Lee, R.E.
Deposit date:2022-03-21
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UER
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BU of 7uer by Molmil
PANK3 complex structure with compound PZ-4071
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, MAGNESIUM ION, ...
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
7UEU
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BU of 7ueu by Molmil
PANK3 complex structure with compound PZ-4215
Descriptor: 1,2-ETHANEDIOL, AMP PHOSPHORAMIDATE, MAGNESIUM ION, ...
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 (2 Å)
Cite:Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UET
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BU of 7uet by Molmil
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
7UEV
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BU of 7uev by Molmil
PANK3 complex structure with compound PZ-4200
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
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
7UEQ
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BU of 7ueq by Molmil
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:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UES
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BU of 7ues by Molmil
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
7UEY
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BU of 7uey by Molmil
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
7UEX
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BU of 7uex by Molmil
PANK3 complex structure with compound PZ-4127
Descriptor: 1,2-ETHANEDIOL, 2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate, ACETATE ION, ...
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
7TTD
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BU of 7ttd by Molmil
Tubulin-RB3_SLD in complex with compound 12e
Descriptor: 7-methoxy-4-[2-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:White, S.W, Yun, M.
Deposit date:2022-02-01
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
7TTE
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BU of 7tte by Molmil
Tubulin-RB3_SLD in complex with compound 12j
Descriptor: 4-[2-(cyclopropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:White, S.W, Yun, M.
Deposit date:2022-02-01
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
7TTF
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BU of 7ttf by Molmil
Tubulin-RB3_SLD in complex with compound 12k
Descriptor: 7-methoxy-4-[2-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:White, S.W, Yun, M.
Deposit date:2022-02-01
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
7UE7
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BU of 7ue7 by Molmil
PANK3 complex structure with compound PZ-3883
Descriptor: 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, ACETATE ION, ...
Authors:White, S.W, Yun, M, Lee, R.E.
Deposit date:2022-03-21
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UE3
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BU of 7ue3 by Molmil
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:2023-10-25
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UEP
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BU of 7uep by Molmil
PANK3 complex structure with compound PZ-3860
Descriptor: 1,2-ETHANEDIOL, 1-[(2R)-4-(6-chloropyridazin-3-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one, MAGNESIUM ION, ...
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 (2 Å)
Cite:Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UE4
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BU of 7ue4 by Molmil
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:2023-10-25
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UE5
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BU of 7ue5 by Molmil
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:2023-10-25
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UEO
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BU of 7ueo by Molmil
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:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UE8
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BU of 7ue8 by Molmil
PANK3 complex structure with compound PZ-3890
Descriptor: 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)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:2023-10-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Relief of CoA sequestration and restoration of mitochondrial function in a mouse model of propionic acidemia.
J Inherit Metab Dis, 46, 2023
8DIQ
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BU of 8diq by Molmil
Tubulin-RB3_SLD-TTL in complex with SB226
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2022-06-29
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:SB226, an inhibitor of tubulin polymerization, inhibits paclitaxel-resistant melanoma growth and spontaneous metastasis.
Cancer Lett., 555, 2022
5KQD
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BU of 5kqd by Molmil
PANK3:Palmitoyl-CoA complex
Descriptor: Palmitoyl-CoA, Pantothenate kinase 3, SULFATE ION
Authors:White, S.W, Yun, M.
Deposit date:2016-07-06
Release date:2016-08-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric Regulation of Mammalian Pantothenate Kinase.
J.Biol.Chem., 291, 2016

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