5CVW
| CRYSTAL STRUCTURE OF RTX DOMAIN BLOCK V OF ADENYLATE CYCLASE TOXIN FROM BORDETELLA PERTUSSIS | 分子名称: | 1,2-ETHANEDIOL, Bifunctional hemolysin/adenylate cyclase, CALCIUM ION, ... | 著者 | Motlova, L, Barinka, C, Bumba, L. | 登録日 | 2015-07-27 | 公開日 | 2015-09-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Calcium-Driven Folding of RTX Domain beta-Rolls Ratchets Translocation of RTX Proteins through Type I Secretion Ducts. Mol.Cell, 62, 2016
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5CXL
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5O5R
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1023 | 分子名称: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{R})-2-[[(2~{R})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Motlova, L, Novakova, Z, Barinka, C. | 登録日 | 2017-06-02 | 公開日 | 2018-06-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1023 To Be Published
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8BOW
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor 617 | 分子名称: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-11-en-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Motlova, L, Barinka, C, Benesova, M. | 登録日 | 2022-11-15 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor 617 To Be Published
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8BOL
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P18 | 分子名称: | (2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Motlova, L, Barinka, C, Benesova, M. | 登録日 | 2022-11-15 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P18 To Be Published
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8BO8
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P17 | 分子名称: | (2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Motlova, L, Barinka, C, Benesova, M. | 登録日 | 2022-11-15 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P17 To Be Published
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6SUS
| Crystal structure of RTX domain blocks IV and V of adenylate cyclase toxin from Bordetella pertussis | 分子名称: | 1,2-ETHANEDIOL, Bifunctional hemolysin/adenylate cyclase, CALCIUM ION, ... | 著者 | Motlova, L, Barinka, C, Bumba, L. | 登録日 | 2019-09-16 | 公開日 | 2020-09-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Continuous Assembly of beta-Roll Structures Is Implicated in the Type I-Dependent Secretion of Large Repeat-in-Toxins (RTX) Proteins. J.Mol.Biol., 432, 2020
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6RTI
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with aptamer A9g | 分子名称: | (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Motlova, L, Kolenko, P, Barinka, C. | 登録日 | 2019-05-24 | 公開日 | 2020-06-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural basis of prostate-specific membrane antigen recognition by the A9g RNA aptamer. Nucleic Acids Res., 48, 2020
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6SKH
| X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor sulfamide inhibitor GluAsp | 分子名称: | (2~{S})-2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Motlova, L, Novakova, Z, Barinka, C. | 登録日 | 2019-08-15 | 公開日 | 2020-08-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors. J.Chem.Inf.Model., 2024
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6H7Y
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 1-79-1 | 分子名称: | (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Motlova, L, Novakova, Z, Barinka, C. | 登録日 | 2018-07-31 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
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6HKZ
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-49-1 | 分子名称: | (2~{S})-2-[[(2~{S})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Motlova, L, Novakova, Z, Barinka, C. | 登録日 | 2018-09-09 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
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6HKJ
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-19-1 | 分子名称: | (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Motlova, L, Novakova, Z, Barinka, C. | 登録日 | 2018-09-06 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
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6H7Z
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-65-1 | 分子名称: | (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Motlova, L, Novakova, Z, Barinka, C. | 登録日 | 2018-07-31 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
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6EZ9
| X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor JHU3372 | 分子名称: | (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Barinka, C, Novakova, Z, Motlova, L. | 登録日 | 2017-11-14 | 公開日 | 2018-12-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors. Bioorg.Med.Chem., 27, 2019
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6ETY
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor JHU3371 | 分子名称: | (2~{S})-2-[[(2~{R})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Barinka, C, Novakova, Z, Motlova, L. | 登録日 | 2017-10-27 | 公開日 | 2018-11-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors. Bioorg.Med.Chem., 27, 2019
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6F5L
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor JHU2379 | 分子名称: | (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Barinka, C, Novakova, Z, Motlova, L. | 登録日 | 2017-12-01 | 公開日 | 2018-12-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors. Bioorg.Med.Chem., 27, 2019
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6FE5
| X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor JHU 2249 | 分子名称: | (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Barinka, C, Novakova, Z, Motlova, L. | 登録日 | 2017-12-29 | 公開日 | 2019-01-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors. Bioorg.Med.Chem., 27, 2019
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8BJK
| X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor CPD11352 | 分子名称: | Histone deacetylase 6, POTASSIUM ION, ZINC ION, ... | 著者 | Barinka, C, Motlova, L, Pavlicek, J. | 登録日 | 2022-11-04 | 公開日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Comprehensive Mechanistic View of the Hydrolysis of Oxadiazole-Based Inhibitors by Histone Deacetylase 6 (HDAC6). Acs Chem.Biol., 18, 2023
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5O5T
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1007 | 分子名称: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{S})-2-[[(2~{S})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Barinka, C, Novakova, Z, Motlova, L. | 登録日 | 2017-06-02 | 公開日 | 2018-06-13 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1007 To Be Published
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5O5U
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1027 | 分子名称: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{S})-2-[[(2~{R})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-3-sulfo-propanoyl]amino]-3-sulfo-propanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Novakova, Z, Barinka, C, Motlova, L. | 登録日 | 2017-06-02 | 公開日 | 2018-06-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1027 To Be Published
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5OF0
| X-ray structure of human glutamate carboxypeptidase II (GCPII), the E424M inactive mutant, in complex with a inhibitor CFBzOG | 分子名称: | (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Novakova, Z, Motlova, L, Barinka, C. | 登録日 | 2017-07-10 | 公開日 | 2018-08-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett, 9, 2018
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6SGP
| X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a sulfamide inhibitor GluGlu | 分子名称: | (2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Barinka, C, Shukla, S, Motlova, L. | 登録日 | 2019-08-05 | 公開日 | 2020-08-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors. J.Chem.Inf.Model., 2024
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6THV
| X-ray structure of the Danio rerio histone deacetylase 6 (HDAC6; catalytic domain 2) in complex with Tubastatin A | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide, DI(HYDROXYETHYL)ETHER, ... | 著者 | Barinka, C, Motlova, L, Svoboda, M. | 登録日 | 2019-11-21 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Structural and in Vivo Characterization of Tubastatin A, a Widely Used Histone Deacetylase 6 Inhibitor. Acs Med.Chem.Lett., 11, 2020
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7BFZ
| X-ray structure of human prostate-specific membrane antigen(PSMA) in complex with a inhibitor Glu-490 | 分子名称: | (((S)-1-carboxy-5-((E)-2-cyano-3-(5-(1-(3-methoxy-3-oxopropyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophen-2-yl)acrylamido)pentyl)carbamoyl)-L-glutamic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Rakhimbekova, A, Motlova, L, Barinka, C. | 登録日 | 2021-01-05 | 公開日 | 2021-08-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | A prostate-specific membrane antigen activated molecular rotor for real-time fluorescence imaging. Nat Commun, 12, 2021
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6ZW1
| X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor SW101 | 分子名称: | 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide, GLYCEROL, Histone deacetylase 6, ... | 著者 | Barinka, C, Motlova, L, Ustinova, K. | 登録日 | 2020-07-27 | 公開日 | 2021-08-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Tetrahydroquinoline-Capped Histone Deacetylase 6 Inhibitor SW-101 Ameliorates Pathological Phenotypes in a Charcot-Marie-Tooth Type 2A Mouse Model. J.Med.Chem., 64, 2021
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