6KD9
 
 | | Binding pose 1 of 2-CF3 bound AsqJ complex | | Descriptor: | (3~{Z})-4-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-1~{H}-1,4-benzodiazepine-2,5-dione, FE (III) ION, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, ... | | Authors: | Liao, H.J, Chan, N.L. | | Deposit date: | 2019-07-01 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Binding pose 1 of 2-CF3 bound AsqJ complex
J.Am.Chem.Soc., 2020
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6JZM
 | | The intermediate forming O-C10 bond formation in AsqJ-catalyzed epoxidation | | Descriptor: | (3~{R},3'~{S})-4-methyl-3'-phenyl-spiro[1~{H}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione, FE (III) ION, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, ... | | Authors: | Liao, H.J, Chan, N.L. | | Deposit date: | 2019-05-02 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | The intermediate forming O-C10 bond formation in AsqJ-catalyzed epoxidation
J.Am.Chem.Soc., 2020
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6K30
 | | Binding pose 2 of 2-CF3 bound AsqJ complex | | Descriptor: | (3~{Z})-4-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-1~{H}-1,4-benzodiazepine-2,5-dione, FE (III) ION, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, ... | | Authors: | Liao, H.J, Chan, N.L. | | Deposit date: | 2019-05-15 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.684 Å) | | Cite: | Binding pose 2 of 2-CF3 bound AsqJ complex
J.Am.Chem.Soc., 2020
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6K0F
 | | The crystal structure of cyclopenin-bound AsqJ quinary complex | | Descriptor: | (3~{R},3'~{S})-4-methyl-3'-phenyl-spiro[1~{H}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione, 2-OXOGLUTARIC ACID, FE (III) ION, ... | | Authors: | Liao, H.J, Chan, N.L. | | Deposit date: | 2019-05-06 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.634 Å) | | Cite: | The crystal structure of cyclopenin-bound AsqJ quinary complex
J.Am.Chem.Soc., 2020
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6L6E
 | | Human PDE5 catalytic core in complex with avanafil | | Descriptor: | 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimid ine-5-carboxamide, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Hsieh, C.M, Chan, N.L. | | Deposit date: | 2019-10-28 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structure of Human Phosphodiesterase 5A1 Complexed with Avanafil Reveals Molecular Basis of Isoform Selectivity and Guidelines for Targeting alpha-Helix Backbone Oxygen by Halogen Bonding.
J.Med.Chem., 63, 2020
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4G0W
 | | Human topoisomerase iibeta in complex with DNA and ametantrone | | Descriptor: | 1,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione, DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), ... | | Authors: | Wu, C.C, Li, T.K, Li, Y.C, Chan, N.L. | | Deposit date: | 2012-07-10 | | Release date: | 2013-07-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.696 Å) | | Cite: | On the structural basis and design guidelines for type II topoisomerase-targeting anticancer drugs
Nucleic Acids Res., 41, 2013
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4G0U
 | | Human topoisomerase IIbeta in complex with DNA and amsacrine | | Descriptor: | DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), DNA topoisomerase 2-beta, ... | | Authors: | Wu, C.C, Li, T.K, Li, Y.C, Chan, N.L. | | Deposit date: | 2012-07-10 | | Release date: | 2013-07-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | On the structural basis and design guidelines for type II topoisomerase-targeting anticancer drugs
Nucleic Acids Res., 41, 2013
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4G0V
 | | Human topoisomerase iibeta in complex with DNA and mitoxantrone | | Descriptor: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), ... | | Authors: | Wu, C.C, Li, T.K, Li, Y.C, Chan, N.L. | | Deposit date: | 2012-07-10 | | Release date: | 2013-07-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.548 Å) | | Cite: | On the structural basis and design guidelines for type II topoisomerase-targeting anticancer drugs
Nucleic Acids Res., 41, 2013
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4J3N
 | | Human Topoisomerase Iibeta in complex with DNA | | Descriptor: | DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), DNA topoisomerase 2-beta, ... | | Authors: | Wu, C.C, Li, T.K, Li, Y.C, Chan, N.L. | | Deposit date: | 2013-02-06 | | Release date: | 2013-10-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | On the structural basis and design guidelines for type II topoisomerase-targeting anticancer drugs
Nucleic Acids Res., 41, 2013
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