4PKV
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4PKQ
| Anthrax toxin lethal factor with bound zinc | 分子名称: | 1,2-ETHANEDIOL, Lethal factor, TRIETHYLENE GLYCOL, ... | 著者 | Maize, K.M, Finzel, B.C. | 登録日 | 2014-05-15 | 公開日 | 2014-11-12 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding. Acta Crystallogr.,Sect.D, 70, 2014
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4PKT
| Anthrax toxin lethal factor with bound small molecule inhibitor 13 | 分子名称: | Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(4-nitrobenzyl)-D-alaninamide, ZINC ION | 著者 | Maize, K.M, De la Mora, T, Finzel, B.C. | 登録日 | 2014-05-15 | 公開日 | 2014-11-12 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding. Acta Crystallogr.,Sect.D, 70, 2014
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7RNE
| Crystal structure of caspase-3 with inhibitor Ac-YKPVD-CHO | 分子名称: | Ac-YKPVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | 著者 | McCue, W, Finzel, B.C. | 登録日 | 2021-07-29 | 公開日 | 2022-01-05 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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7RNF
| Crystal structure of caspase-3 with inhibitor Ac-VDKVD-CHO | 分子名称: | Ac-VDKVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | 著者 | McCue, W, Finzel, B.C. | 登録日 | 2021-07-29 | 公開日 | 2022-01-05 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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7RM9
| Human Malate Dehydrogenase I (MDHI) | 分子名称: | MALONATE ION, Malate dehydrogenase, cytoplasmic | 著者 | McCue, W, Finzel, B.C. | 登録日 | 2021-07-27 | 公開日 | 2022-01-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural Characterization of the Human Cytosolic Malate Dehydrogenase I. Acs Omega, 7, 2022
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7RN7
| Crystal structure of caspase-3 with inhibitor Ac-VD(Aly)VD-CHO | 分子名称: | Ac-VD(Aly)VD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | 著者 | McCue, W, Finzel, B.C. | 登録日 | 2021-07-29 | 公開日 | 2022-01-05 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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7RN9
| Crystal structure of caspase-3 with inhibitor Ac-VDFVD-CHO | 分子名称: | Ac-VDFVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | 著者 | McCue, W, Finzel, B.C. | 登録日 | 2021-07-29 | 公開日 | 2022-01-05 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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7RNB
| Crystal structure of caspase-3 with inhibitor Ac-VDRVD-CHO | 分子名称: | Ac-VDRVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | 著者 | McCue, W, Finzel, B.C. | 登録日 | 2021-07-29 | 公開日 | 2022-01-05 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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7RND
| Crystal structure of caspase-3 with inhibitor Ac-VDPVD-CHO | 分子名称: | Ac-VDPVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | 著者 | McCue, W, Finzel, B.C. | 登録日 | 2021-07-29 | 公開日 | 2022-01-05 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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7RNA
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7RNG
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4WF6
| Anthrax toxin lethal factor with bound small molecule inhibitor MK-31 | 分子名称: | 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ... | 著者 | Maize, K.M, De la Mora-Rey, T, Finzel, B.C. | 登録日 | 2014-09-12 | 公開日 | 2015-09-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.6521 Å) | 主引用文献 | Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates. J.Med.Chem., 58, 2015
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4WYD
| Adenosylmethionine-8-amino-7-oxononanoate aminotransferase from Mycobacterium tuberculosis complexed with a fragment from DSF screening | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | 著者 | Dai, R, Finzel, B.C, Geders, T.W. | 登録日 | 2014-11-17 | 公開日 | 2015-07-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA. J.Med.Chem., 58, 2015
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4WYG
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis complexed with a fragment hit | 分子名称: | 1,2-ETHANEDIOL, 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Dai, R, Finzel, B.C. | 登録日 | 2014-11-17 | 公開日 | 2015-07-08 | 最終更新日 | 2015-07-22 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA. J.Med.Chem., 58, 2015
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4WYE
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4XTX
| Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 57 with azide in place of ribose 2'OH | 分子名称: | 1,2-ETHANEDIOL, 9-[2-azido-2-deoxy-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine, Bifunctional ligase/repressor BirA | 著者 | De la Mora-Rey, T, Finzel, B.C. | 登録日 | 2015-01-24 | 公開日 | 2015-09-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.30010319 Å) | 主引用文献 | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
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4XTY
| Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 63 with Fluorine in place of 2'OH | 分子名称: | 2',5'-dideoxy-2'-fluoro-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA | 著者 | De la Mora-Rey, T, Finzel, B.C. | 登録日 | 2015-01-24 | 公開日 | 2015-09-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.80002666 Å) | 主引用文献 | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
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4XM8
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4XTW
| Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 46 with azide in place of 2'OH | 分子名称: | 1,2-ETHANEDIOL, 2'-azido-2',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA | 著者 | De la Mora-Rey, T, Finzel, B.C. | 登録日 | 2015-01-24 | 公開日 | 2015-09-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.30014467 Å) | 主引用文献 | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
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4XTZ
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4XM6
| Anthrax toxin lethal factor with ligand-induced binding pocket | 分子名称: | 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide, ... | 著者 | Maize, K.M, De la Mora-Rey, T, Finzel, B.C. | 登録日 | 2015-01-14 | 公開日 | 2015-11-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.352 Å) | 主引用文献 | Ligand-induced expansion of the S1' site in the anthrax toxin lethal factor. Febs Lett., 589, 2015
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4XU2
| Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 87 with a 3'deoxy ribose | 分子名称: | 3',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA | 著者 | De la Mora-Rey, T, Finzel, B.C. | 登録日 | 2015-01-24 | 公開日 | 2015-09-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.8500284 Å) | 主引用文献 | Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
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4XM7
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4XU0
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