4INI
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![BU of 4ini by Molmil](/molmil-images/mine/4ini) | Human Histidine Triad Nucleotide Binding Protein 2 with Bound AMP | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | 著者 | Maize, K.M, Wagner, C.R, Finzel, B.C. | 登録日 | 2013-01-04 | 公開日 | 2013-05-22 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural characterization of human histidine triad nucleotide-binding protein 2, a member of the histidine triad superfamily. Febs J., 280, 2013
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4INC
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![BU of 4inc by Molmil](/molmil-images/mine/4inc) | Human Histidine Triad Nucleotide Binding Protein 2 | 分子名称: | CHLORIDE ION, Histidine triad nucleotide-binding protein 2, mitochondrial | 著者 | Maize, K.M, Wagner, C.R, Finzel, B.C. | 登録日 | 2013-01-04 | 公開日 | 2013-05-22 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Structural characterization of human histidine triad nucleotide-binding protein 2, a member of the histidine triad superfamily. Febs J., 280, 2013
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5EMT
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![BU of 5emt by Molmil](/molmil-images/mine/5emt) | |
4WF6
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![BU of 4wf6 by Molmil](/molmil-images/mine/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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4XM8
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![BU of 4xm8 by Molmil](/molmil-images/mine/4xm8) | |
4XM6
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![BU of 4xm6 by Molmil](/molmil-images/mine/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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4XM7
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![BU of 4xm7 by Molmil](/molmil-images/mine/4xm7) | |
5D1S
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![BU of 5d1s by Molmil](/molmil-images/mine/5d1s) | |
5D1U
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![BU of 5d1u by Molmil](/molmil-images/mine/5d1u) | |
5KMC
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![BU of 5kmc by Molmil](/molmil-images/mine/5kmc) | |
5TE2
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![BU of 5te2 by Molmil](/molmil-images/mine/5te2) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a mechanism-based inhibitor | 分子名称: | 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DI(HYDROXYETHYL)ETHER, ... | 著者 | Maize, K.M, Eiden, C, Aldrich, C.C, Finzel, B.C. | 登録日 | 2016-09-20 | 公開日 | 2017-05-31 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Rational Optimization of Mechanism-Based Inhibitors through Determination of the Microscopic Rate Constants of Inactivation. J. Am. Chem. Soc., 139, 2017
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4PKS
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![BU of 4pks by Molmil](/molmil-images/mine/4pks) | Anthrax toxin lethal factor with bound small molecule inhibitor 11 | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Lethal factor, ... | 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 (2.3 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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4PKR
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![BU of 4pkr by Molmil](/molmil-images/mine/4pkr) | Anthrax toxin lethal factor with bound small molecule inhibitor 10 | 分子名称: | CHLORIDE ION, GLYCEROL, Lethal factor, ... | 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 (2.2 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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4PKU
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![BU of 4pku by Molmil](/molmil-images/mine/4pku) | Anthrax toxin lethal factor with bound small molecule inhibitor 15 | 分子名称: | Lethal factor, N~2~-(3-aminobenzyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-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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4PKW
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![BU of 4pkw by Molmil](/molmil-images/mine/4pkw) | Anthrax toxin lethal factor with bound small molecule inhibitor GM6001 | 分子名称: | 1,2-ETHANEDIOL, 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE, GLYCEROL, ... | 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 (1.75 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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4PKQ
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![BU of 4pkq by Molmil](/molmil-images/mine/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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4PKV
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![BU of 4pkv by Molmil](/molmil-images/mine/4pkv) | |
4PKT
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![BU of 4pkt by Molmil](/molmil-images/mine/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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5KGT
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![BU of 5kgt by Molmil](/molmil-images/mine/5kgt) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone | 分子名称: | 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE | 著者 | Maize, K.M, Divakaran, A, Aldrich, C.C, Finzel, B.C. | 登録日 | 2016-06-13 | 公開日 | 2017-06-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis. J. Med. Chem., 60, 2017
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5KGS
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![BU of 5kgs by Molmil](/molmil-images/mine/5kgs) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one | 分子名称: | 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Maize, K.M, Aldrich, C.C, Finzel, B.C. | 登録日 | 2016-06-13 | 公開日 | 2017-06-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis. J. Med. Chem., 60, 2017
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5KM4
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![BU of 5km4 by Molmil](/molmil-images/mine/5km4) | |
5KLZ
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![BU of 5klz by Molmil](/molmil-images/mine/5klz) | |
5KM5
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![BU of 5km5 by Molmil](/molmil-images/mine/5km5) | Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) triciribine 5'-monoposphate catalytic product complex | 分子名称: | 5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine, CHLORIDE ION, Histidine triad nucleotide-binding protein 2, ... | 著者 | Maize, K.M, Finzel, B.C. | 登録日 | 2016-06-26 | 公開日 | 2017-06-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides. Mol. Pharm., 14, 2017
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5D1T
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![BU of 5d1t by Molmil](/molmil-images/mine/5d1t) | Anthrax toxin lethal factor with hydroxamic acid inhibitor | 分子名称: | Lethal factor, N~2~-[3-(aminomethyl)benzyl]-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ZINC ION | 著者 | Maize, K.M, Finzel, B.C. | 登録日 | 2015-08-04 | 公開日 | 2015-11-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 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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5WA9
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![BU of 5wa9 by Molmil](/molmil-images/mine/5wa9) | Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside D-Ala phosphoramidate substrate complex | 分子名称: | CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{R})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid | 著者 | Maize, K.M, Finzel, B.C. | 登録日 | 2017-06-26 | 公開日 | 2017-10-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides. Mol. Pharm., 14, 2017
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