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8DSG
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BU of 8dsg by Molmil
P411-PFA carbene transferase
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450-BM3 variant P411-PFA, ...
著者Maggiolo, A.O, Porter, N.J, Zhang, J, Arnold, F.H.
登録日2022-07-22
公開日2023-03-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Chemodivergent C(sp 3 )-H and C(sp 2 )-H Cyanomethylation Using Engineered Carbene Transferases.
Nat Catal, 6, 2023
6VNR
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BU of 6vnr by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 6 Catalytic Domain 2 (CD2) Complexed with Bishydroxamic Acid Inhibitor
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide, ...
著者Osko, J.D, Porter, N.J, Christianson, D.W.
登録日2020-01-29
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.94301319 Å)
主引用文献Design and Synthesis of Dihydroxamic Acids as HDAC6/8/10 Inhibitors.
Chemmedchem, 15, 2020
7JVW
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BU of 7jvw by Molmil
Crystal structure of human histone deacetylase 8 (HDAC8) G320R mutation complexed with M344
分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M.
登録日2020-08-24
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.40301776 Å)
主引用文献Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders.
J.Struct.Biol., 213, 2020
7JVV
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BU of 7jvv by Molmil
Crystal structure of human histone deacetylase 8 (HDAC8) E66D/Y306F double mutation complexed with a tetrapeptide substrate
分子名称: 1,2-ETHANEDIOL, ACE-ARG-HIS-ALY-ALY-MCM, GLYCEROL, ...
著者Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M.
登録日2020-08-24
公開日2020-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders.
J.Struct.Biol., 213, 2020
7JVU
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BU of 7jvu by Molmil
Crystal structure of human histone deacetylase 8 (HDAC8) I45T mutation complexed with SAHA
分子名称: 1,2-ETHANEDIOL, Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ...
著者Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M.
登録日2020-08-24
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5004766 Å)
主引用文献Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders.
J.Struct.Biol., 213, 2020
7UTE
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BU of 7ute by Molmil
MicroED structure of Aeropyrum pernix protoglobin mutant
分子名称: IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, Protogloblin ApPgb
著者Danelius, E, Gonen, T, Unge, J.T.
登録日2022-04-26
公開日2022-05-25
最終更新日2024-04-03
実験手法ELECTRON CRYSTALLOGRAPHY (2.1 Å)
主引用文献Biocatalytic Carbene Transfer Using Diazirines.
J.Am.Chem.Soc., 144, 2022
6DVN
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BU of 6dvn by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-137
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide, ...
著者Osko, J.D, Christianson, D.W.
登録日2018-06-24
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
8EUM
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BU of 8eum by Molmil
MicroED structure of an Aeropyrum pernix protoglobin mutant
分子名称: FE (III) ION, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Danelius, E, Gonen, T, Unge, J.T.
登録日2022-10-18
公開日2023-11-08
最終更新日2024-05-22
実験手法ELECTRON CRYSTALLOGRAPHY (2.1 Å)
主引用文献MicroED Structure of a Protoglobin Reactive Carbene Intermediate.
J.Am.Chem.Soc., 145, 2023
6PZS
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BU of 6pzs by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JR005
分子名称: 4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide, CHLORIDE ION, Hdac6 protein, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6PZR
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BU of 6pzr by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with Resminostat
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, IODIDE ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6Q0Z
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BU of 6q0z by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JS28
分子名称: 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide, Hdac6 protein, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-02
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6PZO
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BU of 6pzo by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with YX-153
分子名称: Hdac6 protein, N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6PZU
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BU of 6pzu by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with AP-1-62-A
分子名称: Hdac6 protein, N-[(benzyloxy)carbonyl]-L-leucyl-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-L-alaninamide, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
8EUN
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BU of 8eun by Molmil
MicroED structure of an Aeropyrum pernix protoglobin metallo-carbene complex
分子名称: Protogloblin ApPgb, benzyl[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron
著者Danelius, E, Gonen, T, Unge, J.T.
登録日2022-10-19
公開日2023-04-05
最終更新日2024-05-22
実験手法ELECTRON CRYSTALLOGRAPHY (2.5 Å)
主引用文献MicroED Structure of a Protoglobin Reactive Carbene Intermediate.
J.Am.Chem.Soc., 145, 2023
6VNQ
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BU of 6vnq by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Bishydroxamic Acid Based Inhibitor
分子名称: 1,2-ETHANEDIOL, N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide, PHOSPHATE ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2020-01-29
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Design and Synthesis of Dihydroxamic Acids as HDAC6/8/10 Inhibitors.
Chemmedchem, 15, 2020
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