3C7E
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![BU of 3c7e by Molmil](/molmil-images/mine/3c7e) | Crystal structure of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase from Bacillus subtilis. | Descriptor: | CALCIUM ION, Endo-1,4-beta-xylanase, FORMIC ACID, ... | Authors: | Vandermarliere, E, Bourgois, T.M, Winn, M.D, Van Campenhout, S, Volckaert, G, Strelkov, S.V, Delcour, J.A, Rabijns, A, Courtin, C.M. | Deposit date: | 2008-02-07 | Release date: | 2008-11-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural analysis of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase in complex with xylotetraose reveals a different binding mechanism compared with other members of the same family. Biochem.J., 418, 2009
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6E9R
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![BU of 6e9r by Molmil](/molmil-images/mine/6e9r) | DHF46 filament | Descriptor: | DHF46 filament | Authors: | Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D. | Deposit date: | 2018-08-01 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | De novo design of self-assembling helical protein filaments. Science, 362, 2018
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4X9T
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![BU of 4x9t by Molmil](/molmil-images/mine/4x9t) | Crystal structure of a TctC solute binding protein from Polaromonas (Bpro_3516, Target EFI-510338), no ligand | Descriptor: | CHLORIDE ION, Uncharacterized protein UPF0065 | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-11 | Release date: | 2014-12-24 | Last modified: | 2015-02-11 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystal structure of a TctC solute binding protein from Polaromonas (Bpro_3516, Target EFI-510338), no ligand To be published
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3C7G
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![BU of 3c7g by Molmil](/molmil-images/mine/3c7g) | Crystal structure of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase from Bacillus subtilis in complex with xylotetraose. | Descriptor: | CALCIUM ION, Endo-1,4-beta-xylanase, GLYCEROL, ... | Authors: | Vandermarliere, E, Bourgois, T.M, Winn, M.D, Van Campenhout, S, Volckaert, G, Strelkov, S.V, Delcour, J.A, Rabijns, A, Courtin, C.M. | Deposit date: | 2008-02-07 | Release date: | 2008-11-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structural analysis of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase in complex with xylotetraose reveals a different binding mechanism compared with other members of the same family. Biochem.J., 418, 2009
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6ELM
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![BU of 6elm by Molmil](/molmil-images/mine/6elm) | Crystal structure of the human WNK2 CCT1 domain | Descriptor: | Serine/threonine-protein kinase WNK2 | Authors: | Pinkas, D.M, Bufton, J.C, Newman, J.A, Chalk, R, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2017-09-29 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Crystal structure of the human WNK2 CCT1 domain To Be Published
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4XEQ
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![BU of 4xeq by Molmil](/molmil-images/mine/4xeq) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (Deval_0042, TARGET EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID | Descriptor: | PANTOATE, TRAP dicarboxylate transporter, DctP subunit | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-24 | Release date: | 2015-01-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (Deval_0042, TARGET EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID To be published
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4XHD
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![BU of 4xhd by Molmil](/molmil-images/mine/4xhd) | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN WITH COMPOUND-1 | Descriptor: | GLYCEROL, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Khan, J.A, Camac, D.M. | Deposit date: | 2015-01-05 | Release date: | 2015-01-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR. J.Mol.Biol., 427, 2015
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6E5T
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![BU of 6e5t by Molmil](/molmil-images/mine/6e5t) | Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiorcin (Abn-CBDO) | Descriptor: | (1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinol-binding protein 1 | Authors: | Silvaroli, J.A, Horwitz, S, Banerjee, S, Kiser, P.D, Golczak, M. | Deposit date: | 2018-07-23 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1. Acs Chem.Biol., 14, 2019
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3CB3
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![BU of 3cb3 by Molmil](/molmil-images/mine/3cb3) | Crystal structure of L-Talarate dehydratase from Polaromonas sp. JS666 complexed with Mg and L-glucarate | Descriptor: | L-GLUCARIC ACID, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-02-21 | Release date: | 2008-03-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of L-Talarate dehydratase from Polaromonas sp. JS666 complexed with Mg and L-glucarate. To be Published
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3CAY
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![BU of 3cay by Molmil](/molmil-images/mine/3cay) | Crystal structure of Lipopeptide Detergent (LPD-12) | Descriptor: | DODECYL-BETA-D-MALTOSIDE, LPD-12 | Authors: | Ho, D.N, Pomroy, N.C, Cuesta-Seijo, J.A, Prive, G.G. | Deposit date: | 2008-02-20 | Release date: | 2008-09-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of a self-assembling lipopeptide detergent at 1.20 A. Proc.Natl.Acad.Sci.USA, 105, 2008
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6E9Z
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![BU of 6e9z by Molmil](/molmil-images/mine/6e9z) | DHF119 filament | Descriptor: | DHF119 filament | Authors: | Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D. | Deposit date: | 2018-08-01 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | De novo design of self-assembling helical protein filaments. Science, 362, 2018
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4XF5
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![BU of 4xf5 by Molmil](/molmil-images/mine/4xf5) | Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound (S)-(+)-2-Amino-1-propanol. | Descriptor: | (2S)-2-aminopropan-1-ol, CHLORIDE ION, Twin-arginine translocation pathway signal | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-26 | Release date: | 2015-01-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound (S)-(+)-2-Amino-1-propanol. To be published
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6EGO
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![BU of 6ego by Molmil](/molmil-images/mine/6ego) | |
4XFR
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![BU of 4xfr by Molmil](/molmil-images/mine/4xfr) | Crystal structure of a domain of unknown function (DUF1537) from Bordetella bronchiseptica (BB3215), Target EFI-511620, with bound citrate, domain swapped dimer, space group P6522 | Descriptor: | CITRIC ACID, Uncharacterized protein | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-28 | Release date: | 2015-01-28 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars. Proc.Natl.Acad.Sci.USA, 113, 2016
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5F9T
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![BU of 5f9t by Molmil](/molmil-images/mine/5f9t) | Crystal Structure of Streptococcus pneumoniae NanC, covalent complex with a fluorinated Neu5Ac derivative | Descriptor: | (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid, 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, GLYCEROL, ... | Authors: | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | Deposit date: | 2015-12-10 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR. J.Biol.Chem., 290, 2015
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5G0S
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![BU of 5g0s by Molmil](/molmil-images/mine/5g0s) | InhA in complex with a DNA encoded library hit | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | 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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4XGJ
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![BU of 4xgj by Molmil](/molmil-images/mine/4xgj) | Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, APO structure, domain swapped dimer | Descriptor: | Uncharacterized protein | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-30 | Release date: | 2015-02-18 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars. Proc.Natl.Acad.Sci.USA, 113, 2016
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6E9T
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![BU of 6e9t by Molmil](/molmil-images/mine/6e9t) | DHF58 filament | Descriptor: | DHF58 filament | Authors: | Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D. | Deposit date: | 2018-08-01 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (5.4 Å) | Cite: | De novo design of self-assembling helical protein filaments. Science, 362, 2018
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4XDG
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![BU of 4xdg by Molmil](/molmil-images/mine/4xdg) | Crystal Structure of Quinone Reductase II in complex with 2-(4-aminophenyl)-5-methoxy-1-oxy-indol-3-one molecule | Descriptor: | (2S)-2-(4-aminophenyl)-1-hydroxy-5-methoxy-1,2-dihydro-3H-indol-3-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Sirigu, S, Nepveu, F, Vuillard, L, Ferry, G, Isabet, T, Thompson, A, Boutin, J.A. | Deposit date: | 2014-12-19 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Role of Quinone Reductase 2 in the Antimalarial Properties of Indolone-Type Derivatives. Molecules, 22, 2017
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6E5L
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![BU of 6e5l by Molmil](/molmil-images/mine/6e5l) | Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiol (abn-CBD) | Descriptor: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinol-binding protein 1 | Authors: | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | Deposit date: | 2018-07-20 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1. Acs Chem.Biol., 14, 2019
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4XFM
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![BU of 4xfm by Molmil](/molmil-images/mine/4xfm) | Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, with bound D-threonate, domain swapped dimer | Descriptor: | THREONATE ION, Uncharacterized protein | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-27 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars. Proc.Natl.Acad.Sci.USA, 113, 2016
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3BOX
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![BU of 3box by Molmil](/molmil-images/mine/3box) | Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium complexed with Mg | Descriptor: | L-rhamnonate dehydratase, MAGNESIUM ION | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-12-18 | Release date: | 2008-01-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: L-rhamnonate dehydratase. Biochemistry, 47, 2008
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4XIY
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![BU of 4xiy by Molmil](/molmil-images/mine/4xiy) | Crystal structure of ketol-acid reductoisomerase from Azotobacter | Descriptor: | DI(HYDROXYETHYL)ETHER, FE (III) ION, Ketol-acid reductoisomerase, ... | Authors: | Spatzal, T, Cahn, J.K.B, Wiig, J.A, Einsle, O, Hu, Y, Ribbe, M.W, Arnold, F.H. | Deposit date: | 2015-01-07 | Release date: | 2015-04-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases. Biochem.J., 468, 2015
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5ET4
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![BU of 5et4 by Molmil](/molmil-images/mine/5et4) | Structure of RNase A-K7H/R10H in complex with 3'-CMP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CYTIDINE-3'-MONOPHOSPHATE, Ribonuclease pancreatic | Authors: | Blanco, J.A, Salazar, V.A, Moussaoui, M, Boix, E. | Deposit date: | 2015-11-17 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of an RNase with two catalytic centers. Human RNase6 catalytic and phosphate-binding site arrangement favors the endonuclease cleavage of polymeric substrates. Biochim Biophys Acta Gen Subj, 1863, 2019
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4XDH
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![BU of 4xdh by Molmil](/molmil-images/mine/4xdh) | Crystal Structure of Quinone Reductase II in complex with a 2-(4-methoxy-phenyl)-5-methoxy-indol-3-one molecule | Descriptor: | 5-methoxy-2-(4-methoxyphenyl)-3H-indol-3-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Sirigu, S, Nepveu, F, Vuillard, L, Ferry, G, Isabet, T, Thompson, A, Boutin, J.A. | Deposit date: | 2014-12-19 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Role of Quinone Reductase 2 in the Antimalarial Properties of Indolone-Type Derivatives. Molecules, 22, 2017
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