8I5Q
 
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8I5S
 | | Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with 2-deoxy-2-fluoroglucoside | | 分子名称: | 1,2-ETHANEDIOL, 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside, 2-deoxy-2-fluoro-alpha-D-glucopyranose, ... | | 著者 | Pengthaisong, S, Ketudat Cairns, J.R. | | 登録日 | 2023-01-26 | | 公開日 | 2023-05-03 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
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8I5T
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8I5R
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8I5U
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7DKT
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7DKX
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7DKU
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7DKV
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7DKW
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7DKS
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7DKY
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6WIG
 | | Structure of STENOFOLIA Protein HD domain bound with DNA | | 分子名称: | DNA (5'-D(P*CP*TP*TP*GP*AP*AP*TP*AP*AP*AP*TP*CP*AP*TP*TP*AP*AP*TP*TP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*AP*AP*TP*TP*AP*AP*TP*GP*AP*TP*TP*TP*AP*TP*TP*CP*AP*AP*G)-3'), STENOFOLIA | | 著者 | Deng, J, Peng, S, Pathak, P. | | 登録日 | 2020-04-09 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure of the unique tetrameric STENOFOLIA homeodomain bound with target promoter DNA.
Acta Crystallogr D Struct Biol, 77, 2021
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6BR8
 | | Structure of A6 reveals a novel lipid transporter | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Protein A6 homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | | 著者 | Deng, J, Peng, S, Pathak, P. | | 登録日 | 2017-11-30 | | 公開日 | 2018-06-20 | | 最終更新日 | 2019-12-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6BR9
 | | Structure of A6 reveals a novel lipid transporter | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Protein A6 homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | | 著者 | Deng, J, Peng, S, Pathak, P. | | 登録日 | 2017-11-30 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5UC4
 | | Hsp90b N-terminal domain with inhibitors | | 分子名称: | 5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Deng, J, Peng, S, Balch, M, Matts, R. | | 登録日 | 2016-12-21 | | 公開日 | 2018-01-17 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
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7LSZ
 | | Hsp90a N-terminal inhibitor | | 分子名称: | Heat shock protein HSP 90-alpha, {3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2H-isoindol-2-yl)methanone | | 著者 | Balch, M, Peng, S, Deng, J, Matts, R. | | 登録日 | 2021-02-18 | | 公開日 | 2021-03-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Selective Inhibition of the Hsp90 alpha Isoform.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7LT0
 | | Hsp90a N-terminal inhibitor | | 分子名称: | (1,3-dihydro-2H-isoindol-2-yl){3-[(3,4-dimethylphenyl)sulfanyl]-4-hydroxyphenyl}methanone, Heat shock protein HSP 90-alpha | | 著者 | Balch, M, Peng, S, Deng, J, Matts, R. | | 登録日 | 2021-02-18 | | 公開日 | 2021-03-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.697 Å) | | 主引用文献 | Selective Inhibition of the Hsp90 alpha Isoform.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6CJ7
 | | Crystal structure of Manduca sexta Serine protease inhibitor (Serpin)-12 | | 分子名称: | Serpin-12 | | 著者 | Gulati, M, Hu, Y, Peng, S, Pathak, P.K, Wang, Y, Deng, J, Jiang, H. | | 登録日 | 2018-02-26 | | 公開日 | 2018-07-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Manduca sexta serpin-12 controls the prophenoloxidase activation system in larval hemolymph.
Insect Biochem. Mol. Biol., 99, 2018
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6AEJ
 | | Crystal structure of human FTO in complex with small-molecule inhibitors | | 分子名称: | (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | | 著者 | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | | 登録日 | 2018-08-05 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
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6AK4
 | | Crystal structure of human FTO in complex with small-molecule inhibitors | | 分子名称: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | | 著者 | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | | 登録日 | 2018-08-30 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
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7UR3
 | | Hsp90 alpha inhibitor | | 分子名称: | (5-fluoro-1,3-dihydro-2H-isoindol-2-yl){4-hydroxy-3-[(2S)-2-hydroxy-5-phenylpentan-2-yl]phenyl}methanone, Heat shock protein HSP 90-alpha | | 著者 | Deng, J, Peng, S, Balch, M, Matts, R. | | 登録日 | 2022-04-21 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure-Activity Relationship Study of Tertiary Alcohol Hsp90 alpha-Selective Inhibitors with Novel Binding Mode.
Acs Med.Chem.Lett., 13, 2022
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7U8U
 | | hTRAP1 with inhibitors | | 分子名称: | Heat shock protein 75 kDa, mitochondrial, [2-hydroxy-5-(2H-isoindole-2-carbonyl)phenyl]{5-[3-(triphenyl-lambda~5~-phosphanyl)propoxy]-2H-isoindol-2-yl}methanone | | 著者 | Deng, J, Matts, R, Peng, S. | | 登録日 | 2022-03-09 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (3.065 Å) | | 主引用文献 | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes.
Eur.J.Med.Chem., 258, 2023
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7U8W
 | | hTRAP1 with inhibitors | | 分子名称: | Heat shock protein 75 kDa, mitochondrial, [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-fluoro-2H-isoindol-2-yl)methanone | | 著者 | Deng, J, Matts, R, Peng, S. | | 登録日 | 2022-03-09 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.706 Å) | | 主引用文献 | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes.
Eur.J.Med.Chem., 258, 2023
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7U8X
 | | hTRAP1 with inhibitors | | 分子名称: | Heat shock protein 75 kDa, mitochondrial, [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-methoxy-2H-isoindol-2-yl)methanone | | 著者 | Deng, J, Matts, R, Peng, S. | | 登録日 | 2022-03-09 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes.
Eur.J.Med.Chem., 258, 2023
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