7UUH
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![BU of 7uuh by Molmil](/molmil-images/mine/7uuh) | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001034732-2 (cis-form) | Descriptor: | (1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | Deposit date: | 2022-04-28 | Release date: | 2022-11-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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4LU1
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![BU of 4lu1 by Molmil](/molmil-images/mine/4lu1) | Crystal structure of the uncharacterized Maf protein YceF from E. coli, mutant D69A | Descriptor: | Maf-like protein YceF, UNKNOWN ATOM OR ION | Authors: | Dong, A, Xu, X, Cui, H, Tchigvintsev, A, Flick, R, Brown, G, Popovic, A, Yakunin, A.F, Savchenko, A, Structural Genomics Consortium (SGC) | Deposit date: | 2013-07-24 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Biochemical and structural studies of conserved maf proteins revealed nucleotide pyrophosphatases with a preference for modified nucleotides. Chem.Biol., 20, 2013
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7XWJ
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![BU of 7xwj by Molmil](/molmil-images/mine/7xwj) | structure of patulin-detoxifying enzyme Y155F with NADPH | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase | Authors: | Dai, L, Li, H, Hu, Y, Guo, R.T, Chen, C.C. | Deposit date: | 2022-05-26 | Release date: | 2022-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-based rational design of a short-chain dehydrogenase/reductase for improving activity toward mycotoxin patulin. Int.J.Biol.Macromol., 222, 2022
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7XWI
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![BU of 7xwi by Molmil](/molmil-images/mine/7xwi) | structure of patulin-detoxifying enzyme with NADPH | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase | Authors: | Dai, L, Li, H, Hu, Y, Guo, R.T, Chen, C.C. | Deposit date: | 2022-05-26 | Release date: | 2022-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure-based rational design of a short-chain dehydrogenase/reductase for improving activity toward mycotoxin patulin. Int.J.Biol.Macromol., 222, 2022
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7XWH
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![BU of 7xwh by Molmil](/molmil-images/mine/7xwh) | structure of patulin-detoxifying enzyme with NADP+ | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase | Authors: | Dai, L, Li, H, Hu, Y, Guo, R.T, Chen, C.C. | Deposit date: | 2022-05-26 | Release date: | 2022-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structure-based rational design of a short-chain dehydrogenase/reductase for improving activity toward mycotoxin patulin. Int.J.Biol.Macromol., 222, 2022
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7XWL
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![BU of 7xwl by Molmil](/molmil-images/mine/7xwl) | structure of patulin-detoxifying enzyme Y155F/V187F with NADPH | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase | Authors: | Dai, L, Li, H, Hu, Y, Guo, R.T, Chen, C.C. | Deposit date: | 2022-05-26 | Release date: | 2022-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure-based rational design of a short-chain dehydrogenase/reductase for improving activity toward mycotoxin patulin. Int.J.Biol.Macromol., 222, 2022
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7XWN
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![BU of 7xwn by Molmil](/molmil-images/mine/7xwn) | structure of patulin-detoxifying enzyme Y155F/V187K with NADPH and substrate | Descriptor: | (4~{S})-4-oxidanyl-4,6-dihydrofuro[3,2-c]pyran-2-one, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase | Authors: | Dai, L, Li, H, Hu, Y, Guo, R.T, Chen, C.C. | Deposit date: | 2022-05-26 | Release date: | 2022-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based rational design of a short-chain dehydrogenase/reductase for improving activity toward mycotoxin patulin. Int.J.Biol.Macromol., 222, 2022
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7XWK
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![BU of 7xwk by Molmil](/molmil-images/mine/7xwk) | structure of patulin-detoxifying enzyme Y155F with NADPH and substrate | Descriptor: | (4~{S})-4-oxidanyl-4,6-dihydrofuro[3,2-c]pyran-2-one, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase | Authors: | Dai, L, Li, H, Hu, Y, Guo, R.T, Chen, C.C. | Deposit date: | 2022-05-26 | Release date: | 2022-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-based rational design of a short-chain dehydrogenase/reductase for improving activity toward mycotoxin patulin. Int.J.Biol.Macromol., 222, 2022
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7XTV
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![BU of 7xtv by Molmil](/molmil-images/mine/7xtv) | The structure of MHET-bound TfCut S130A | Descriptor: | 4-(2-hydroxyethyloxycarbonyl)benzoic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases. Nat Commun, 14, 2023
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7XTU
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![BU of 7xtu by Molmil](/molmil-images/mine/7xtu) | The structure of TfCut S130A | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases. Nat Commun, 14, 2023
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7XTS
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![BU of 7xts by Molmil](/molmil-images/mine/7xts) | The apo structure of the engineered TfCut S130A | Descriptor: | SODIUM ION, alpha/beta hydrolase | Authors: | Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases. Nat Commun, 14, 2023
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7XTW
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![BU of 7xtw by Molmil](/molmil-images/mine/7xtw) | The structure of IsPETase in complex with MHET | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, GLYCEROL, ... | Authors: | Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases. Nat Commun, 14, 2023
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7XTR
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![BU of 7xtr by Molmil](/molmil-images/mine/7xtr) | The apo structure of the engineered TfCut | Descriptor: | GLYCEROL, LITHIUM ION, SULFATE ION, ... | Authors: | Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases. Nat Commun, 14, 2023
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7XTT
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![BU of 7xtt by Molmil](/molmil-images/mine/7xtt) | The structure of engineered TfCut S130A in complex with MHET | Descriptor: | 1,2-ETHANEDIOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, SODIUM ION, ... | Authors: | Yang, Y, Jiang, P.C, Huang, J.W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases. Nat Commun, 14, 2023
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7XWM
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![BU of 7xwm by Molmil](/molmil-images/mine/7xwm) | structure of patulin-detoxifying enzyme Y155F/V187K with NADPH | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase | Authors: | Dai, L, Li, H, Hu, Y, Guo, R.T, Chen, C.C. | Deposit date: | 2022-05-26 | Release date: | 2023-04-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure-based rational design of a short-chain dehydrogenase/reductase for improving activity toward mycotoxin patulin. Int.J.Biol.Macromol., 222, 2022
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7CY0
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![BU of 7cy0 by Molmil](/molmil-images/mine/7cy0) | Crystal structure of S185H mutant PET hydrolase from Ideonella sakaiensis | Descriptor: | ACETIC ACID, Poly(ethylene terephthalate) hydrolase | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2020-09-03 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis. Nat Catal, 4, 2021
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4HC4
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![BU of 4hc4 by Molmil](/molmil-images/mine/4hc4) | Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Protein arginine N-methyltransferase 6, ... | Authors: | Dong, A, Zeng, H, He, H, El Bakkouri, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-09-28 | Release date: | 2012-10-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural basis of arginine asymmetrical dimethylation by PRMT6. Biochem. J., 473, 2016
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5YBJ
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![BU of 5ybj by Molmil](/molmil-images/mine/5ybj) | Structure of apo KANK1 ankyrin domain | Descriptor: | GLYCEROL, KN motif and ankyrin repeat domain-containing protein 1 | Authors: | Guo, Q, Liao, S, Min, J, Xu, C, Structural Genomics Consortium (SGC) | Deposit date: | 2017-09-05 | Release date: | 2017-12-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.341 Å) | Cite: | Structural basis for the recognition of kinesin family member 21A (KIF21A) by the ankyrin domains of KANK1 and KANK2 proteins. J. Biol. Chem., 293, 2018
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6V53
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![BU of 6v53 by Molmil](/molmil-images/mine/6v53) | The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000985494 | Descriptor: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2019-12-03 | Release date: | 2020-12-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000985494 To Be Published
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5YBV
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![BU of 5ybv by Molmil](/molmil-images/mine/5ybv) | The structure of the KANK2 ankyrin domain with the KIF21A peptide | Descriptor: | GLYCEROL, KN motif and ankyrin repeat domain-containing protein 2, Kinesin-like protein KIF21A, ... | Authors: | Guo, Q, Liao, S, Min, J, Xu, C, Structural Genomics Consortium (SGC) | Deposit date: | 2017-09-05 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural basis for the recognition of kinesin family member 21A (KIF21A) by the ankyrin domains of KANK1 and KANK2 proteins. J. Biol. Chem., 293, 2018
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8JI5
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![BU of 8ji5 by Molmil](/molmil-images/mine/8ji5) | Crystal structure of AetD in complex with 5-bromo-L-tryptophan and two Fe2+ | Descriptor: | 5-bromo-L-tryptophan, AetD, FE (II) ION, ... | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-05-26 | Release date: | 2023-11-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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8JI4
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![BU of 8ji4 by Molmil](/molmil-images/mine/8ji4) | Crystal structure of AetD in complex with 5-bromo-L-tryptophan | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-bromo-L-tryptophan, AetD, ... | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-05-26 | Release date: | 2023-11-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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5YBU
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![BU of 5ybu by Molmil](/molmil-images/mine/5ybu) | Structure of the KANK1 ankyrin domain in complex with KIF21A peptide | Descriptor: | KN motif and ankyrin repeat domain-containing protein 1, Kinesin-like protein KIF21A | Authors: | Guo, Q, Liao, S, Min, J, Xu, C, Structural Genomics Consortium (SGC) | Deposit date: | 2017-09-05 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural basis for the recognition of kinesin family member 21A (KIF21A) by the ankyrin domains of KANK1 and KANK2 proteins. J. Biol. Chem., 293, 2018
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6V56
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![BU of 6v56 by Molmil](/molmil-images/mine/6v56) | The crystal structure of the 2009 H1N1 PA endonuclease wild type in complex with SJ000985494 | Descriptor: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein,Polymerase acidic protein, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2019-12-03 | Release date: | 2021-02-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000985494 To Be Published
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8JI3
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![BU of 8ji3 by Molmil](/molmil-images/mine/8ji3) | Crystal structure of AetD in complex with 5,7-dibromo-L-tryptophan and two Fe2+ | Descriptor: | (2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid, AetD, FE (II) ION, ... | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-05-26 | Release date: | 2023-11-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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