5UHO
 
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5UHL
 | | Crystal structure of the core catalytic domain of human O-GlcNAcase complexed with Thiamet G | | 分子名称: | (2Z,3aR,5R,6S,7R,7aR)-2-(ethylimino)-5-(hydroxymethyl)hexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain | | 著者 | Klein, D.J, Elsen, N.L. | | 登録日 | 2017-01-11 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | | 主引用文献 | Crystal structure of the core catalytic domain of human O-GlcNAcase and molecular basis of activity and inhibition
To Be Published
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2HO7
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2H0Z
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3CA7
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4GSX
 | | High resolution structure of dengue virus serotype 1 sE containing stem | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CHLORIDE ION, ... | | 著者 | Klein, D.E, Choi, J.L, Harrison, S.C. | | 登録日 | 2012-08-28 | | 公開日 | 2012-12-19 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.903 Å) | | 主引用文献 | Structure of a dengue virus envelope protein late-stage fusion intermediate.
J.Virol., 87, 2013
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2GCS
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2GCV
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2H0X
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2H0S
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4GT0
 | | Structure of dengue virus serotype 1 sE containing stem to residue 421 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CHLORIDE ION, ... | | 著者 | Klein, D.E, Choi, J.L, Harrison, S.C. | | 登録日 | 2012-08-28 | | 公開日 | 2012-12-19 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Structure of a dengue virus envelope protein late-stage fusion intermediate.
J.Virol., 87, 2013
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2H0W
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2HO6
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7LTG
 | | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH APICIDIN | | 分子名称: | (3S,6S,9S,15aR)-9-[(2S)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1H-indol-3-yl)methyl]octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Klein, D.J, Beshore, D.C. | | 登録日 | 2021-02-19 | | 公開日 | 2021-05-05 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Redefining the Histone Deacetylase Inhibitor Pharmacophore: High Potency with No Zinc Cofactor Interaction.
Acs Med.Chem.Lett., 12, 2021
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7LTK
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7LTL
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1DSV
 | | STRUCTURE OF THE MMTV NUCLEOCAPSID PROTEIN (C-TERMINAL ZINC FINGER) | | 分子名称: | NUCLEIC ACID BINDING PROTEIN P14, ZINC ION | | 著者 | Klein, D.J, Johnson, P.E, Zollars, E.S, De Guzman, R.N, Summers, M.F. | | 登録日 | 2000-01-08 | | 公開日 | 2000-01-28 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The NMR structure of the nucleocapsid protein from the mouse mammary tumor virus reveals unusual folding of the C-terminal zinc knuckle.
Biochemistry, 39, 2000
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1DSQ
 | | STRUCTURE OF THE MMTV NUCLEOCAPSID PROTEIN (ZINC FINGER 1) | | 分子名称: | NUCLEIC ACID BINDING PROTEIN P14, ZINC ION | | 著者 | Klein, D.J, Johnson, P.E, Zollars, E.S, De Guzman, R.N, Summers, M.F. | | 登録日 | 2000-01-08 | | 公開日 | 2000-01-28 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The NMR structure of the nucleocapsid protein from the mouse mammary tumor virus reveals unusual folding of the C-terminal zinc knuckle.
Biochemistry, 39, 2000
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3FU2
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7KBH
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7KBG
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3CGU
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7JS8
 | | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ETHYL KETONE INHIBITOR CONTAINING A SPIRO-BICYCLIC GROUP (COMPOUND 22) | | 分子名称: | (1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Klein, D.J, Yu, W. | | 登録日 | 2020-08-14 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.634 Å) | | 主引用文献 | Discovery of Ethyl Ketone-Based Highly Selective HDACs 1, 2, 3 Inhibitors for HIV Latency Reactivation with Minimum Cellular Potency Serum Shift and Reduced hERG Activity.
J.Med.Chem., 64, 2021
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7MOY
 | | Structure of HDAC2 in complex with an inhibitor (compound 19) | | 分子名称: | (1S)-6-ethyl-N-{(1S)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Klein, D.J, Yu, W. | | 登録日 | 2021-05-03 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 47, 2021
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7MOT
 | | Structure of HDAC2 in complex with an inhibitor (compound 9) | | 分子名称: | 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Klein, D.J, Yu, W. | | 登録日 | 2021-05-03 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 47, 2021
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