1GU1
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![BU of 1gu1 by Molmil](/molmil-images/mine/1gu1) | Crystal structure of type II dehydroquinase from Streptomyces coelicolor complexed with 2,3-anhydro-quinic acid | Descriptor: | 2,3 -ANHYDRO-QUINIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, ... | Authors: | Roszak, A.W, Robinson, D.A, Krell, T, Hunter, I.S, Coggins, J.R, Lapthorn, A.J. | Deposit date: | 2002-01-22 | Release date: | 2002-04-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Structure and Mechanism of the Type II Dehydroquinase from Streptomyces Coelicolor Structure, 10, 2002
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5CYF
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![BU of 5cyf by Molmil](/molmil-images/mine/5cyf) | Crystal structure of isoform 2 of uridine phosphorylase from Schistosoma mansoni in complex with citrate | Descriptor: | CITRATE ANION, Putative uridine phosphorylase | Authors: | Romanello, L, Torini, J.R, DeMarco, R, Pereira, H.M. | Deposit date: | 2015-07-30 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.983 Å) | Cite: | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function. Biochimie, 125, 2016
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1H6R
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![BU of 1h6r by Molmil](/molmil-images/mine/1h6r) | The oxidized state of a redox sensitive variant of green fluorescent protein | Descriptor: | CHLORIDE ION, GREEN FLUORESCENT PROTEIN | Authors: | Ostergaard, H, Henriksen, A, Hansen, F.G, Winther, J.R. | Deposit date: | 2001-06-22 | Release date: | 2001-11-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Shedding Light on Disulfide Bond Formation: Engineering a Redox Switch in Green Fluorescent Protein Embo J., 20, 2001
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5CYG
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7P4A
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![BU of 7p4a by Molmil](/molmil-images/mine/7p4a) | Non-canonical Staphylococcus aureus pathogenicity island repression. | Descriptor: | Sri, Stl | Authors: | Miguel-Romero, L, Alqasmi, M, Bacarizo, J, Tan, J.A, Cogdell, R.J, Chen, J, Byron, O, Christie, G.E, Marina, A, Penades, J.R. | Deposit date: | 2021-07-10 | Release date: | 2022-07-27 | Last modified: | 2022-11-16 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Non-canonical Staphylococcus aureus pathogenicity island repression. Nucleic Acids Res., 50, 2022
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1H3I
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![BU of 1h3i by Molmil](/molmil-images/mine/1h3i) | Crystal structure of the Histone Methyltransferase SET7/9 | Descriptor: | HISTONE H3 LYSINE 4 SPECIFIC METHYLTRANSFERASE, MAGNESIUM ION | Authors: | Wilson, J.R, Jing, C, Walker, P.A, Martin, S.R, Howell, S.A, Blackburn, G.M, Gamblin, S.J, Xiao, B. | Deposit date: | 2002-09-04 | Release date: | 2002-11-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure and Functional Analysis of the Histone Methyltransferase Set7/9 Cell(Cambridge,Mass.), 111, 2002
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1GS9
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![BU of 1gs9 by Molmil](/molmil-images/mine/1gs9) | Apolipoprotein E4, 22k domain | Descriptor: | APOLIPOPROTEIN E | Authors: | Verderame, J.R, Kantardjieff, K, Segelke, B, Weisgraber, K, Rupp, B. | Deposit date: | 2002-01-02 | Release date: | 2003-06-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the 22K Domain of Human Apolipoprotein E4 To be Published
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1GTZ
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![BU of 1gtz by Molmil](/molmil-images/mine/1gtz) | Structure of STREPTOMYCES COELICOLOR TYPE II DEHYDROQUINASE R23A MUTANT IN COMPLEX WITH DEHYDROSHIKIMATE | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, 3-DEHYDROSHIKIMATE | Authors: | Roszak, A.W, Krell, T, Robinson, D.A, Hunter, I.S, Coggins, J.R, Lapthorn, A.J. | Deposit date: | 2002-01-22 | Release date: | 2002-06-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Structure and Mechanism of the Type II Dehydroquinase from Streptomyces Coelicolor Structure, 10, 2002
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1NLS
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![BU of 1nls by Molmil](/molmil-images/mine/1nls) | CONCANAVALIN A AND ITS BOUND SOLVENT AT 0.94A RESOLUTION | Descriptor: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION | Authors: | Deacon, A.M, Gleichmann, T, Helliwell, J.R, Kalb(Gilboa), A.J. | Deposit date: | 1997-01-28 | Release date: | 1997-11-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | The Structure of Concanavalin a and its Bound Solvent Determined with Small-Molecule Accuracy at 0.94 A Resolution J.Chem.Soc.,Faraday Trans., 93, 1997
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1HGX
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1GU0
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![BU of 1gu0 by Molmil](/molmil-images/mine/1gu0) | CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM STREPTOMYCES COELICOLOR | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE | Authors: | Roszak, A.W, Krell, T, Robinson, D, Hunter, I.S, Coggins, J.R, Lapthorn, A.J. | Deposit date: | 2002-01-22 | Release date: | 2002-04-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Structure and Mechanism of the Type II Dehydroquinase from Streptomyces Coelicolor Structure, 10, 2002
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1H3D
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![BU of 1h3d by Molmil](/molmil-images/mine/1h3d) | STRUCTURE OF THE E.COLI ATP-PHOSPHORIBOSYLTRANSFERASE | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP-PHOSPHORIBOSYLTRANSFERASE, L(+)-TARTARIC ACID | Authors: | Lohkamp, B, McDermott, G, Coggins, J.R, Lapthorn, A.J. | Deposit date: | 2002-08-27 | Release date: | 2003-10-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Structure of Escherichia Coli ATP-Phosphoribosyltransferase: Identification of Substrate Binding Sites and Mode of AMP Inhibition J.Mol.Biol., 336, 2004
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1HA3
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![BU of 1ha3 by Molmil](/molmil-images/mine/1ha3) | ELONGATION FACTOR TU IN COMPLEX WITH aurodox | Descriptor: | BETA-MERCAPTOETHANOL, ELONGATION FACTOR TU, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Vogeley, L, Palm, G.J, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2001-03-26 | Release date: | 2001-05-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational Change of Elongation Factor TU Induced by Antibiotic Binding: Crystal Structure of the Complex between EF-TU:Gdp and Aurodox J.Biol.Chem., 276, 2001
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1HKY
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![BU of 1hky by Molmil](/molmil-images/mine/1hky) | Solution structure of a PAN module from Eimeria tenella | Descriptor: | MICRONEME PROTEIN 5 PRECURSOR | Authors: | Brown, P.J, Mulvey, D, Potts, J.R, Tomley, F.M, Campbell, I.D. | Deposit date: | 2002-10-03 | Release date: | 2002-10-17 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Solution Structure of a Pan Module from the Apicomplexan Parasite Eimeria Tenella J.Struct.Funct.Genom., 4, 2003
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3N3K
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![BU of 3n3k by Molmil](/molmil-images/mine/3n3k) | The catalytic domain of USP8 in complex with a USP8 specific inhibitor | Descriptor: | Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Allali-Hassani, A, Lam, R, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2010-05-20 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A strategy for modulation of enzymes in the ubiquitin system. Science, 339, 2013
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1SUO
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![BU of 1suo by Molmil](/molmil-images/mine/1suo) | Structure of mammalian cytochrome P450 2B4 with bound 4-(4-chlorophenyl)imidazole | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Scott, E.E, White, M.A, He, Y.A, Johnson, E.F, Stout, C.D, Halpert, J.R. | Deposit date: | 2004-03-26 | Release date: | 2004-07-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of mammalian cytochrome P450 2B4 complexed with 4-(4-chlorophenyl)imidazole at 1.9 {angstrom} resolution: Insight into the range of P450 conformations and coordination of redox partner binding. J.Biol.Chem., 279, 2004
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1HRZ
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![BU of 1hrz by Molmil](/molmil-images/mine/1hrz) | THE 3D STRUCTURE OF THE HUMAN SRY-DNA COMPLEX SOLVED BY MULTI-DIMENSIONAL HETERONUCLEAR-EDITED AND-FILTERED NMR | Descriptor: | DNA (5'-D(*GP*CP*AP*CP*AP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*TP*GP*TP*GP*C)-3'), HUMAN SRY | Authors: | Clore, G.M, Werner, M.H, Huth, J.R, Gronenborn, A.M. | Deposit date: | 1995-05-09 | Release date: | 1995-09-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Molecular basis of human 46X,Y sex reversal revealed from the three-dimensional solution structure of the human SRY-DNA complex. Cell(Cambridge,Mass.), 81, 1995
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3QCQ
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![BU of 3qcq by Molmil](/molmil-images/mine/3qcq) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-(3-Amino-1H-indazol-6-yl)-N4-ethyl-2,4-pyrimidinediamine | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-(3-amino-2H-indazol-6-yl)-N~4~-ethylpyrimidine-2,4-diamine, GLYCEROL, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3QCY
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![BU of 3qcy by Molmil](/molmil-images/mine/3qcy) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 4-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-N-phenyl-2-morpholinecarboxamide | Descriptor: | (2S)-4-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3QCX
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![BU of 3qcx by Molmil](/molmil-images/mine/3qcx) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-{2-Amino-6-[(3R)-3-methyl-4-morpholinyl]-4-pyrimidinyl}-1H-indazol-3-amine | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine, GLYCEROL, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3QD3
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![BU of 3qd3 by Molmil](/molmil-images/mine/3qd3) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl {(3R,6S)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-3-piperidinyl}carbamate | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3QD4
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![BU of 3qd4 by Molmil](/molmil-images/mine/3qd4) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl{(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}carbamate | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, SULFATE ION, tert-butyl {(3R,5R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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1BOZ
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![BU of 1boz by Molmil](/molmil-images/mine/1boz) | STRUCTURE-BASED DESIGN AND SYNTHESIS OF LIPOPHILIC 2,4-DIAMINO-6-SUBSTITUTED QUINAZOLINES AND THEIR EVALUATION AS INHIBITORS OF DIHYDROFOLATE REDUCTASE AND POTENTIAL ANTITUMOR AGENTS | Descriptor: | N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (DIHYDROFOLATE REDUCTASE) | Authors: | Gangjee, A, Vidwans, A.P, Vasudevan, A, Queener, S.F, Kisliuk, R.L, Cody, V, Li, R, Galitsky, N, Luft, J.R, Pangborn, W. | Deposit date: | 1998-08-06 | Release date: | 1998-08-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design and synthesis of lipophilic 2,4-diamino-6-substituted quinazolines and their evaluation as inhibitors of dihydrofolate reductases and potential antitumor agents. J.Med.Chem., 41, 1998
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1C3T
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![BU of 1c3t by Molmil](/molmil-images/mine/1c3t) | |
1C57
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![BU of 1c57 by Molmil](/molmil-images/mine/1c57) | DIRECT DETERMINATION OF THE POSITIONS OF DEUTERIUM ATOMS OF BOUND WATER IN CONCANAVALIN A BY NEUTRON LAUE CRYSTALLOGRAPHY | Descriptor: | CALCIUM ION, Concanavalin-Br, MANGANESE (II) ION | Authors: | Habash, J, Raftery, J, Nuttall, R, Price, H.J, Lehmann, M.S, Wilkinson, C, Kalb, A.J, Helliwell, J.R. | Deposit date: | 1999-10-26 | Release date: | 2000-05-08 | Last modified: | 2023-12-27 | Method: | NEUTRON DIFFRACTION (2.4 Å) | Cite: | Direct determination of the positions of the deuterium atoms of the bound water in -concanavalin A by neutron Laue crystallography. Acta Crystallogr.,Sect.D, 56, 2000
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