1ZAB
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![BU of 1zab by Molmil](/molmil-images/mine/1zab) | Crystal Structure of Mouse Cytidine Deaminase Complexed with 3-Deazauridine | Descriptor: | 1-((2R,3R,4S,5R)-TETRAHYDRO-3,4-DIHYDROXY-5-(HYDROXYMETHYL)FURAN-2-YL)PYRIDINE-2,4(1H,3H)-DIONE, Cytidine deaminase, SULFATE ION, ... | Authors: | Teh, A.H. | Deposit date: | 2005-04-06 | Release date: | 2006-04-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | The 1.48 A Resolution Crystal Structure of the Homotetrameric Cytidine Deaminase from Mouse Biochemistry, 45, 2006
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278D
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![BU of 278d by Molmil](/molmil-images/mine/278d) | |
2YM4
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![BU of 2ym4 by Molmil](/molmil-images/mine/2ym4) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1, ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | Deposit date: | 2011-06-06 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM5
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![BU of 2ym5 by Molmil](/molmil-images/mine/2ym5) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | (3-{4-[(2S)-2-(AMINOMETHYL)MORPHOLIN-4-YL]-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}PHENYL)METHANOL, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | Deposit date: | 2011-06-06 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM6
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![BU of 2ym6 by Molmil](/molmil-images/mine/2ym6) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 1,2-ETHANEDIOL, 1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | Deposit date: | 2011-06-06 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM3
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![BU of 2ym3 by Molmil](/molmil-images/mine/2ym3) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 1,2-ETHANEDIOL, ETHYL 4-(2-(AMINOMETHYL)MORPHOLINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | Deposit date: | 2011-06-06 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.007 Å) | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM8
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![BU of 2ym8 by Molmil](/molmil-images/mine/2ym8) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | (R)-5-(8-CHLOROISOQUINOLIN-3-YLAMINO)-3-(1-(DIMETHYLAMINO)PROPAN-2-YLOXY)PYRAZINE-2-CARBONITRILE, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | Deposit date: | 2011-06-06 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM7
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![BU of 2ym7 by Molmil](/molmil-images/mine/2ym7) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 1,2-ETHANEDIOL, 5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | Deposit date: | 2011-06-06 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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4I61
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![BU of 4i61 by Molmil](/molmil-images/mine/4i61) | |
4OBV
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![BU of 4obv by Molmil](/molmil-images/mine/4obv) | Ruminococcus gnavus tryptophan decarboxylase RUMGNA_01526 (alpha-FMT) | Descriptor: | Pyridoxal-dependent decarboxylase domain protein, alpha-(fluoromethyl)-D-tryptophan, {5-hydroxy-4-[(1E)-4-(1H-indol-3-yl)-3-oxobut-1-en-1-yl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate | Authors: | Fraser, J.S, Van Benschoten, A.H. | Deposit date: | 2014-01-07 | Release date: | 2014-10-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Discovery and Characterization of Gut Microbiota Decarboxylases that Can Produce the Neurotransmitter Tryptamine. Cell Host Microbe, 16, 2014
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4J4M
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![BU of 4j4m by Molmil](/molmil-images/mine/4j4m) | Crystal structure of TM-1, a Trimeresurus mucrosquamatus venom metalloproteinase | Descriptor: | ZINC ION, zinc-dependent metalloproteinase | Authors: | Chou, T.L, Wu, C.H, Huang, K.F, Wang, A.H. | Deposit date: | 2013-02-07 | Release date: | 2013-07-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a Trimeresurus mucrosquamatus venom metalloproteinase providing new insights into the inhibition by endogenous tripeptide inhibitors. Toxicon, 71C, 2013
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4OBU
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![BU of 4obu by Molmil](/molmil-images/mine/4obu) | |
4K40
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![BU of 4k40 by Molmil](/molmil-images/mine/4k40) | Peptidoglycan O-acetylesterase in action, 0 min | Descriptor: | GDSL-like Lipase/Acylhydrolase family protein | Authors: | Williams, A.H, Gompert Boneca, I. | Deposit date: | 2013-04-11 | Release date: | 2014-09-03 | Last modified: | 2017-06-21 | Method: | X-RAY DIFFRACTION (2.634 Å) | Cite: | Visualization of a substrate-induced productive conformation of the catalytic triad of the Neisseria meningitidis peptidoglycan O-acetylesterase reveals mechanistic conservation in SGNH esterase family members. Acta Crystallogr.,Sect.D, 70, 2014
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4J5P
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![BU of 4j5p by Molmil](/molmil-images/mine/4j5p) | Crystal Structure of a Covalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase | Descriptor: | (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Otrubova, K, Brown, M, McCormick, M.S, Han, G.W, O'Neal, S.T, Cravatt, B.F, Stevens, R.C, Lichtman, A.H, Boger, D.L. | Deposit date: | 2013-02-08 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational design of Fatty Acid amide hydrolase inhibitors that act by covalently bonding to two active site residues. J.Am.Chem.Soc., 135, 2013
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4N79
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![BU of 4n79 by Molmil](/molmil-images/mine/4n79) | Structure of Cathepsin K-dermatan sulfate complex | Descriptor: | Cathepsin K, alpha-L-idopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-alpha-L-idopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-alpha-L-idopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose | Authors: | Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D. | Deposit date: | 2013-10-15 | Release date: | 2014-11-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural basis of collagen fiber degradation by cathepsin K. Proc.Natl.Acad.Sci.USA, 111, 2014
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4P14
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![BU of 4p14 by Molmil](/molmil-images/mine/4p14) | Crystal structure of Canavalia brasiliensis (ConBr) complexed with adenine | Descriptor: | 1,2-ETHANEDIOL, ADENINE, CALCIUM ION, ... | Authors: | Delatorre, P, Rocha, B.A.M, Silva-Filho, J.C, Teixeira, C.S, Cavada, B.S, Nascimento, K.S, Neto, I.L.B, Nobrega, R.B, Nagano, C.S, Sampaio, A.H, Holanda, E, Leal, R.B. | Deposit date: | 2014-02-24 | Release date: | 2015-04-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of Canavalia brasiliensis (ConBr) complexed with adenine To Be Published
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4PCR
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![BU of 4pcr by Molmil](/molmil-images/mine/4pcr) | Crystal structure of Canavalia brasiliensis seed lectin (ConBr) complexed with Gamma-Aminobutyric Acid (GABA) | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Concanavalin-Br, ... | Authors: | Delatorre, P, Rocha, B.A.M, Silva-Filho, J.C, Teixeira, C.S, Cavada, B.S, Nascimento, K.S, Nbrega, R.B, Nagano, C.S, Sampaio, A.H, Leal, R.B, Neto, I.L.B. | Deposit date: | 2014-04-16 | Release date: | 2015-04-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of Canavalia brasiliensis seed lectin (ConBr) complexed with Gamma-Aminobutyric Acid (GABA) To Be Published
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4K09
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![BU of 4k09 by Molmil](/molmil-images/mine/4k09) | |
4K06
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![BU of 4k06 by Molmil](/molmil-images/mine/4k06) | Crystal structure of MTX-II from Bothrops brazili venom complexed with polyethylene glycol | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, MTX-II, ... | Authors: | Fernandes, C.A.H, Comparetti, E.J, Borges, R.J, Fontes, M.R.M. | Deposit date: | 2013-04-03 | Release date: | 2013-11-13 | Last modified: | 2013-11-27 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural bases for a complete myotoxic mechanism: Crystal structures of two non-catalytic phospholipases A2-like from Bothrops brazili venom. Biochim.Biophys.Acta, 1834, 2013
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4K9S
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![BU of 4k9s by Molmil](/molmil-images/mine/4k9s) | Peptidoglycan O-acetylesterase in action, setmet | Descriptor: | GDSL-like Lipase/Acylhydrolase family protein | Authors: | Williams, A.H, Gompert Boneca, I. | Deposit date: | 2013-04-21 | Release date: | 2014-09-03 | Last modified: | 2014-10-22 | Method: | X-RAY DIFFRACTION (2.334 Å) | Cite: | Visualization of a substrate-induced productive conformation of the catalytic triad of the Neisseria meningitidis peptidoglycan O-acetylesterase reveals mechanistic conservation in SGNH esterase family members. Acta Crystallogr.,Sect.D, 70, 2014
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4KYI
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![BU of 4kyi by Molmil](/molmil-images/mine/4kyi) | Crystal structure of the phospholipase VipD from Legionella pneumophila in complex with the human GTPase Rab5 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Lucas, M, Gaspar, A.H, Pallara, C, Rojas, A.L, Fernandez-Recio, J, Machner, M.P, Hierro, A. | Deposit date: | 2013-05-29 | Release date: | 2014-08-13 | Last modified: | 2015-07-29 | Method: | X-RAY DIFFRACTION (3.075 Å) | Cite: | Structural basis for the recruitment and activation of the Legionella phospholipase VipD by the host GTPase Rab5. Proc.Natl.Acad.Sci.USA, 111, 2014
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4L8Q
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![BU of 4l8q by Molmil](/molmil-images/mine/4l8q) | Crystal structure of Canavalia grandiflora seed lectin complexed with X-Man. | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CADMIUM ION, CALCIUM ION, ... | Authors: | Barroso-Neto, I.L, Rocha, B.A.M, Simoes, R.C, Bezerra, M.J.B, Pereira-Junior, F.N, Osterne, V.J.S, Nascimento, K.S, Nagano, C.S, Delatorre, P, Sampaio, A.H, Cavada, B.S. | Deposit date: | 2013-06-17 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Vasorelaxant activity of Canavalia grandiflora seed lectin: A structural analysis. Arch.Biochem.Biophys., 543, 2014
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4QIF
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![BU of 4qif by Molmil](/molmil-images/mine/4qif) | Crystal Structure of PduA with edge mutation K26A and pore mutation S40H | Descriptor: | D(-)-TARTARIC ACID, GLYCEROL, POTASSIUM ION, ... | Authors: | Pang, A.H, Sawaya, M.R, Yeates, T.O. | Deposit date: | 2014-05-30 | Release date: | 2015-02-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9951 Å) | Cite: | Selective molecular transport through the protein shell of a bacterial microcompartment organelle. Proc.Natl.Acad.Sci.USA, 112, 2015
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4KNB
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![BU of 4knb by Molmil](/molmil-images/mine/4knb) | C-Met in complex with OSI ligand | Descriptor: | 7-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor | Authors: | Wang, J, Steinig, A.G, Li, A.H, Chen, X, Dong, H, Ferraro, C, Jin, M, Kadalbajoo, M, Kleinberg, A, Stolz, K.M, Tavares-Greco, P.A, Wang, T, Albertella, M.R, Peng, Y, Crew, L, Kahler, J. | Deposit date: | 2013-05-09 | Release date: | 2014-04-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases. Bioorg.Med.Chem.Lett., 23, 2013
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4KDP
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![BU of 4kdp by Molmil](/molmil-images/mine/4kdp) | TcaR-ssDNA complex crystal structure reveals the novel ssDNA binding mechanism of the MarR family proteins | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*CP*GP*CP*AP*GP*CP*GP*CP*GP*CP*AP*GP*CP*CP*CP*TP*A)-3'), ... | Authors: | Chang, Y.M, Chen, C.K.-M, Wang, A.H.-J. | Deposit date: | 2013-04-25 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | TcaR-ssDNA complex crystal structure reveals new DNA binding mechanism of the MarR family proteins. Nucleic Acids Res., 42, 2014
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