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4CBT
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BU of 4cbt by Molmil
Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease
分子名称: (1R,2R,3R)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, ZINC ION
著者Burli, R.W, Luckhurst, C.A, Aziz, O, Matthews, K.L, Yates, D, Lyons, K.A, Beconi, M, McAllister, G, Breccia, P, Stott, A.J, Penrose, S.D, Wall, M, Lamers, M, Leonard, P, Mueller, I, Richardson, C.M, Jarvis, R, Stones, L, Hughes, S, Wishart, G, Haughan, A.F, O'Connell, C, Mead, T, McNeil, H, Vann, J, Mangette, J, Maillard, M, Beaumont, V, Munoz-Sanjuan, I, Dominguez, C.
登録日2013-10-16
公開日2013-12-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease.
J. Med. Chem., 56, 2013
5A2S
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BU of 5a2s by Molmil
Potent, selective and CNS-penetrant tetrasubstituted cyclopropane class IIa histone deacetylase (HDAC) inhibitors
分子名称: (1S,2S,3S)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, SODIUM ION, ...
著者Luckhurst, C.A, Breccia, P, Stott, A.J, Aziz, O, Birch, H, Burli, R.W, Hughes, S, Jarvis, R.E, Lamers, M, Leonard, P, Matthews, K.L, McAllister, G, Pollack, S, Saville-Stones, E, Wishart, G, Yates, D, Dominguez, C.
登録日2015-05-22
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Potent, Selective, and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors.
Acs Med.Chem.Lett., 7, 2016
4CBY
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BU of 4cby by Molmil
Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease
分子名称: (1R,2R,3R)-2-[4-(1,3-oxazol-5-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, SODIUM ION, ...
著者Burli, R.W, Luckhurst, C.A, Aziz, O, Matthews, K.L, Yates, D, Lyons, K.A, Beconi, M, McAllister, G, Breccia, P, Stott, A.J, Penrose, S.D, Wall, M, Lamers, M, Leonard, P, Mueller, I, Richardson, C.M, Jarvis, R, Stones, L, Hughes, S, Wishart, G, Haughan, A.F, O'Connell, C, Mead, T, McNeil, H, Vann, J, Mangette, J, Maillard, M, Beaumont, V, Munoz-Sanjuan, I, Dominguez, C.
登録日2013-10-17
公開日2013-12-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease.
J. Med. Chem., 56, 2013
7P6N
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BU of 7p6n by Molmil
ROCK2 IN COMPLEX WITH COMPOUND 12
分子名称: Rho-associated protein kinase 2, ~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide
著者Maillard, M.C.
登録日2021-07-16
公開日2022-07-27
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification of a Potent, Selective, and Brain-Penetrant Rho Kinase Inhibitor and its Activity in a Mouse Model of Huntington's Disease.
J.Med.Chem., 65, 2022
6I3U
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BU of 6i3u by Molmil
Optimization of potent and selective ATM inhibitors suitable for a proof-of-concept study in Huntington's disease models
分子名称: 2-morpholin-4-yl-6-[7-[(2~{R})-1-morpholin-4-ylpropan-2-yl]oxy-9~{H}-thioxanthen-4-yl]pyran-4-one, Phosphatidylinositol 3-kinase catalytic subunit type 3
著者Leonard, P.M.
登録日2018-11-07
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Optimization of Potent and Selective Ataxia Telangiectasia-Mutated Inhibitors Suitable for a Proof-of-Concept Study in Huntington's Disease Models.
J.Med.Chem., 62, 2019
5FA5
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BU of 5fa5 by Molmil
Crystal Structure of PRMT5:MEP50 in complex with MTA and H4 peptide
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Histone H4, Methylosome protein 50, ...
著者Sprague, E.R, McNamara, J.T.
登録日2015-12-10
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Disordered methionine metabolism in MTAP/CDKN2A-deleted cancers leads to dependence on PRMT5.
Science, 351, 2016
1IMA
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BU of 1ima by Molmil
STRUCTURAL ANALYSIS OF INOSITOL MONOPHOSPHATASE COMPLEXES WITH SUBSTRATES
分子名称: D-MYO-INOSITOL-1-PHOSPHATE, GADOLINIUM ATOM, INOSITOL MONOPHOSPHATASE
著者Bone, R.
登録日1994-02-08
公開日1995-02-27
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural analysis of inositol monophosphatase complexes with substrates.
Biochemistry, 33, 1994
1IMB
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BU of 1imb by Molmil
STRUCTURAL ANALYSIS OF INOSITOL MONOPHOSPHATASE COMPLEXES WITH SUBSTRATES
分子名称: GADOLINIUM ATOM, INOSITOL MONOPHOSPHATASE, L-MYO-INOSITOL-1-PHOSPHATE
著者Bone, R.
登録日1994-02-08
公開日1995-02-27
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of inositol monophosphatase complexes with substrates.
Biochemistry, 33, 1994
4FN5
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BU of 4fn5 by Molmil
ELONGATION FACTOR G 1 (PSEUDOMONAS AERUGINOSA) IN COMPLEX WITH Argyrin B
分子名称: Argyrin B, Elongation factor G 1
著者Kirby, C.A, Palestrant, D.
登録日2012-06-19
公開日2012-09-26
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of elongation factor g as the conserved cellular target of argyrin B.
Plos One, 7, 2012
6YKG
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BU of 6ykg by Molmil
Structure-based exploration of selectivity for ATM inhibitors in Huntingtons disease
分子名称: 4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one, Phosphatidylinositol 3-kinase catalytic subunit type 3
著者Van de Poel, A, Leonard, P.M, Lamers, M.B.A.C.
登録日2020-04-06
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structure-Based Exploration of Selectivity for ATM Inhibitors in Huntington's Disease.
J.Med.Chem., 64, 2021
2HHM
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BU of 2hhm by Molmil
STRUCTURE OF INOSITOL MONOPHOSPHATASE, THE PUTATIVE TARGET OF LITHIUM THERAPY
分子名称: GADOLINIUM ATOM, INOSITOL MONOPHOSPHATASE, SULFATE ION
著者Bone, R.
登録日1992-10-20
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of inositol monophosphatase, the putative target of lithium therapy.
Proc.Natl.Acad.Sci.USA, 89, 1992
1IMF
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BU of 1imf by Molmil
STRUCTURAL STUDIES OF METAL BINDING BY INOSITOL MONOPHOSPHATASE: EVIDENCE FOR TWO-METAL ION CATALYSIS
分子名称: INOSITOL MONOPHOSPHATASE
著者Bone, R.
登録日1994-02-08
公開日1995-02-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural studies of metal binding by inositol monophosphatase: evidence for two-metal ion catalysis.
Biochemistry, 33, 1994
1IMC
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BU of 1imc by Molmil
STRUCTURAL STUDIES OF METAL BINDING BY INOSITOL MONOPHOSPHATASE: EVIDENCE FOR TWO-METAL ION CATALYSIS
分子名称: CHLORIDE ION, INOSITOL MONOPHOSPHATASE, MANGANESE (II) ION
著者Bone, R.
登録日1994-02-08
公開日1995-02-27
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural studies of metal binding by inositol monophosphatase: evidence for two-metal ion catalysis.
Biochemistry, 33, 1994
1IMD
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BU of 1imd by Molmil
STRUCTURAL STUDIES OF METAL BINDING BY INOSITOL MONOPHOSPHATASE: EVIDENCE FOR TWO-METAL ION CATALYSIS
分子名称: INOSITOL MONOPHOSPHATASE, MANGANESE (II) ION, PHOSPHATE ION
著者Bone, R.
登録日1994-02-08
公開日1995-02-27
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural studies of metal binding by inositol monophosphatase: evidence for two-metal ion catalysis.
Biochemistry, 33, 1994
1IME
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BU of 1ime by Molmil
STRUCTURAL STUDIES OF METAL BINDING BY INOSITOL MONOPHOSPHATASE: EVIDENCE FOR TWO-METAL ION CATALYSIS
分子名称: CALCIUM ION, INOSITOL MONOPHOSPHATASE
著者Bone, R.
登録日1994-02-08
公開日1995-02-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural studies of metal binding by inositol monophosphatase: evidence for two-metal ion catalysis.
Biochemistry, 33, 1994

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