7USG
 
 | | BRD2-BD2 in complex with MDP5 | | 分子名称: | (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ... | | 著者 | Jayasinghe, T.D, Ronning, D.R. | | 登録日 | 2022-04-25 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
|
|
7USJ
 | | BRD4-BD2 in complex with SF2523 | | 分子名称: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4 | | 著者 | Jayasinghe, T.D, Ronning, D.R. | | 登録日 | 2022-04-25 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
|
|
7USI
 | | BRD2-BD1 in complex with MDP5 | | 分子名称: | (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ... | | 著者 | Jayasinghe, T.D, Ronning, D.R. | | 登録日 | 2022-04-25 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
|
|
7UVD
 | | Sco GlgEI-V279S in complex with cyclohexyl carbasugar | | 分子名称: | (1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER | | 著者 | Jayasinghe, T.D, Ronning, D.R. | | 登録日 | 2022-04-30 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Sco GlgEI-V279S in complex with cyclohexyl carbasugar
To Be Published
|
|
2VJV
 | | Crystal structure of the IS608 transposase in complex with left end 26-mer DNA hairpin and a 6-mer DNA representing the left end cleavage site | | 分子名称: | 5'-D(*DA*DA*DA*DG*DC*DC*DC*DC*DT*DA*DG*DC*DTP*DT *DT*DT*DA*DG*DC*DT*DA*DT*DG*DG*DG*DGP)-3', 5'-D(*DT*DA*DT*DT*DA*DCP)-3', MAGNESIUM ION, ... | | 著者 | Barabas, O, Ronning, D.R, Guynet, C, Hickman, A.B, Ton-Hoang, B, Chandler, M, Dyda, F. | | 登録日 | 2007-12-13 | | 公開日 | 2008-02-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Mechanism of is200/is605 Family DNA Transposases: Activation and Transposon-Directed Target Site Selection.
Cell(Cambridge,Mass.), 132, 2008
|
|
2VJU
 | | Crystal structure of the IS608 transposase in complex with the complete Right end 35-mer DNA and manganese | | 分子名称: | MANGANESE (II) ION, RIGHT END 35-MER, TRANSPOSASE ORFA | | 著者 | Barabas, O, Ronning, D.R, Guynet, C, Hickman, A.B, Ton-Hoang, B, Chandler, M, Dyda, F. | | 登録日 | 2007-12-13 | | 公開日 | 2008-02-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Mechanism of is200/is605 Family DNA Transposases: Activation and Transposon-Directed Target Site Selection.
Cell(Cambridge,Mass.), 132, 2008
|
|
2VIC
 | | CRYSTAL STRUCTURE OF THE ISHP608 TRANSPOSASE IN COMPLEX with Left end 26- mer DNA and manganese | | 分子名称: | 5'-D(*AP*AP*AP*GP*CP*CP*CP*CP*TP*AP *GP*CP*TP*TP*TP*TP*AP*GP*CP*TP*AP*TP*GP*GP*GP*G)-3', MANGANESE (II) ION, TRANSPOSASE ORFA | | 著者 | Barabas, O, Ronning, D.R, Guynet, C, Hickman, A.B, Ton-Hoang, B, Chandler, M, Dyda, F. | | 登録日 | 2007-11-29 | | 公開日 | 2008-02-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Mechanism of is200/is605 Family DNA Transposases: Activation and Transposon-Directed Target Site Selection.
Cell(Cambridge,Mass.), 132, 2008
|
|
2VIH
 | | CRYSTAL STRUCTURE OF THE IS608 TRANSPOSASE IN COMPLEX WITH Left END 26-MER DNA | | 分子名称: | 5'-D(*AP*AP*AP*GP*CP*CP*CP*CP*TP*AP *GP*CP*TP*TP*TP*TP*AP*GP*CP*TP*AP*TP*GP*GP*GP*G)-3', TRANSPOSASE ORFA | | 著者 | Barabas, O, Ronning, D.R, Guynet, C, Hickman, A.B, Ton-Hoang, B, Chandler, M, Dyda, F. | | 登録日 | 2007-12-04 | | 公開日 | 2008-02-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Mechanism of is200/is605 Family DNA Transposases: Activation and Transposon-Directed Target Site Selection.
Cell(Cambridge,Mass.), 132, 2008
|
|
2VHG
 | | Crystal Structure of the ISHp608 Transposase in Complex with Right End 31-mer DNA | | 分子名称: | MANGANESE (II) ION, RIGHT END 31-MER, TRANSPOSASE ORFA | | 著者 | Barabas, O, Ronning, D.R, Guynet, C, Hickman, A.B, Ton-Hoang, B, Chandler, M, Dyda, F. | | 登録日 | 2007-11-21 | | 公開日 | 2008-02-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Mechanism of is200/is605 Family DNA Transposases: Activation and Transposon-Directed Target Site Selection.
Cell(Cambridge,Mass.), 132, 2008
|
|
5JPC
 | | Joint X-ray/neutron structure of MTAN complex with Formycin A | | 分子名称: | (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, Aminodeoxyfutalosine nucleosidase | | 著者 | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | | 登録日 | 2016-05-03 | | 公開日 | 2016-11-16 | | 最終更新日 | 2024-03-06 | | 実験手法 | NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
5KB3
 | |
5K1Z
 | | Joint X-ray/neutron structure of MTAN complex with p-ClPh-Thio-DADMe-ImmA | | 分子名称: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase | | 著者 | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | | 登録日 | 2016-05-18 | | 公開日 | 2016-11-16 | | 最終更新日 | 2024-03-06 | | 実験手法 | NEUTRON DIFFRACTION (2.6 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
5KWJ
 | | M.tb Ag85C modified at C209 by amino-ebselen | | 分子名称: | Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ~{N}-(4-aminophenyl)-2-selanyl-benzamide | | 著者 | Goins, C.M, Ronning, D.R. | | 登録日 | 2016-07-18 | | 公開日 | 2017-03-29 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives.
ACS Infect Dis, 3, 2017
|
|
5KWI
 | | M.tb Ag85C modified at C209 by adamantyl-ebselen | | 分子名称: | Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ~{N}-(1-adamantyl)-2-selanyl-benzamide | | 著者 | Goins, C.M, Ronning, D.R. | | 登録日 | 2016-07-18 | | 公開日 | 2017-03-29 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives.
ACS Infect Dis, 3, 2017
|
|
1RZ9
 | | Crystal Structure of AAV Rep complexed with the Rep-binding sequence | | 分子名称: | 26-MER, Rep protein | | 著者 | Hickman, A.B, Ronning, D.R, Perez, Z.N, Kotin, R.M, Dyda, F. | | 登録日 | 2003-12-24 | | 公開日 | 2004-02-17 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | The nuclease domain of adeno-associated virus rep coordinates replication initiation using two distinct DNA recognition interfaces.
Mol.Cell, 13, 2004
|
|
8FX9
 | |
8FFF
 | |
5W95
 | | Mtb Rv3802c with PEG bound | | 分子名称: | Conserved membrane protein of uncharacterised function, PENTAETHYLENE GLYCOL | | 著者 | Goins, C.M, Schreidah, C.M, Ronning, D.R. | | 登録日 | 2017-06-22 | | 公開日 | 2017-12-27 | | 最終更新日 | 2019-12-11 | | 実験手法 | X-RAY DIFFRACTION (1.723 Å) | | 主引用文献 | Structural basis for lipid binding and mechanism of the Mycobacterium tuberculosis Rv3802 phospholipase.
J. Biol. Chem., 293, 2018
|
|
7SEX
 | | M. tb EgtD in complex with TGX221 | | 分子名称: | 7-methyl-2-morpholin-4-yl-9-[(1~{R})-1-phenylazanylethyl]-3~{H}-pyrido[1,2-a]pyrimidin-4-one, GLYCEROL, Histidine N-alpha-methyltransferase | | 著者 | Sudasinghe, T.D, Ronning, D.R. | | 登録日 | 2021-10-02 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
|
|
7SF5
 | | M. tb EgtD in complex with HD3 | | 分子名称: | Histidine N-alpha-methyltransferase, N-(benzylcarbamothioyl)-L-histidine | | 著者 | Sudasinghe, T.D, Ronning, D.R. | | 登録日 | 2021-10-03 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
|
|
7SF4
 | | M. tb EgtD in complex with imatinib | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-4-PYRIDYL-PYRIMIDINE, GLYCEROL, ... | | 著者 | Sudasinghe, T.D, Ronning, D.R. | | 登録日 | 2021-10-03 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
|
|
7SCF
 | | M. tb EgtD in complex with HD2 | | 分子名称: | (2S)-3-(1H-imidazol-5-yl)-2-(1H-pyrrol-1-yl)propanoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Sudasinghe, T.D, Ronning, D.R. | | 登録日 | 2021-09-28 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
|
|
7SEY
 | | M. tb EgtD in complex with SGH | | 分子名称: | 2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one, Histidine N-alpha-methyltransferase | | 著者 | Sudasinghe, T.D, Ronning, D.R. | | 登録日 | 2021-10-02 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
|
|
7SEW
 | | M. tb EgtD in complex with HD6 | | 分子名称: | 1,3-PROPANDIOL, GLYCEROL, Histidine N-alpha-methyltransferase, ... | | 著者 | Sudasinghe, T.D, Ronning, D.R. | | 登録日 | 2021-10-02 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
|
|
7RYT
 | |
