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PDB: 374 件
7UEX
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BU of 7uex by Molmil
PANK3 complex structure with compound PZ-4127
分子名称: 1,2-ETHANEDIOL, 2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate, ACETATE 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2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, ACETATE ION, 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2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one, MAGNESIUM ION, 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 (1.7 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-hydroxyacetamide, ...
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 (1.7 Å)
主引用文献Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UE6
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BU of 7ue6 by Molmil
PANK3 complex structure with compound PZ-3802
分子名称: 1,2-ETHANEDIOL, 6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile, ACETATE ION, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-21
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
8DIQ
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BU of 8diq by Molmil
Tubulin-RB3_SLD-TTL in complex with SB226
分子名称: 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, ...
著者White, S.W, Yun, M.
登録日2022-06-29
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.395 Å)
主引用文献SB226, an inhibitor of tubulin polymerization, inhibits paclitaxel-resistant melanoma growth and spontaneous metastasis.
Cancer Lett., 555, 2022
7LZ8
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BU of 7lz8 by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5t
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
著者White, S.W, Yun, M.
登録日2021-03-09
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
7LZ7
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BU of 7lz7 by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5k
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
著者White, S.W, Yun, M.
登録日2021-03-09
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
7UEP
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BU of 7uep by Molmil
PANK3 complex structure with compound PZ-3860
分子名称: 1,2-ETHANEDIOL, 1-[(2R)-4-(6-chloropyridazin-3-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one, 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2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: 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, ...
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 (1.63 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM 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 (1.56 Å)
主引用文献Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UE7
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BU of 7ue7 by Molmil
PANK3 complex structure with compound PZ-3883
分子名称: 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, 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 (1.55 Å)
主引用文献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
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
7UE4
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BU of 7ue4 by Molmil
PANK3 complex structure with compound PZ-3855
分子名称: 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)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 (1.94 Å)
主引用文献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
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
6GOX
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BU of 6gox by Molmil
SecA
分子名称: Protein translocase subunit SecA
著者White, S.A, Huber, D.
登録日2018-06-04
公開日2019-06-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The C-terminal tail of the bacterial translocation ATPase SecA modulates its activity.
Elife, 8, 2019
5KQD
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BU of 5kqd by Molmil
PANK3:Palmitoyl-CoA complex
分子名称: Palmitoyl-CoA, Pantothenate kinase 3, SULFATE ION
著者White, S.W, Yun, M.
登録日2016-07-06
公開日2016-08-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Allosteric Regulation of Mammalian Pantothenate Kinase.
J.Biol.Chem., 291, 2016
1HUU
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BU of 1huu by Molmil
DNA-BINDING PROTEIN HU FROM BACILLUS STEAROTHERMOPHILUS
分子名称: PROTEIN HU
著者White, S.W, Tanaka, I, Appelt, K, Wilson, K.S.
登録日1998-07-06
公開日1999-01-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A protein structural motif that bends DNA.
Proteins, 5, 1989
5KPR
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BU of 5kpr by Molmil
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
5KPT
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BU of 5kpt by Molmil
PANK3-AMPPNP complex
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
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 (2.301 Å)
主引用文献Allosteric Regulation of Mammalian Pantothenate Kinase.
J.Biol.Chem., 291, 2016
5KQ8
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BU of 5kq8 by Molmil
PANK3-AMPPN complex
分子名称: 1,2-ETHANEDIOL, AMP PHOSPHORAMIDATE, MAGNESIUM ION, ...
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 (2.002 Å)
主引用文献Allosteric Regulation of Mammalian Pantothenate Kinase.
J.Biol.Chem., 291, 2016
5KPZ
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BU of 5kpz by Molmil
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
6PE6
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BU of 6pe6 by Molmil
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
6ATH
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BU of 6ath by Molmil
Cdk2/cyclin A/p27-KID-deltaC
分子名称: Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B, ...
著者White, S.W, Yun, M.
登録日2017-08-29
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Dynamic anticipation by Cdk2/Cyclin A-bound p27 mediates signal integration in cell cycle regulation.
Nat Commun, 10, 2019
3FIQ
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BU of 3fiq by Molmil
Odorant Binding Protein OBP1
分子名称: 1,2-ETHANEDIOL, Odorant-binding protein 1F
著者White, S.A.
登録日2008-12-12
公開日2009-05-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Structure of rat odorant-binding protein OBP1 at 1.6 A resolution
Acta Crystallogr.,Sect.D, 65, 2009

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件を2024-06-12に公開中

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