7TIX
| Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB56 | Descriptor: | 3C-like proteinase nsp5, MAGNESIUM ION, N~2~-{[(naphthalen-2-yl)methoxy]carbonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TJ0
| Crystal structure of SARS-CoV-2 3CL in complex with inhibitor SL-4-241 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ACETATE ION | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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4E13
| Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase | Descriptor: | Diketoreductase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y. | Deposit date: | 2012-03-05 | Release date: | 2012-11-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase Chem.Commun.(Camb.), 48, 2012
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4DYD
| Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase | Descriptor: | Diketoreductase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y. | Deposit date: | 2012-02-28 | Release date: | 2012-11-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase Chem.Commun.(Camb.), 48, 2012
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4E12
| Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase | Descriptor: | Diketoreductase, GLYCEROL, PENTAETHYLENE GLYCOL, ... | Authors: | Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y. | Deposit date: | 2012-03-05 | Release date: | 2012-11-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase Chem.Commun.(Camb.), 48, 2012
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3L9D
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6A6J
| Crystal structure of Zebra fish Y-box protein1 (YB-1) Cold-shock domain in complex with 6mer m5C RNA | Descriptor: | RNA (5'-R(P*CP*AP*UP*(5MC)P*U)-3'), ZINC ION, Zebra fish Y-box protein1 (YB-1) | Authors: | Zhang, M.M, Wu, B.X, Huang, Y, Ma, J.B. | Deposit date: | 2018-06-28 | Release date: | 2019-06-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.255 Å) | Cite: | RNA 5-Methylcytosine Facilitates the Maternal-to-Zygotic Transition by Preventing Maternal mRNA Decay. Mol.Cell, 75, 2019
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3L9C
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7YVA
| Crystal structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with lipoic acid | Descriptor: | 1,2-ETHANEDIOL, Candida albicans Fructose-1,6-bisphosphate aldolase, LIPOIC ACID, ... | Authors: | Cao, H, Huang, Y, Ren, Y, Wan, J. | Deposit date: | 2022-08-19 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Crystal structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with lipoic acid To Be Published
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3O72
| Crystal structure of EfeB in complex with heme | Descriptor: | OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, Redox component of a tripartite ferrous iron transporter | Authors: | Liu, X, Du, Q, Wang, Z, Zhu, D, Huang, Y, Li, N, Xu, S, Gu, L. | Deposit date: | 2010-07-30 | Release date: | 2011-03-16 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure and biochemical features of EfeB/YcdB from Escherichia coli O157: ASP235 plays divergent roles in different enzyme-catalyzed processes J.Biol.Chem., 286, 2011
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7EIZ
| Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading | Descriptor: | Helicase, MAGNESIUM ION, Non-structural protein 10, ... | Authors: | Yan, L, Yang, Y.X, Li, M.Y, Zhang, Y, Zheng, L.T, Ge, J, Huang, Y.C, Liu, Z.Y, Wang, T, Gao, S, Zhang, R, Huang, Y.Y, Guddat, L.W, Gao, Y, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2021-04-01 | Release date: | 2021-09-22 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY | Cite: | Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading Cell, 184, 2021
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7EGQ
| Co-transcriptional capping machineries in SARS-CoV-2 RTC: Coupling of N7-methyltransferase and 3'-5' exoribonuclease with polymerase reveals mechanisms for capping and proofreading | Descriptor: | Helicase, MAGNESIUM ION, Non-structural protein 10, ... | Authors: | Yan, L.M, Yang, Y.X, Li, M.Y, Zhang, Y, Zheng, L.T, Ge, J, Huang, Y.C, Liu, Z.Y, Wang, T, Gao, S, Zhang, R, Huang, Y.Y, Guddat, L.W, Gao, Y, Rao, Z.H, Lou, Z.Y. | Deposit date: | 2021-03-25 | Release date: | 2021-07-21 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading. Cell, 184, 2021
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7RN3
| hyen D solution structure | Descriptor: | Cyclotide hyen-D | Authors: | Du, Q, Huang, Y.H, Craik, D.J, Wang, C.K. | Deposit date: | 2021-07-29 | Release date: | 2022-03-02 | Last modified: | 2022-12-07 | Method: | SOLUTION NMR | Cite: | Mutagenesis of bracelet cyclotide hyen D reveals functionally and structurally critical residues for membrane binding and cytotoxicity. J.Biol.Chem., 298, 2022
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6AKW
| Crystal structure of RNA dioxygenase bound with an inhibitor | Descriptor: | 2-OXOGLUTARIC ACID, 2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO | Authors: | Yang, C.-G, Huang, Y, Gan, J. | Deposit date: | 2018-09-04 | Release date: | 2019-05-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Small-Molecule Targeting of Oncogenic FTO Demethylase in Acute Myeloid Leukemia. Cancer Cell, 35, 2019
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4RFR
| Complex structure of AlkB/rhein | Descriptor: | 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION | Authors: | Li, Q, Huang, Y, Li, J.F, Yang, C.-G. | Deposit date: | 2014-09-27 | Release date: | 2016-04-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Rhein Inhibits AlkB Repair Enzymes and Sensitizes Cells to Methylated DNA Damage. J.Biol.Chem., 291, 2016
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3K7N
| Structures of two elapid snake venom metalloproteases with distinct activities highlight the disulfide patterns in the D domain of ADAMalysin family proteins | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Guan, H.H, Huang, Y.W, Wu, W.G, Chen, C.J. | Deposit date: | 2009-10-13 | Release date: | 2010-03-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of two elapid snake venom metalloproteases with distinct activities highlight the disulfide patterns in the D domain of ADAMalysin family proteins J.Struct.Biol., 169, 2010
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4QKN
| Crystal structure of FTO bound to a selective inhibitor | Descriptor: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, ... | Authors: | Yang, C.-G, Huang, Y, Gan, J. | Deposit date: | 2014-06-07 | Release date: | 2014-12-03 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Meclofenamic acid selectively inhibits FTO demethylation of m6A over ALKBH5. Nucleic Acids Res., 43, 2015
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1N91
| Solution NMR Structure of Protein yggU from Escherichia coli. Northeast Structural Genomics Consortium Target ER14. | Descriptor: | orf, hypothetical protein | Authors: | Aramini, J.M, Xiao, R, Huang, Y.J, Acton, T.B, Wu, M.J, Mills, J.L, Tejero, R.T, Szyperski, T, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2002-11-21 | Release date: | 2003-01-14 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Resonance assignments for the hypothetical protein yggU from Escherichia coli. J.Biomol.Nmr, 27, 2003
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5YVX
| Crystal structure of SDG8 CW domain in complex with H3K4me1 peptide | Descriptor: | H3K4me1, Histone-lysine N-methyltransferase ASHH2, ZINC ION | Authors: | Liu, Y, Huang, Y. | Deposit date: | 2017-11-27 | Release date: | 2018-03-14 | Last modified: | 2018-05-09 | Method: | X-RAY DIFFRACTION (1.591 Å) | Cite: | Uncovering the mechanistic basis for specific recognition of monomethylated H3K4 by the CW domain ofArabidopsishistone methyltransferase SDG8. J. Biol. Chem., 293, 2018
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5ZUM
| Structure of dipeptidyl-peptidase III from Corallococcus sp. strain EGB | Descriptor: | ZINC ION, dipeptidyl-peptidase III | Authors: | Zhang, H, Duan, Y.J, Li, Z.K, Liu, W.D, Huang, Y, Cui, Z.L. | Deposit date: | 2018-05-08 | Release date: | 2019-06-12 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of dipeptidyl peptidase III from Corallococcus sp. strain EGB To Be Published
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6KG6
| Crystal structure of MavC/UBE2N-Ub complex | Descriptor: | MavC, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 N | Authors: | Wang, Y, Huang, Y, Chang, M, Feng, Y. | Deposit date: | 2019-07-10 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structural insights into the mechanism and inhibition of transglutaminase-induced ubiquitination by the Legionella effector MavC. Nat Commun, 11, 2020
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6AIN
| Crystal structure of p-nitrophenol 4-monooxygenase PnpA from Pseudomonas putida DLL-E4 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PnpA | Authors: | Chen, Q.Z, Huang, Y, Duan, Y.J, Li, Z.K, Liu, W.D, Cui, Z.L. | Deposit date: | 2018-08-24 | Release date: | 2018-10-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal structure of p-nitrophenol 4-monooxygenase PnpA from Pseudomonas putida DLL-E4: The key enzyme involved in p-nitrophenol degradation. Biochem. Biophys. Res. Commun., 504, 2018
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6AIO
| Crystal structure of p-nitrophenol 4-monooxygenase PnpA from Pseudomonas putida DLL-E4 | Descriptor: | PnpA | Authors: | Chen, Q.Z, Huang, Y, Duan, Y.J, Li, Z.K, Liu, W.D, Cui, Z.L. | Deposit date: | 2018-08-24 | Release date: | 2018-10-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Crystal structure of p-nitrophenol 4-monooxygenase PnpA from Pseudomonas putida DLL-E4: The key enzyme involved in p-nitrophenol degradation. Biochem. Biophys. Res. Commun., 504, 2018
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6AWJ
| Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-MeO-N5Pan with pantothenate present in reaction | Descriptor: | (2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, Type II pantothenate kinase | Authors: | Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H. | Deposit date: | 2017-09-05 | Release date: | 2018-09-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase. To Be Published
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6AWI
| Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-N5Pan | Descriptor: | (2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide, ADENOSINE-5'-DIPHOSPHATE, Type II pantothenate kinase | Authors: | Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H. | Deposit date: | 2017-09-05 | Release date: | 2018-09-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase. To Be Published
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