5G0T
 
 | | InhA in complex with a DNA encoded library hit | | 分子名称: | 1-benzyl-N-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Read, J.A, Breed, J. | | 登録日 | 2016-03-22 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
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4BHK
 | | Crystal Structure of Moss Leafy bound to DNA | | 分子名称: | FLORICAULA/LEAFY HOMOLOG 1, MOSS-CR54 DNA | | 著者 | Nanao, M.H, Sayou, C, Dumas, R, Parcy, F. | | 登録日 | 2013-04-03 | | 公開日 | 2014-01-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | A Promiscuous Intermediate Underlies the Evolution of Leafy DNA Binding Specificity.
Science, 343, 2014
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7WW2
 | | Structure of an Isocytosine specific deaminase Vcz | | 分子名称: | 8-oxoguanine deaminase, ZINC ION | | 著者 | Li, X.J, Wu, B.X. | | 登録日 | 2022-02-12 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy.
Iscience, 26, 2023
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5URC
 | | Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease | | 分子名称: | (5-formylfuran-2-yl)methyl acetate, 5-HYDROXYMETHYL-FURFURAL, CARBON MONOXIDE, ... | | 著者 | Pagare, P.P, Safo, R.S, Gazi, A. | | 登録日 | 2017-02-10 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of Ester and Ether Derivatives of Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease.
Mol. Pharm., 14, 2017
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8T06
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8SVB
 | | Antimicrobial lasso peptide achromonodin-1 | | 分子名称: | Achromonodin-1 | | 著者 | Carson, D.V, Cheung-Lee, W.L, So, L, Link, A.J. | | 登録日 | 2023-05-16 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-12-06 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Discovery, Characterization, and Bioactivity of the Achromonodins: Lasso Peptides Encoded by Achromobacter .
J.Nat.Prod., 86, 2023
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7WWV
 | | DNA bound-ICP1 Csy complex | | 分子名称: | Csy1, Csy2, Csy3, ... | | 著者 | Zhang, M, Peng, R. | | 登録日 | 2022-02-14 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Mechanistic insights into DNA binding and cleavage by a compact type I-F CRISPR-Cas system in bacteriophage.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7WWU
 | | ICP1 Csy complex | | 分子名称: | Csy1, Csy2, Csy3, ... | | 著者 | Zhang, M, Peng, R. | | 登録日 | 2022-02-14 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Mechanistic insights into DNA binding and cleavage by a compact type I-F CRISPR-Cas system in bacteriophage.
Proc.Natl.Acad.Sci.USA, 120, 2023
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3G42
 | | Crystal Structure of TACE with Tryptophan Sulfonamide Derivative Inhibitor | | 分子名称: | ADAM 17, N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan, ZINC ION | | 著者 | Xu, W, Park, K, Gopalsamy, A, Aplasca, A, Zhang, Y.H, Levin, J.I. | | 登録日 | 2009-02-03 | | 公開日 | 2009-05-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Synthesis and activity of tryptophan sulfonamide derivatives as novel non-hydroxamate TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem., 17, 2009
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8GUE
 | | Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238 | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ... | | 著者 | Li, G.B, Pan, Y.J, Li, S.Y, Gao, X. | | 登録日 | 2022-09-11 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids.
Nat Commun, 14, 2023
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6K9C
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7C2L
 | | S protein of SARS-CoV-2 in complex bound with 4A8 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Yan, R.H, Zhang, Y.Y, Guo, Y.Y, Li, Y.N, Xia, L, Zhou, Q. | | 登録日 | 2020-05-08 | | 公開日 | 2020-07-01 | | 最終更新日 | 2021-02-17 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | A neutralizing human antibody binds to the N-terminal domain of the Spike protein of SARS-CoV-2.
Science, 369, 2020
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7YE9
 | | SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | | 登録日 | 2022-07-05 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-05-03 | | 実験手法 | ELECTRON MICROSCOPY (4.17 Å) | | 主引用文献 | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
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7Y3X
 | | Crystal structure of BTG13 mutant (H58F) | | 分子名称: | FE (III) ION, GLYCEROL, Questin oxidase | | 著者 | Hou, X.D, Rao, Y.J. | | 登録日 | 2022-06-13 | | 公開日 | 2022-09-21 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Discovery of the Biosynthetic Pathway of Beticolin 1 Reveals a Novel Non-Heme Iron-Dependent Oxygenase for Anthraquinone Ring Cleavage.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7Y3Y
 | | Crystal structure of BTG13 mutant (T299V) | | 分子名称: | FE (III) ION, GLYCEROL, questin oxidase BTG13 | | 著者 | Hou, X.D, Fu, K, Rao, Y.J. | | 登録日 | 2022-06-13 | | 公開日 | 2022-09-21 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Discovery of the Biosynthetic Pathway of Beticolin 1 Reveals a Novel Non-Heme Iron-Dependent Oxygenase for Anthraquinone Ring Cleavage.
Angew.Chem.Int.Ed.Engl., 61, 2022
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6K5M
 | | The crystal structure of a serotonin N-acetyltransferase from Oryza Sativa (Rice) | | 分子名称: | Serotonin N-acetyltransferase 1, chloroplastic | | 著者 | Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X. | | 登録日 | 2019-05-29 | | 公開日 | 2020-06-03 | | 最終更新日 | 2021-09-22 | | 実験手法 | X-RAY DIFFRACTION (1.793 Å) | | 主引用文献 | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7Y3W
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8S5B
 | | Crystal structure of the sulfoquinovosyl binding protein (SmoF) from A. tumefaciens sulfo-SMO pathway in complex with SQOctyl ligand | | 分子名称: | Sulfoquinovosyl glycerol-binding protein SmoF, [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-octoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid | | 著者 | Snow, A.J.D, Sharma, M, Davies, G.J. | | 登録日 | 2024-02-23 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Capture-and-release of a sulfoquinovose-binding protein on sulfoquinovose-modified agarose.
Org.Biomol.Chem., 22, 2024
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6KLS
 | | Hyperthermophilic respiratory Complex III | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-[(2~{E},6~{E},10~{Z},14~{Z},18~{Z},23~{R})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione, Cytochrome c, ... | | 著者 | Fei, S, Hartmut, M, Yun, Z, Guohong, P, Guoliang, Z, Hui, Z, Shuangbo, Z, Xiaoyun, P, Yan, Z. | | 登録日 | 2019-07-30 | | 公開日 | 2020-05-13 | | 最終更新日 | 2021-04-07 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | A 3.3 angstrom -Resolution Structure of Hyperthermophilic Respiratory Complex III Reveals the Mechanism of Its Thermal Stability.
Angew.Chem.Int.Ed.Engl., 59, 2020
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7YB1
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7YB2
 | | Crystal Structure of anthrol reductase (CbAR) in complex with NADP+ and emodin | | 分子名称: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Hou, X.D, Rao, Y.J. | | 登録日 | 2022-06-28 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins.
Nat Commun, 14, 2023
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8GTY
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3CTJ
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7YKC
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7YDY
 | | SARS-CoV-2 Spike (6P) in complex with 1 R1-32 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | | 登録日 | 2022-07-04 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-07-26 | | 実験手法 | ELECTRON MICROSCOPY (4.75 Å) | | 主引用文献 | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
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