4W9Y
 
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4OC1
 | | X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with COIBzL, a urea-based inhibitor (2S)-2-[({(1S)-1-carboxy-2-[(2S)-oxiran-2-yl]ethyl}carbamoyl)amino]-6-[(4-iodobenzoyl)amino]hexanoic acid | | 分子名称: | (2S)-2-[({(1S)-1-carboxy-2-[(2S)-oxiran-2-yl]ethyl}carbamoyl)amino]-6-[(4-iodobenzoyl)amino]hexanoic acid (non-preferred name), 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 | Pavlicek, J, Ptacek, J, Cerny, J, Byun, Y, Skultetyova, L, Pomper, M, Lubkowski, J, Barinka, C. | | 登録日 | 2014-01-08 | | 公開日 | 2014-05-21 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II.
Bioorg.Med.Chem.Lett., 24, 2014
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4OC4
 | | X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CPIBzL, a urea-based inhibitor N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Pavlicek, J, Ptacek, J, Cerny, J, Byun, Y, Skultetyova, L, Pomper, M, Lubkowski, J, Barinka, C. | | 登録日 | 2014-01-08 | | 公開日 | 2014-05-21 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II.
Bioorg.Med.Chem.Lett., 24, 2014
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4OC3
 | | X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CFIBzL, a urea-based inhibitor N~2~-{[(1S)-1-carboxy-2-(furan-2-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Pavlicek, J, Ptacek, J, Cerny, J, Byun, Y, Skultetyova, L, Pomper, M, Lubkowski, J, Barinka, C. | | 登録日 | 2014-01-08 | | 公開日 | 2014-05-21 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II.
Bioorg.Med.Chem.Lett., 24, 2014
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4OC5
 | | X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CHIBzL, a urea-based inhibitor N~2~-{[(S)-carboxy(4-hydroxyphenyl)methyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Pavlicek, J, Ptacek, J, Cerny, J, Byun, Y, Skultetyova, L, Pomper, M, Lubkowski, J, Barinka, C. | | 登録日 | 2014-01-08 | | 公開日 | 2014-05-21 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II.
Bioorg.Med.Chem.Lett., 24, 2014
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4OC0
 | | X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CCIBzL, a urea-based inhibitor N~2~-[(1-carboxycyclopropyl)carbamoyl]-N~6~-(4-iodobenzoyl)-L-lysine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Pavlicek, J, Ptacek, J, Cerny, J, Byun, Y, Skultetyova, L, Pomper, M, Lubkowski, J, Barinka, C. | | 登録日 | 2014-01-08 | | 公開日 | 2014-05-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II.
Bioorg.Med.Chem.Lett., 24, 2014
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4OC2
 | | X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CEIBzL, a urea-based inhibitor N~2~-{[(1S)-1-carboxybut-3-yn-1-yl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Pavlicek, J, Ptacek, J, Cerny, J, Byun, Y, Skultetyova, L, Pomper, M, Lubkowski, J, Barinka, C. | | 登録日 | 2014-01-08 | | 公開日 | 2014-05-21 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II.
Bioorg.Med.Chem.Lett., 24, 2014
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6R0K
 | | X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with a inhibitor SS208 | | 分子名称: | 5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{N}-oxidanyl-1,2-oxazole-3-carboxamide, Histone deacetylase 6, POTASSIUM ION, ... | | 著者 | Barinka, C, Ustinova, K, Motlova, L, Pavlicek, J. | | 登録日 | 2019-03-13 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Discovery of a New Isoxazole-3-hydroxamate-Based Histone Deacetylase 6 Inhibitor SS-208 with Antitumor Activity in Syngeneic Melanoma Mouse Models.
J.Med.Chem., 62, 2019
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7AVC
 | | DoBi scaffold based on PIH1D1 N-terminal domain | | 分子名称: | GLYCEROL, PIH1 domain-containing protein 1, SODIUM ION | | 著者 | Kolenko, P, Pham, N.P, Pavlicek, J, Mikulecky, P, Schneider, B. | | 登録日 | 2020-11-05 | | 公開日 | 2021-02-10 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Protein Binder (ProBi) as a New Class of Structurally Robust Non-Antibody Protein Scaffold for Directed Evolution.
Viruses, 13, 2021
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5ELY
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU242 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{R})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid, ... | | 著者 | Barinka, C, Novakova, Z, Pavlicek, J. | | 登録日 | 2015-11-05 | | 公開日 | 2016-04-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity.
J.Med.Chem., 59, 2016
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5D29
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU241 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{S})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid, ... | | 著者 | Barinka, C, Novakova, Z, Pavlicek, J. | | 登録日 | 2015-08-05 | | 公開日 | 2016-04-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity.
J.Med.Chem., 59, 2016
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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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