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PDB: 13 件
6T8X
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BU of 6t8x by Molmil
Crystal structure of MAPKAPK2 (MK2) complexed with PF-3644022 and 5-(4-bromophenyl)-N-[4-(1-piperazinyl)phenyl]-N-(2-pyridinylmethyl)-2-furancarboxamide
分子名称: (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one, 5-(4-bromophenyl)-~{N}-(4-piperazin-1-ylphenyl)-~{N}-(pyridin-2-ylmethyl)furan-2-carboxamide, CHLORIDE ION, ...
著者Beaumont, E.J, Barker, J.
登録日2019-10-25
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Crystal structure of MAPKAPK2 (MK2) complexed with PF-3644022 and 5-(4-bromophenyl)-N-[4-(1-piperazinyl)phenyl]-N-(2-pyridinylmethyl)-2-furancarboxamide
To Be Published
5N0Z
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hPAD4 crystal complex with AFM-41a
分子名称: 2-ethyl-~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxamide, CALCIUM ION, Protein-arginine deiminase type-4, ...
著者Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S.
登録日2017-02-03
公開日2017-05-24
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
5N1B
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hPAD4 crystal complex with AFM-14a
分子名称: CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ...
著者Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S.
登録日2017-02-06
公開日2017-05-24
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
5N0M
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hPAD4 crystal complex with BB-F-amidine
分子名称: CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ...
著者Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S.
登録日2017-02-03
公開日2017-05-24
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
5N0Y
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BU of 5n0y by Molmil
hPAD4 crystal complex with AFM-30a
分子名称: CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ...
著者Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S.
登録日2017-02-03
公開日2017-05-24
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
7PAD
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The crystal structure of DW-0254 in complex with PDE6D
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, NICKEL (II) ION, ...
著者Beaumont, E, Williams, D.
登録日2021-07-29
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
7PAE
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BU of 7pae by Molmil
The crystal structure of Deltarasin in complex with PDE6D
分子名称: ACETIC ACID, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, deltarasin
著者Beaumont, E, Williams, D.
登録日2021-07-29
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
7PAC
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The crystal structure of PDE6D in the apo state
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Beaumont, E, Williams, D.
登録日2021-07-29
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
8QL0
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Structure of human PAD6 Phosphomimic mutant V10E/S446E, apo
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Ranaivoson, F.M, Beaumont, E.
登録日2023-09-18
公開日2024-05-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.675 Å)
主引用文献Crystal structure of human peptidylarginine deiminase type VI (PAD6) provides insights into its inactivity.
Iucrj, 11, 2024
4N1B
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STRUCTURE OF KEAP1 KELCH DOMAIN WITH(1S,2R)-2-[(1S)-1-[(1-oxo-2,3-dihydro-1H-isoindol-2-Yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-Carbonyl]cyclohexane-1-carboxylic acid
分子名称: (1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1
著者Smith, M.A, Duclos, S, Beaumont, E, Kwong, J, Brooks, M, Barker, J, Jnoff, E, Brookfield, F, Courade, J.P, Barker, O, Fryatt, T, Albrecht, C, Bromidge, S.
登録日2013-10-03
公開日2014-02-19
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
4L7D
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BU of 4l7d by Molmil
Structure of keap1 kelch domain with (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid
分子名称: (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1
著者Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A.
登録日2013-06-13
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
4L7C
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BU of 4l7c by Molmil
Structure of keap1 kelch domain with 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
分子名称: 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione, ACETATE ION, Kelch-like ECH-associated protein 1
著者Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A.
登録日2013-06-13
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
4L7B
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Structure of keap1 kelch domain with (1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid
分子名称: (1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ...
著者Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A.
登録日2013-06-13
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014

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件を2024-05-15に公開中

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