7RIE
 
 | | Plasmodium falciparum M17 in complex with inhibitor MIPS2571 | | 分子名称: | CARBONATE ION, M17 leucyl aminopeptidase, N-{(1R)-2-(hydroxyamino)-1-[4'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide, ... | | 著者 | Webb, C.T, McGowan, S. | | 登録日 | 2021-07-19 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Genetic and chemical validation of Plasmodium falciparum aminopeptidase Pf A-M17 as a drug target in the hemoglobin digestion pathway.
Elife, 11, 2022
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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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7REV
 | | Co-crystal structure of Chaetomium glucosidase with compound 3 | | 分子名称: | (2R,3R,4R,5S)-1-[(4-{[4-(furan-2-yl)-2-methylanilino]methyl}phenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Karade, S.S, Mariuzza, R.A. | | 登録日 | 2021-07-13 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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4N7L
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1ZG6
 | | TEM1 beta lactamase mutant S70G | | 分子名称: | Beta-lactamase TEM | | 著者 | Stec, B, Holtz, K.M, Wojciechowski, C.L, Kantrowitz, E.R. | | 登録日 | 2005-04-20 | | 公開日 | 2005-05-17 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure of the wild-type TEM-1 beta-lactamase at 1.55 A and the mutant enzyme Ser70Ala at 2.1 A suggest the mode of noncovalent catalysis for the mutant enzyme.
Acta Crystallogr.,Sect.D, 61, 2005
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1ZI5
 | | Crystal Structure of Human N-acetylgalactosaminyltransferase (GTA) Complexed with H type I Trisaccharide | | 分子名称: | Histo-blood group ABO system transferase (NAGAT) Includes: Glycoprotein-fucosylgalactoside alpha-N- acetylgalactosaminyltransferase, MERCURY (II) ION, URIDINE-5'-DIPHOSPHATE, ... | | 著者 | Letts, J.A, Rose, N.L, Fang, Y.R, Barry, C.H, Borisova, S.N, Seto, N.O, Palcic, M.M, Evans, S.V. | | 登録日 | 2005-04-26 | | 公開日 | 2005-12-13 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Differential Recognition of the Type I and II H Antigen Acceptors by the Human ABO(H) Blood Group A and B Glycosyltransferases.
J.Biol.Chem., 281, 2006
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4NI0
 | | Quaternary R3 CO-liganded hemoglobin structure in complex with a thiol containing compound | | 分子名称: | 5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | 著者 | Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W. | | 登録日 | 2013-11-05 | | 公開日 | 2014-08-20 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling.
Acs Chem.Biol., 9, 2014
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4NNM
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7Y0L
 | | SulE-S209A | | 分子名称: | Alpha/beta fold hydrolase, GLYCEROL, METHYL 2-[({[(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE | | 著者 | Liu, B, Ran, T, He, J, Wang, W. | | 登録日 | 2022-06-05 | | 公開日 | 2023-08-02 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
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2P6Y
 | | X-ray structure of the protein Q9KM02_VIBCH from Vibrio cholerae at the resolution 1.63 A. Northeast Structural Genomics Consortium target VcR80. | | 分子名称: | Hypothetical protein VCA0587, ZINC ION | | 著者 | Kuzin, A.P, Abashidze, M, Jayaraman, S, Chen, C.X, Wang, C, Fang, Y, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2007-03-19 | | 公開日 | 2007-06-05 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | X-ray structure of the protein Q9KM02_VIBCH from Vibrio cholerae at the resolution 1.63 A.
To be Published
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7Y94
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4NI1
 | | Quaternary R CO-liganded hemoglobin structure in complex with a thiol containing compound | | 分子名称: | 5-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | 著者 | Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W. | | 登録日 | 2013-11-05 | | 公開日 | 2014-09-17 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling.
Acs Chem.Biol., 9, 2014
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7YAW
 | | Crystal structure of ZAK in complex with compound YH-180 | | 分子名称: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[3-[[5-[1-[2,6-bis(fluoranyl)-3-[(3-phenylphenyl)sulfonylamino]phenyl]-1,2,3-triazol-4-yl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]oxy]propyl]propanamide | | 著者 | Kong, L.L, Yun, C.H. | | 登録日 | 2022-06-28 | | 公開日 | 2023-08-09 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov).
J.Med.Chem., 66, 2023
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8IWD
 | | Aspergillus niger Rha-2 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Li, L.J, Li, L, Wang, M.H, Jiang, Z.D, Zhu, Y.B, Jin, T.C, Ni, H. | | 登録日 | 2023-03-29 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Crystal structure and catalytic function of alpha-L-rhamnosidase from Aspergillus niger
To Be Published
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8IP2
 | | Escherichia coli OpgG mutant-D361N with beta-1,2-glucan | | 分子名称: | Glucans biosynthesis protein G, beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose | | 著者 | Motouchi, S, Nakajima, M. | | 登録日 | 2023-03-13 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Identification of enzymatic functions of osmo-regulated periplasmic glucan biosynthesis proteins from Escherichia coli reveals a novel glycoside hydrolase family.
Commun Biol, 6, 2023
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7YRE
 | | Crystal structure of a bright green fluorescent protein (StayGold) with triple mutations (N137A, Q140S, Y187F) in jellyfish Cytaeis uchidae from Biortus | | 分子名称: | 1,2-ETHANEDIOL, staygold(N137A,Q140S,Y187F) | | 著者 | Wu, J, Wang, F, Gui, W, Cheng, W, Yang, Y. | | 登録日 | 2022-08-09 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of a bright green fluorescent protein (StayGold) with triple mutations (N137A, Q140S, Y187F) in jellyfish Cytaeis uchidae from Biortus
To Be Published
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7YRD
 | | histone methyltransferase | | 分子名称: | DNA (146-MER), Histone H2A.Z, Histone H2B 1.1, ... | | 著者 | Li, H, Wang, W.Y. | | 登録日 | 2022-08-09 | | 公開日 | 2023-08-16 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural insight into H4K20 methylation on H2A.Z-nucleosome by SUV420H1.
Mol.Cell, 83, 2023
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7SEX
 | | M. tb EgtD in complex with TGX221 | | 分子名称: | 7-methyl-2-morpholin-4-yl-9-[(1~{R})-1-phenylazanylethyl]-3~{H}-pyrido[1,2-a]pyrimidin-4-one, GLYCEROL, Histidine N-alpha-methyltransferase | | 著者 | Sudasinghe, T.D, Ronning, D.R. | | 登録日 | 2021-10-02 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
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7Y99
 | | Crystal Structure Analysis of cp2 bound BCLxl | | 分子名称: | Bcl-2-like protein 1, CP2 peptide, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide | | 著者 | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | 登録日 | 2022-06-24 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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7SEY
 | | M. tb EgtD in complex with SGH | | 分子名称: | 2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one, Histidine N-alpha-methyltransferase | | 著者 | Sudasinghe, T.D, Ronning, D.R. | | 登録日 | 2021-10-02 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
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7YAA
 | | Crystal structure analysis of cp3 bound BCLxl | | 分子名称: | Bcl-2-like protein 1, GLYCEROL, N-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide, ... | | 著者 | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | 登録日 | 2022-06-27 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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7Y8D
 | | Crystal structure of cp1 bound BCLxl | | 分子名称: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Bcl-2-like protein 1, cp1 peptide | | 著者 | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | 登録日 | 2022-06-23 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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7YA5
 | | Crystal structure analysis of cp1 bound BCL2/G101V | | 分子名称: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide | | 著者 | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | 登録日 | 2022-06-27 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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7YB7
 | | anti-apoptotic protein BCL-2-M12 | | 分子名称: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide, cp2 peptide | | 著者 | Li, F.W, Liu, C, Wu, D.L. | | 登録日 | 2022-06-29 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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7YRG
 | | histone methyltransferase | | 分子名称: | DNA (146-MER), Histone H2A.Z, Histone H2B 1.1, ... | | 著者 | Li, H, Wang, W.Y. | | 登録日 | 2022-08-09 | | 公開日 | 2023-12-13 | | 最終更新日 | 2025-06-18 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Structural insight into H4K20 methylation on H2A.Z-nucleosome by SUV420H1.
Mol.Cell, 83, 2023
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