4B8S
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![BU of 4b8s by Molmil](/molmil-images/mine/4b8s) | Crystal Structure of Thermococcus litoralis ADP-dependent Glucokinase (GK) | Descriptor: | ADENOSINE MONOPHOSPHATE, ADP-DEPENDENT GLUCOKINASE, GLYCEROL, ... | Authors: | Herrera-Morande, A, Rivas-Pardo, J.A, Fernandez, F.J, Guixe, V, Vega, M.C. | Deposit date: | 2012-08-30 | Release date: | 2013-07-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Crystal Structure, Saxs and Kinetic Mechanism of Hyperthermophilic Adp-Dependent Glucokinase from Thermococcus Litoralis Reveal a Conserved Mechanism for Catalysis. Plos One, 8, 2013
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1TB0
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![BU of 1tb0 by Molmil](/molmil-images/mine/1tb0) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | Descriptor: | CHLORIDE ION, Carbonic anhydrase II, ZINC ION | Authors: | Fisher, Z, Hernandez Prada, J.A, Tu, C, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | Deposit date: | 2004-05-19 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and kinetic characterization of active-site histidine as a proton shuttle in catalysis by human carbonic anhydrase II. Biochemistry, 44, 2005
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1T6E
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![BU of 1t6e by Molmil](/molmil-images/mine/1t6e) | Crystal Structure of the Triticum aestivum xylanase inhibitor I | Descriptor: | GLYCEROL, xylanase inhibitor | Authors: | Sansen, S, De Ranter, C.J, Gebruers, K, Brijs, K, Courtin, C.M, Delcour, J.A, Rabijns, A. | Deposit date: | 2004-05-06 | Release date: | 2004-09-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for inhibition of Aspergillus niger xylanase by triticum aestivum xylanase inhibitor-I J.Biol.Chem., 279, 2004
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3EAH
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![BU of 3eah by Molmil](/molmil-images/mine/3eah) | Structure of inhibited human eNOS oxygenase domain | Descriptor: | (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-25 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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1T9A
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![BU of 1t9a by Molmil](/molmil-images/mine/1t9a) | Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, tribenuron methyl | Descriptor: | 2-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}PROPANE-1-THIOL, 5-{[ETHYL(METHYL)AMINO]METHYL}-2-METHYL-5,6-DIHYDROPYRIMIDIN-4-AMINE, Acetolactate synthase, ... | Authors: | McCourt, J.A, Pang, S.S, Guddat, L.W, Duggleby, R.G. | Deposit date: | 2004-05-16 | Release date: | 2004-12-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase. Biochemistry, 44, 2005
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1TE3
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![BU of 1te3 by Molmil](/molmil-images/mine/1te3) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | Descriptor: | CHLORIDE ION, Carbonic anhydrase II, ZINC ION | Authors: | Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | Deposit date: | 2004-05-24 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
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4B14
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![BU of 4b14 by Molmil](/molmil-images/mine/4b14) | Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 26) | Descriptor: | 2-oxopentadecyl-CoA, 3-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate, CHLORIDE ION, ... | Authors: | Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | Deposit date: | 2012-07-06 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery. J.Med.Chem., 55, 2012
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1TEQ
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![BU of 1teq by Molmil](/molmil-images/mine/1teq) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | Descriptor: | Carbonic anhydrase II, HYDROXIDE ION, ZINC ION | Authors: | Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | Deposit date: | 2004-05-25 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
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3GLX
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![BU of 3glx by Molmil](/molmil-images/mine/3glx) | Crystal Structure Analysis of the DtxR(E175K) complexed with Ni(II) | Descriptor: | Diphtheria toxin repressor, NICKEL (II) ION, PHOSPHATE ION | Authors: | D'Aquino, J.A, Denninger, A, Moulin, A, D'Aquino, K.E, Ringe, D. | Deposit date: | 2009-03-12 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Decreased sensitivity to changes in the concentration of metal ions as the basis for the hyperactivity of DtxR(E175K). J.Mol.Biol., 390, 2009
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3GYH
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![BU of 3gyh by Molmil](/molmil-images/mine/3gyh) | Crystal Structure Analysis of S. Pombe ATL in complex with damaged DNA containing POB | Descriptor: | 1-PYRIDIN-3-YLBUTAN-1-ONE, Alkyltransferase-like protein 1, DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'), ... | Authors: | Tubbs, J.L, Arvai, A.S, Tainer, J.A, Shin, D.S. | Deposit date: | 2009-04-03 | Release date: | 2009-06-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Flipping of alkylated DNA damage bridges base and nucleotide excision repair. Nature, 459, 2009
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1W3A
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![BU of 1w3a by Molmil](/molmil-images/mine/1w3a) | Three dimensional structure of a novel pore-forming lectin from the mushroom Laetiporus sulphureus | Descriptor: | GLYCEROL, HEMOLYTIC LECTIN LSLA, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Mancheno, J.M, Tateno, H, Goldstein, I.J, Martinez-Ripoll, M, Hermoso, J.A. | Deposit date: | 2004-07-14 | Release date: | 2005-02-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural Analysis of the Laetiporus Sulphureus Hemolytic Pore-Forming Lectin in Complex with Sugars J.Biol.Chem., 280, 2005
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4B24
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![BU of 4b24 by Molmil](/molmil-images/mine/4b24) | Unprecedented sculpting of DNA at abasic sites by DNA glycosylase homolog Mag2 | Descriptor: | 5'-D(*CP*GP*AP*TP*AP*GP*GP*TP*AP*GP)-3', 5'-D(*GP*CP*TP*AP*CP*3DRP*TP*AP*TP*CP*GP)-3', PROBABLE DNA-3-METHYLADENINE GLYCOSYLASE 2 | Authors: | Dalhus, B, Nilsen, L, Korvald, H, Huffman, J, Forstrom, R.J, McMurray, C.T, Alseth, I, Tainer, J.A, Bjoras, M. | Deposit date: | 2012-07-12 | Release date: | 2013-01-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Sculpting of DNA at Abasic Sites by DNA Glycosylase Homolog Mag2. Structure, 21, 2013
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4AXT
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![BU of 4axt by Molmil](/molmil-images/mine/4axt) | CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME FROM AN AUTO HARVESTED CRYSTAL, Control Experiment | Descriptor: | LYSOZYME C | Authors: | Cipriani, F, Rower, M, Landret, C, Zander, U, Felisaz, F, Marquez, J.A. | Deposit date: | 2012-06-14 | Release date: | 2012-10-24 | Last modified: | 2015-02-04 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal Direct: A New Method for Automated Crystal Harvesting Based on Laser-Induced Photoablation of Thin Films Acta Crystallogr.,Sect.D, 68, 2012
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4B0Z
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![BU of 4b0z by Molmil](/molmil-images/mine/4b0z) | Crystal structure of S. pombe Rpn12 | Descriptor: | 26S PROTEASOME REGULATORY SUBUNIT RPN12, GLYCEROL, MONOTHIOGLYCEROL, ... | Authors: | Boehringer, J, Riedinger, C, Paraskevopoulos, K, Johnson, E.O.D, Lowe, E.D, Khoudian, C, Smith, D, Noble, M.E.M, Gordon, C, Endicott, J.A. | Deposit date: | 2012-07-06 | Release date: | 2012-09-12 | Last modified: | 2012-11-07 | Method: | X-RAY DIFFRACTION (1.585 Å) | Cite: | Structural and Functional Characterisation of Rpn12 Identifies Residues Required for Rpn10 Proteasome Incorporation. Biochem.J., 448, 2012
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4B23
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![BU of 4b23 by Molmil](/molmil-images/mine/4b23) | Unprecedented sculpting of DNA at abasic sites by DNA glycosylase homolog Mag2 | Descriptor: | 5'-D(*CP*GP*AP*TP*TP*GP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP*(3DR)P*AP*AP*TP*CP*GP)-3', MAG2, ... | Authors: | Dalhus, B, Nilsen, L, Korvald, H, Huffman, J, Forstrom, R.J, McMurray, C.T, Alseth, I, Tainer, J.A, Bjoras, M. | Deposit date: | 2012-07-12 | Release date: | 2013-01-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Sculpting of DNA at Abasic Sites by DNA Glycosylase Homolog Mag2. Structure, 21, 2013
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4AXR
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![BU of 4axr by Molmil](/molmil-images/mine/4axr) | CRYSTAL STRUCTURE OF thaumatin FROM A AUTO-HARVESTED CRYSTAL | Descriptor: | L(+)-TARTARIC ACID, THAUMATIN-1 | Authors: | Cipriani, F, Rower, M, Landret, C, Zander, U, Felisaz, F, Marquez, J.A. | Deposit date: | 2012-06-14 | Release date: | 2012-10-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Crystal Direct: A New Method for Automated Crystal Harvesting Based on Laser-Induced Photoablation of Thin Films Acta Crystallogr.,Sect.D, 68, 2012
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4B0D
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![BU of 4b0d by Molmil](/molmil-images/mine/4b0d) | CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME FROM AN AUTO HARVESTED CRYSTAL | Descriptor: | LYSOZYME C | Authors: | Cipriani, F, Rower, M, Landret, C, Zander, U, Felisaz, F, Marquez, J.A. | Deposit date: | 2012-07-02 | Release date: | 2012-10-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal Direct: A New Method for Automated Crystal Harvesting Based on Laser-Induced Photoablation of Thin Films Acta Crystallogr.,Sect.D, 68, 2012
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3H94
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![BU of 3h94 by Molmil](/molmil-images/mine/3h94) | Crystal structure of the membrane fusion protein CusB from Escherichia coli | Descriptor: | Cation efflux system protein cusB, SILVER ION | Authors: | Su, C.-C, Yang, F, Long, F, Reyon, D, Routh, M.D, Kuo, D.W, Mokhtari, A.K, Van Ornam, J.D, Rabe, K.L, Hoy, J.A, Lee, Y.J, Rajashankar, K.R, Yu, E.W. | Deposit date: | 2009-04-30 | Release date: | 2009-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.84 Å) | Cite: | Crystal structure of the membrane fusion protein CusB from Escherichia coli J.Mol.Biol., 393, 2009
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4BCF
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![BU of 4bcf by Molmil](/molmil-images/mine/4bcf) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1 | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-01-09 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (3.011 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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4BCQ
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![BU of 4bcq by Molmil](/molmil-images/mine/4bcq) | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2 | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-01-09 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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3HBG
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![BU of 3hbg by Molmil](/molmil-images/mine/3hbg) | Structure of recombinant Chicken Liver Sulfite Oxidase mutant C185S | Descriptor: | HYDROXY(DIOXO)MOLYBDENUM, PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER, Sulfite Oxidase mutant C185S | Authors: | Qiu, J.A. | Deposit date: | 2009-05-04 | Release date: | 2010-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structures of the C185S and C185A mutants of sulfite oxidase reveal rearrangement of the active site. Biochemistry, 49, 2010
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3H5F
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![BU of 3h5f by Molmil](/molmil-images/mine/3h5f) | Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides. | Descriptor: | ACETATE ION, CHLORIDE ION, COIL SER L16L-Pen, ... | Authors: | Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. | Deposit date: | 2009-04-22 | Release date: | 2009-07-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides. Angew.Chem.Int.Ed.Engl., 48, 2009
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3HCL
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![BU of 3hcl by Molmil](/molmil-images/mine/3hcl) | Helical superstructures in a DNA oligonucleotide crystal | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*AP*T)-3') | Authors: | De Luchi, D, Martinez de Ilarduya, I, Subirana, J.A, Uson, I, Campos, J.L. | Deposit date: | 2009-05-06 | Release date: | 2010-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | A geometric approach to the crystallographic solution of nonconventional DNA structures: helical superstructures of d(CGATAT) Angew.Chem.Int.Ed.Engl., 49, 2010
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3WIP
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![BU of 3wip by Molmil](/molmil-images/mine/3wip) | Crystal structure of acetylcholine bound to Ls-AChBP | Descriptor: | ACETATE ION, ACETYLCHOLINE, Acetylcholine-binding protein, ... | Authors: | Olsen, J.A, Balle, T, Gajhede, M, Ahring, P.K, Kastrup, J.S. | Deposit date: | 2013-09-24 | Release date: | 2014-04-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular recognition of the neurotransmitter acetylcholine by an acetylcholine binding protein reveals determinants of binding to nicotinic acetylcholine receptors Plos One, 9, 2014
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4AXU
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![BU of 4axu by Molmil](/molmil-images/mine/4axu) | CRYSTAL STRUCTURE OF THAUMATIN FROM AN AUTO-HARVESTED CRYSTAL, control experiment | Descriptor: | THAUMATIN-1 | Authors: | Cipriani, F, Rower, M, Landret, C, Zander, U, Felisaz, F, Marquez, J.A. | Deposit date: | 2012-06-14 | Release date: | 2012-10-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Crystal Direct: A New Method for Automated Crystal Harvesting Based on Laser-Induced Photoablation of Thin Films Acta Crystallogr.,Sect.D, 68, 2012
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