7E5U
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![BU of 7e5u by Molmil](/molmil-images/mine/7e5u) | Crystal structure of Phm7 | 分子名称: | CHLORIDE ION, Diels-Alderase, GLYCEROL, ... | 著者 | Fujiyama, K, Kato, N, Kinugasa, K, Hino, T, Takahashi, S, Nagano, S. | 登録日 | 2021-02-20 | 公開日 | 2021-06-30 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Molecular Basis for Two Stereoselective Diels-Alderases that Produce Decalin Skeletons*. Angew.Chem.Int.Ed.Engl., 60, 2021
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7E5T
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![BU of 7e5t by Molmil](/molmil-images/mine/7e5t) | Crystal structure of Fsa2 | 分子名称: | Diels-Alderase fsa2, ETHANOL, PENTAETHYLENE GLYCOL, ... | 著者 | Fujiyama, K, Kato, N, Kinugasa, K, Hino, T, Takahashi, S, Nagano, S. | 登録日 | 2021-02-20 | 公開日 | 2021-06-30 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.16977525 Å) | 主引用文献 | Molecular Basis for Two Stereoselective Diels-Alderases that Produce Decalin Skeletons*. Angew.Chem.Int.Ed.Engl., 60, 2021
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7DWO
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7DWN
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![BU of 7dwn by Molmil](/molmil-images/mine/7dwn) | Crystal structure of Vibrio fischeri DarR in complex with DNA reveals the transcriptional activation mechanism of LTTR family members | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Predicted DNA-binding transcriptional regulator | 著者 | Wang, W.W, Wu, H, He, J.H, Yu, F. | 登録日 | 2021-01-17 | 公開日 | 2021-07-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Crystal structure details of Vibrio fischeri DarR and mutant DarR-M202I from LTTR family reveals their activation mechanism. Int.J.Biol.Macromol., 183, 2021
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7ENB
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7E8P
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![BU of 7e8p by Molmil](/molmil-images/mine/7e8p) | Crystal structure of a Flavin-dependent Monooxygenase HadA wild type complexed with reduced FAD and 4-nitrophenol | 分子名称: | Chlorophenol monooxygenase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, P-NITROPHENOL | 著者 | Pimviriyakul, P, Jaruwat, A, Chitnumsub, P, Chaiyen, P. | 登録日 | 2021-03-02 | 公開日 | 2021-07-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural insights into a flavin-dependent dehalogenase HadA explain catalysis and substrate inhibition via quadruple pi-stacking. J.Biol.Chem., 297, 2021
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7E0P
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![BU of 7e0p by Molmil](/molmil-images/mine/7e0p) | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 4-(((6-Bromo-1H-indazol-4-yl)amino)methyl)phenol (2) | 分子名称: | 4-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]phenol, ACETIC ACID, Indoleamine 2,3-dioxygenase 1, ... | 著者 | Li, G.-B, Ning, X.-L. | 登録日 | 2021-01-28 | 公開日 | 2021-07-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.635 Å) | 主引用文献 | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7EMZ
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7E0S
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![BU of 7e0s by Molmil](/molmil-images/mine/7e0s) | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1R,2S)-2-(((6-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexan-1-ol (23) | 分子名称: | (1~{R},2~{S})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, ACETIC ACID, Indoleamine 2,3-dioxygenase 1, ... | 著者 | Li, G.-B, Ning, X.-L. | 登録日 | 2021-01-28 | 公開日 | 2021-07-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.712 Å) | 主引用文献 | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E44
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![BU of 7e44 by Molmil](/molmil-images/mine/7e44) | Crystal structure of NudC complexed with dpCoA | 分子名称: | DEPHOSPHO COENZYME A, NADH pyrophosphatase, ZINC ION | 著者 | Zhou, W, Guan, Z.Y, Yin, P, Zhang, D.L. | 登録日 | 2021-02-10 | 公開日 | 2021-07-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural insights into dpCoA-RNA decapping by NudC. Rna Biol., 18, 2021
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7EL1
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![BU of 7el1 by Molmil](/molmil-images/mine/7el1) | Structure of a protein from bacteria | 分子名称: | 100AA, CRISPR-associated endonuclease Cas9, DNA (28-MER), ... | 著者 | Liu, H, Zhu, Y, Huang, Z. | 登録日 | 2021-04-07 | 公開日 | 2021-07-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Structural basis of Staphylococcus aureus Cas9 inhibition by AcrIIA14. Nucleic Acids Res., 49, 2021
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7E0U
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![BU of 7e0u by Molmil](/molmil-images/mine/7e0u) | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 6-Bromo-N-(((1S,2S)-2-chlorocyclohexyl)methyl)-1H-indazol-4-amine (39) | 分子名称: | 6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Li, G.-B, Ning, X.-L. | 登録日 | 2021-01-28 | 公開日 | 2021-07-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.278 Å) | 主引用文献 | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E0Q
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![BU of 7e0q by Molmil](/molmil-images/mine/7e0q) | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1S,2R)-2-(((6-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexan-1-ol (22) | 分子名称: | (1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Li, G.-B, Ning, X.-L. | 登録日 | 2021-01-28 | 公開日 | 2021-07-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.462 Å) | 主引用文献 | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E8Q
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![BU of 7e8q by Molmil](/molmil-images/mine/7e8q) | Crystal structure of a Flavin-dependent Monooxygenase HadA F441V mutant complexed with reduced FAD and 4-nitrophenol | 分子名称: | Chlorophenol monooxygenase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, P-NITROPHENOL | 著者 | Pimviriyakul, P, Jaruwat, A, Chitnumsub, P, Chaiyen, P. | 登録日 | 2021-03-02 | 公開日 | 2021-07-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural insights into a flavin-dependent dehalogenase HadA explain catalysis and substrate inhibition via quadruple pi-stacking. J.Biol.Chem., 297, 2021
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7EAT
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![BU of 7eat by Molmil](/molmil-images/mine/7eat) | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 1 | 分子名称: | 1,3-dihydro-2H-indol-2-one, SULFATE ION, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, ... | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | 登録日 | 2021-03-08 | 公開日 | 2021-08-04 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorg.Med.Chem., 44, 2021
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7E1K
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7E1J
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7EBG
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![BU of 7ebg by Molmil](/molmil-images/mine/7ebg) | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 7 | 分子名称: | 3,3-dimethyl-7-(methylamino)-1H-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | 登録日 | 2021-03-09 | 公開日 | 2021-08-04 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorg.Med.Chem., 44, 2021
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7EBB
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![BU of 7ebb by Molmil](/molmil-images/mine/7ebb) | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 2 | 分子名称: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | 登録日 | 2021-03-09 | 公開日 | 2021-08-04 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorg.Med.Chem., 44, 2021
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7EA0
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![BU of 7ea0 by Molmil](/molmil-images/mine/7ea0) | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 1 | 分子名称: | 1,3-dihydro-2H-indol-2-one, ACETATE ION, CHLORIDE ION, ... | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | 登録日 | 2021-03-05 | 公開日 | 2021-08-04 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorg.Med.Chem., 44, 2021
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7EBH
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![BU of 7ebh by Molmil](/molmil-images/mine/7ebh) | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 13 | 分子名称: | 5-bromanyl-2-methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine, ACETATE ION, CHLORIDE ION, ... | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | 登録日 | 2021-03-09 | 公開日 | 2021-08-04 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorg.Med.Chem., 44, 2021
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7EAS
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![BU of 7eas by Molmil](/molmil-images/mine/7eas) | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 2 | 分子名称: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, ACETATE ION, CHLORIDE ION, ... | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | 登録日 | 2021-03-08 | 公開日 | 2021-08-04 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorg.Med.Chem., 44, 2021
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7EME
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![BU of 7eme by Molmil](/molmil-images/mine/7eme) | Putative Leptospira interrogans recombinant L-amino acid oxidase | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)/FAD-dependent oxidoreductase | 著者 | Vaigundan, D, Yuvaraj, I, Krishnaswamy, P.R, Sekar, K, Murthy, M.R.N, Sunita, P. | 登録日 | 2021-04-13 | 公開日 | 2021-08-18 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structural characterization of a putative recombinant L-amino acid oxidase from Leptospira interrogans Curr.Sci., 123, 2022
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7DVK
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7DVI
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