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PDB: 314 results

8IE8
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BU of 8ie8 by Molmil
Crystal structure of DAPK1 in complex with isorhapontigenin
Descriptor: 5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol, Death-associated protein kinase 1, SULFATE ION
Authors:Yokoyama, T.
Deposit date:2023-02-15
Release date:2023-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
8IE7
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BU of 8ie7 by Molmil
Crystal structure of DAPK1 in complex with pterostilbene
Descriptor: Death-associated protein kinase 1, Pterostilbene, SULFATE ION
Authors:Yokoyama, T.
Deposit date:2023-02-15
Release date:2023-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
8IE6
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BU of 8ie6 by Molmil
Crystal structure of DAPK1 in complex with pinostilbene
Descriptor: 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol, Death-associated protein kinase 1, SULFATE ION
Authors:Yokoyama, T.
Deposit date:2023-02-15
Release date:2023-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
8IE5
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BU of 8ie5 by Molmil
Crystal structure of DAPK1 in complex with oxyresveratrol
Descriptor: Death-associated protein kinase 1, SULFATE ION, trans-oxyresveratrol
Authors:Yokoyama, T.
Deposit date:2023-02-15
Release date:2023-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
4Y9C
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BU of 4y9c by Molmil
Crystal structure of V30M mutated transthyretin with bromide in complex with alpha-mangostin
Descriptor: 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, BROMIDE ION, Transthyretin
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2015-02-17
Release date:2015-09-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor
Sci Rep, 5, 2015
4Y9G
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BU of 4y9g by Molmil
Crystal structure of V30M mutated transthyretin in complex with 3-isomangostin
Descriptor: 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one, Transthyretin
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2015-02-17
Release date:2015-09-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor
Sci Rep, 5, 2015
4Y9B
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BU of 4y9b by Molmil
Crystal structure of V30M mutated transthyretin in complex with alpha-mangostin
Descriptor: 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, CALCIUM ION, CHLORIDE ION, ...
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2015-02-17
Release date:2015-09-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor
Sci Rep, 5, 2015
4Y9F
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BU of 4y9f by Molmil
Crystal structure of V30M mutated transthyretin with bromide in complex with gamma-mangostin
Descriptor: 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, BROMIDE ION, Transthyretin
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2015-02-17
Release date:2015-09-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor
Sci Rep, 5, 2015
4Y9E
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BU of 4y9e by Molmil
Crystal structure of V30M mutated transthyretin in complex with gamma-mangostin
Descriptor: 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, CHLORIDE ION, Transthyretin
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2015-02-17
Release date:2015-09-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor
Sci Rep, 5, 2015
5AUU
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BU of 5auu by Molmil
Crystal structure of DAPK1 in complex with luteolin.
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Death-associated protein kinase 1
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2015-06-10
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AUY
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BU of 5auy by Molmil
Crystal structure of DAPK1 in complex with morin.
Descriptor: 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, Death-associated protein kinase 1
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2015-06-10
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AUZ
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BU of 5auz by Molmil
Crystal structure of DAPK1 in complex with genistein.
Descriptor: Death-associated protein kinase 1, GENISTEIN
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2015-06-10
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AV2
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BU of 5av2 by Molmil
Crystal structure of DAPK1-kaempferol complex in the presence of bromide ions.
Descriptor: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, BROMIDE ION, Death-associated protein kinase 1
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2015-06-10
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AV1
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BU of 5av1 by Molmil
Crystal structure of DAPK1 in the presence of bromide ions.
Descriptor: BROMIDE ION, Death-associated protein kinase 1
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2015-06-10
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AUX
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BU of 5aux by Molmil
Crystal structure of DAPK1 in complex with kaempferol.
Descriptor: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, Death-associated protein kinase 1
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2015-06-10
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AUT
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BU of 5aut by Molmil
Crystal structure of DAPK1 in complex with ANS.
Descriptor: 8-ANILINO-1-NAPHTHALENE SULFONATE, Death-associated protein kinase 1
Authors:Yokoyama, T, Mizuguchi, M, Kosaka, Y.
Deposit date:2015-06-10
Release date:2015-10-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AV0
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BU of 5av0 by Molmil
Crystal structure of DAPK1 in complex with 7,3',4'-trihydroxyisoflavone.
Descriptor: 3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, Death-associated protein kinase 1
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2015-06-10
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AUV
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BU of 5auv by Molmil
Crystal structure of DAPK1 in complex with apigenin.
Descriptor: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, CHLORIDE ION, Death-associated protein kinase 1
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2015-06-10
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AV3
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BU of 5av3 by Molmil
Crystal structure of DAPK1-kaempferol complex in the presence of iodide ions.
Descriptor: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, Death-associated protein kinase 1, IODIDE ION
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2015-06-10
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AUW
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BU of 5auw by Molmil
Crystal structure of DAPK1 in complex with quercetin.
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Death-associated protein kinase 1
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2015-06-10
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5AV4
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BU of 5av4 by Molmil
Crystal structure of DAPK1-genistein complex in the presence of bromide ions.
Descriptor: BROMIDE ION, Death-associated protein kinase 1, GENISTEIN
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2015-06-10
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
7CCU
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BU of 7ccu by Molmil
Crystal structure of death-associated protein kinase 1 in complex with resveratrol
Descriptor: Death-associated protein kinase 1, RESVERATROL, SULFATE ION
Authors:Yokoyama, T, Suzuki, R, Mizuguchi, M.
Deposit date:2020-06-18
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Crystal structure of death-associated protein kinase 1 in complex with the dietary compound resveratrol.
Iucrj, 8, 2020
7CCV
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BU of 7ccv by Molmil
Crystal structure of death-associated protein kinase 1 in complex with piceatannol
Descriptor: Death-associated protein kinase 1, PICEATANNOL, SULFATE ION
Authors:Yokoyama, T, Suzuki, R, Mizuguchi, M.
Deposit date:2020-06-18
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.753 Å)
Cite:Crystal structure of death-associated protein kinase 1 in complex with the dietary compound resveratrol.
Iucrj, 8, 2020
6AA4
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BU of 6aa4 by Molmil
Crystal structure of MTH1 in complex with alpha-mangostin (cocktail No. 9)
Descriptor: 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ...
Authors:Yokoyama, T, Kitakami, R, Mizuguchi, M.
Deposit date:2018-07-17
Release date:2019-03-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019
6AA3
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BU of 6aa3 by Molmil
Crystal structure of MTH1 in apo form (cocktail No. 1)
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ZINC ION
Authors:Yokoyama, T, Kitakami, R, Mizuguchi, M.
Deposit date:2018-07-17
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019

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