5I95
| Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid | 分子名称: | 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ... | 著者 | Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | 登録日 | 2016-02-19 | 公開日 | 2017-03-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations. Cancer Discov, 7, 2017
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5XHE
| Crystal structure analysis of the second bromodomain of BRD2 covalently linked to b-mercaptoethanol | 分子名称: | Bromodomain-containing protein 2, GLYCEROL, TRIETHYLENE GLYCOL | 著者 | Padmanabhan, B, Mathur, S, Tripathi, S.K, Deshmukh, P. | 登録日 | 2017-04-20 | 公開日 | 2017-09-06 | 最終更新日 | 2018-08-01 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Insights into the crystal structure of BRD2-BD2 - phenanthridinone complex and theoretical studies on phenanthridinone analogs. J. Biomol. Struct. Dyn., 36, 2018
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6IV9
| the Cas13d binary complex | 分子名称: | Cas13d, MAGNESIUM ION, crRNA (50-MER) | 著者 | Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y. | 登録日 | 2018-12-02 | 公開日 | 2019-06-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d. Nat Commun, 10, 2019
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5XHK
| Crystal structure of the BRD2-BD2 in complex with phenanthridinone | 分子名称: | Bromodomain-containing protein 2, GLYCEROL, METHOXYETHANE, ... | 著者 | Padmanabhan, B, Mathur, S, Tripathi, S, Deshmukh, P. | 登録日 | 2017-04-21 | 公開日 | 2017-09-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Insights into the crystal structure of BRD2-BD2 - phenanthridinone complex and theoretical studies on phenanthridinone analogs. J. Biomol. Struct. Dyn., 36, 2018
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6M0K
| The crystal structure of COVID-19 main protease in complex with an inhibitor 11b | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | 著者 | Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | 登録日 | 2020-02-22 | 公開日 | 2020-04-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.504 Å) | 主引用文献 | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease. Science, 368, 2020
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6IV8
| the selenomethionine(SeMet)-derived Cas13d binary complex | 分子名称: | MAGNESIUM ION, RNA (51-MER), RNA (53-MER), ... | 著者 | Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y. | 登録日 | 2018-12-02 | 公開日 | 2019-06-19 | 最終更新日 | 2019-06-26 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d. Nat Commun, 10, 2019
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4YZO
| Crystal Structure Analysis of Thiolase-like protein, ST0096 from Sulfolobus Tokodaii | 分子名称: | ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Padmanabhan, B, Manjula, R, Yokoyama, S, Bessho, Y. | 登録日 | 2015-03-25 | 公開日 | 2016-03-30 | 最終更新日 | 2020-02-19 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal Structure Analysis of Thiolase-like protein, ST0096 from Sulfolobus Tokodaii To Be Published
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6M03
| The crystal structure of COVID-19 main protease in apo form | 分子名称: | 3C-like proteinase | 著者 | Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Rao, Z. | 登録日 | 2020-02-19 | 公開日 | 2020-03-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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5XNW
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7XX3
| Crystal structure of human Superoxide Dismutase (SOD1) in complex with a fungal metabolite molecule, Phialomustin B (PB) | 分子名称: | (2~{E},4~{E},6~{S})-4,6-dimethyldeca-2,4-dienoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Padmanabhan, B, Unni, S. | 登録日 | 2022-05-28 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Phialomustin-B a fungal metabolite isolated from Phialophora mustea modulates Superoxide Dismutase 1 (SOD1) aggregation: Therapeutic potential in Amyotrophic lateral sclerosis (ALS) To Be Published
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7YZ9
| Structure of catalytic domain of Rv1625c bound to nanobody NB4 | 分子名称: | 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE, Adenylate cyclase, GLYCEROL, ... | 著者 | Khanppnavar, B, Mehta, V.J, Iype, T, Korkhov, V.M. | 登録日 | 2022-02-19 | 公開日 | 2022-08-31 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Structure of Mycobacterium tuberculosis Cya, an evolutionary ancestor of the mammalian membrane adenylyl cyclases. Elife, 11, 2022
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8H1I
| Crystal structure of PlyGRCS, a bacteriophage Endolysin in complex with Cold shock protein C | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cold shock-like protein CspC, ... | 著者 | Padmanabhan, B, Gopinatha, K, Mandal, M, Saranya, G, Sudhagar, B. | 登録日 | 2022-10-03 | 公開日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of PlyGRCS, a bacteriophage Endolysin in complex with Cold shock protein C To Be Published
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7ZH0
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7ZH6
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5YTO
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7ZHA
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8I16
| Crystal structure of the selenomethionine (SeMet)-derived Cas12g (D513A) mutant | 分子名称: | Cas12g, ZINC ION | 著者 | Zhang, B, Chen, J, Ye, Y.M, OuYang, S.Y. | 登録日 | 2023-01-12 | 公開日 | 2023-08-30 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Structural transitions upon guide RNA binding and their importance in Cas12g-mediated RNA cleavage. Plos Genet., 19, 2023
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5ZIK
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8FET
| Flavanone 4-Reductase from Sorghum bicolor-NADP(H) complex | 分子名称: | 3-deoxyanthocyanidin synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zhang, B, Kang, C. | 登録日 | 2022-12-06 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | 主引用文献 | Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway. Int J Mol Sci, 24, 2023
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8FEV
| Flavanone 4-Reductase from Sorghum bicolor-NADP(H) and dihydroquercetin complex | 分子名称: | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, 3-deoxyanthocyanidin synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Zhang, B, Kang, C. | 登録日 | 2022-12-06 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway. Int J Mol Sci, 24, 2023
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8FIO
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8FEW
| Flavanone 4-Reductase from Sorghum bicolor-naringenin complex | 分子名称: | 3-deoxyanthocyanidin synthase, NARINGENIN, SULFATE ION | 著者 | Zhang, B, Kang, C. | 登録日 | 2022-12-06 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway. Int J Mol Sci, 24, 2023
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8FIP
| Hypothetical anthocyanidin reducatase from Sorghum bicolor- NADP+ complex | 分子名称: | Epimerase domain-containing protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zhang, B, Kang, C. | 登録日 | 2022-12-16 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway. Int J Mol Sci, 24, 2023
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8FEU
| Flavanone 4-Reductase from Sorghum bicolor-NADP(H) and naringenin complex | 分子名称: | 3-deoxyanthocyanidin synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NARINGENIN, ... | 著者 | Zhang, B, Kang, C. | 登録日 | 2022-12-06 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway. Int J Mol Sci, 24, 2023
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5TLQ
| Model structure of the oxidized PaDsbA1 and 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine complex | 分子名称: | 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, Thiol:disulfide interchange protein DsbA | 著者 | Mohanty, B, Rimmer, K.A, McMahon, R.M, Headey, S.J, Vazirani, M, Shouldice, S.R, Coincon, M, Tay, S, Morton, C.J, Simpson, J.S, Martin, J.L, Scanlon, M.S. | 登録日 | 2016-10-11 | 公開日 | 2017-04-12 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1. PLoS ONE, 12, 2017
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