5UHO
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![BU of 5uho by Molmil](/molmil-images/mine/5uho) | |
5UHL
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![BU of 5uhl by Molmil](/molmil-images/mine/5uhl) | Crystal structure of the core catalytic domain of human O-GlcNAcase complexed with Thiamet G | Descriptor: | (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 | Authors: | Klein, D.J, Elsen, N.L. | Deposit date: | 2017-01-11 | Release date: | 2017-03-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | 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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![BU of 3ca7 by Molmil](/molmil-images/mine/3ca7) | |
4GSX
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![BU of 4gsx by Molmil](/molmil-images/mine/4gsx) | High resolution structure of dengue virus serotype 1 sE containing stem | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CHLORIDE ION, ... | Authors: | Klein, D.E, Choi, J.L, Harrison, S.C. | Deposit date: | 2012-08-28 | Release date: | 2012-12-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | Structure of a dengue virus envelope protein late-stage fusion intermediate. J.Virol., 87, 2013
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2GCS
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![BU of 2gcs by Molmil](/molmil-images/mine/2gcs) | |
2GCV
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![BU of 2gcv by Molmil](/molmil-images/mine/2gcv) | |
2H0X
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2H0S
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4GT0
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![BU of 4gt0 by Molmil](/molmil-images/mine/4gt0) | Structure of dengue virus serotype 1 sE containing stem to residue 421 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CHLORIDE ION, ... | Authors: | Klein, D.E, Choi, J.L, Harrison, S.C. | Deposit date: | 2012-08-28 | Release date: | 2012-12-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structure of a dengue virus envelope protein late-stage fusion intermediate. J.Virol., 87, 2013
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2H0W
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![BU of 2h0w by Molmil](/molmil-images/mine/2h0w) | |
2HO6
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7LTG
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![BU of 7ltg by Molmil](/molmil-images/mine/7ltg) | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH APICIDIN | Descriptor: | (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, ... | Authors: | Klein, D.J, Beshore, D.C. | Deposit date: | 2021-02-19 | Release date: | 2021-05-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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
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![BU of 1dsv by Molmil](/molmil-images/mine/1dsv) | STRUCTURE OF THE MMTV NUCLEOCAPSID PROTEIN (C-TERMINAL ZINC FINGER) | Descriptor: | NUCLEIC ACID BINDING PROTEIN P14, ZINC ION | Authors: | Klein, D.J, Johnson, P.E, Zollars, E.S, De Guzman, R.N, Summers, M.F. | Deposit date: | 2000-01-08 | Release date: | 2000-01-28 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | 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
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![BU of 1dsq by Molmil](/molmil-images/mine/1dsq) | STRUCTURE OF THE MMTV NUCLEOCAPSID PROTEIN (ZINC FINGER 1) | Descriptor: | NUCLEIC ACID BINDING PROTEIN P14, ZINC ION | Authors: | Klein, D.J, Johnson, P.E, Zollars, E.S, De Guzman, R.N, Summers, M.F. | Deposit date: | 2000-01-08 | Release date: | 2000-01-28 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | 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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![BU of 7kbg by Molmil](/molmil-images/mine/7kbg) | |
3CGU
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7JS8
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![BU of 7js8 by Molmil](/molmil-images/mine/7js8) | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ETHYL KETONE INHIBITOR CONTAINING A SPIRO-BICYCLIC GROUP (COMPOUND 22) | Descriptor: | (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, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2020-08-14 | Release date: | 2021-08-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.634 Å) | Cite: | 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
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![BU of 7moy by Molmil](/molmil-images/mine/7moy) | Structure of HDAC2 in complex with an inhibitor (compound 19) | Descriptor: | (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, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2021-05-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | 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
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![BU of 7mot by Molmil](/molmil-images/mine/7mot) | Structure of HDAC2 in complex with an inhibitor (compound 9) | Descriptor: | 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2021-05-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
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