5TUQ
| Crystal Structure of a 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione Inhibitor in Complex with HIV Reverse Transcriptase | 分子名称: | 1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION | 著者 | Kirby, K.A, Sarafianos, S.G. | 登録日 | 2016-11-07 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.705 Å) | 主引用文献 | 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione as an inhibitor scaffold of HIV reverase transcriptase: Impacts of the 3-OH on inhibiting RNase H and polymerase. Eur J Med Chem, 128, 2017
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5TLA
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6SMB
| Human jak1 kinase domain in complex with inhibitor | 分子名称: | Tyrosine-protein kinase JAK1, ~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide | 著者 | Read, J.A, Steuber, H. | 登録日 | 2019-08-21 | 公開日 | 2020-04-29 | 最終更新日 | 2020-05-27 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor. J.Med.Chem., 63, 2020
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6QUY
| NgCKK (N.Gruberi CKK) decorated 13pf taxol-GDP microtubule | 分子名称: | CKK domain protein, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A. | 登録日 | 2019-02-28 | 公開日 | 2019-11-27 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Structural determinants of microtubule minus end preference in CAMSAP CKK domains. Nat Commun, 10, 2019
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6QVE
| NgCKK (Naegleria Gruberi CKK) decorated 14pf taxol-GDP microtubule | 分子名称: | Beta1-tubulin, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A. | 登録日 | 2019-03-01 | 公開日 | 2019-11-27 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Structural determinants of microtubule minus end preference in CAMSAP CKK domains. Nat Commun, 10, 2019
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6QUS
| HsCKK (human CAMSAP1) decorated 13pf taxol-GDP microtubule | 分子名称: | Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A. | 登録日 | 2019-02-28 | 公開日 | 2019-11-27 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Structural determinants of microtubule minus end preference in CAMSAP CKK domains. Nat Commun, 10, 2019
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6MOO
| Co-Crystal structure of P. aeruginosa LpxC-achn975 complex | 分子名称: | N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | 著者 | Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R. | 登録日 | 2018-10-04 | 公開日 | 2019-07-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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6STB
| Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, Q64W mutant | 分子名称: | Major strawberry allergen Fra a 1-2 | 著者 | Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C. | 登録日 | 2019-09-10 | 公開日 | 2019-12-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits. J.Agric.Food Chem., 68, 2020
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6MO4
| Co-Crystal structure of P. aeruginosa LpxC-50067 complex | 分子名称: | MAGNESIUM ION, N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase | 著者 | Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R. | 登録日 | 2018-10-04 | 公開日 | 2019-07-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.844 Å) | 主引用文献 | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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6MOD
| Co-Crystal structure of P. aeruginosa LpxC-50432 complex | 分子名称: | GLYCEROL, MAGNESIUM ION, N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, ... | 著者 | Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R. | 登録日 | 2018-10-04 | 公開日 | 2019-07-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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7AGR
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7AGS
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7AGP
| Structure of the AcylTransferase domain of Mycocerosic Acid Synthase from Mycobacterium tuberculosis | 分子名称: | 1,2-ETHANEDIOL, Mycocerosic acid synthase | 著者 | Brison, Y, Nahoum, V, Mourey, L, Maveyraud, L. | 登録日 | 2020-09-23 | 公開日 | 2020-12-09 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Molecular Basis for Extender Unit Specificity of Mycobacterial Polyketide Synthases. Acs Chem.Biol., 15, 2020
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2XXS
| Solution structure of the N-terminal domain of the Shigella type III secretion protein MxiG | 分子名称: | PROTEIN MXIG | 著者 | McDowell, M.A, Johnson, S, Deane, J.E, McDonnell, J.M, Lea, S.M. | 登録日 | 2010-11-11 | 公開日 | 2011-07-06 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural and Functional Studies on the N-Terminal Domain of the Shigella Type III Secretion Protein Mxig. J.Biol.Chem., 286, 2011
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7AGQ
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6S57
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5V18
| Structure of PHD2 in complex with 1,2,4-Triazolo-[1,5-a]pyridine | 分子名称: | 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile, Egl nine homolog 1, FE (II) ION, ... | 著者 | Skene, R.J. | 登録日 | 2017-03-01 | 公開日 | 2017-06-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | 1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction. J. Med. Chem., 60, 2017
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7AHB
| Acyltransferase domain of the polyketide synthase PpsC of Mycobacterium tuberculosis | 分子名称: | GLYCEROL, Phthiocerol synthesis polyketide synthase type I PpsC, SODIUM ION, ... | 著者 | Faille, A, Mourey, L, Pedelacq, J.D. | 登録日 | 2020-09-24 | 公開日 | 2020-12-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Molecular Basis for Extender Unit Specificity of Mycobacterial Polyketide Synthases. Acs Chem.Biol., 15, 2020
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7AGU
| Structure of the S726F mutant of AcylTransferase domain of Mycocerosic Acid Synthase from Mycobacterium tuberculosis acylated with MethylMalonyl-coenzyme A | 分子名称: | 1,2-ETHANEDIOL, METHYLMALONIC ACID, Mycocerosic acid synthase | 著者 | Brison, Y, Mourey, L, Maveyraud, L. | 登録日 | 2020-09-23 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Molecular Basis for Extender Unit Specificity of Mycobacterial Polyketide Synthases. Acs Chem.Biol., 15, 2020
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7AKC
| Structure of the of AcylTransferase domain of phenolphthiocerol/phtiocerol synthase A from Mycobacterium bovis (BCG) | 分子名称: | Phenolpthiocerol synthesis type-I polyketide synthase ppsA, SODIUM ION | 著者 | Brison, Y, Nahoum, V, Mourey, L, Maveyraud, L. | 登録日 | 2020-09-30 | 公開日 | 2020-12-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Molecular Basis for Extender Unit Specificity of Mycobacterial Polyketide Synthases. Acs Chem.Biol., 15, 2020
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5UV5
| Crystal Structure of a 2-Hydroxyisoquinoline-1,3-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase | 分子名称: | 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ... | 著者 | Kirby, K.A, Sarafianos, S.G. | 登録日 | 2017-02-19 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A 2-Hydroxyisoquinoline-1,3-Dione Active-Site RNase H Inhibitor Binds in Multiple Modes to HIV-1 Reverse Transcriptase. Antimicrob. Agents Chemother., 61, 2017
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6N80
| S. aureus ClpP bound to anti-4a | 分子名称: | ATP-dependent Clp protease proteolytic subunit, N-[(1R)-1-borono-3-methylbutyl]-N~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-L-leucinamide | 著者 | Lee, R.E, Griffith, E.C. | 登録日 | 2018-11-28 | 公開日 | 2019-06-26 | 最終更新日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | De Novo Design of Boron-Based Peptidomimetics as Potent Inhibitors of Human ClpP in the Presence of Human ClpX. J.Med.Chem., 62, 2019
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6N64
| Crystal structure of mouse SMCHD1 hinge domain | 分子名称: | Structural maintenance of chromosomes flexible hinge domain-containing protein 1, Uncharacterized peptide from Structural maintenance of chromosomes flexible hinge domain-containing protein 1 | 著者 | Birkinshaw, R.W, Chen, K, Czabotar, P.E, Blewitt, M.E, Murphy, J.M. | 登録日 | 2018-11-25 | 公開日 | 2020-06-17 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Crystal structure of the hinge domain of Smchd1 reveals its dimerization mode and nucleic acid-binding residues. Sci.Signal., 13, 2020
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6STA
| Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, E46A D48A mutant | 分子名称: | Major strawberry allergen Fra a 1-2 | 著者 | Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C. | 登録日 | 2019-09-10 | 公開日 | 2019-12-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits. J.Agric.Food Chem., 68, 2020
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5TIL
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