3B6W
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1MYJ
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![BU of 1myj by Molmil](/molmil-images/mine/1myj) | DISTAL POLARITY IN LIGAND BINDING TO MYOGLOBIN: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF A THREONINE68(E11) MUTANT | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Smerdon, S.J, Oldfield, T.J, Wilkinson, A.J, Dauter, Z, Petratos, K, Wilson, K.S. | Deposit date: | 1992-02-27 | Release date: | 1994-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Distal pocket polarity in ligand binding to myoglobin: structural and functional characterization of a threonine68(E11) mutant. Biochemistry, 30, 1991
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1S50
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5FUO
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5FUZ
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2LKS
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![BU of 2lks by Molmil](/molmil-images/mine/2lks) | Ff11-60 | Descriptor: | Pre-mRNA-processing factor 40 homolog A | Authors: | Barette, J, Velyvis, A, Religa, T.L, Korzhnev, D.M, Kay, L.E. | Deposit date: | 2011-10-19 | Release date: | 2012-01-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Cross-Validation of the Structure of a Transiently Formed and Low Populated FF Domain Folding Intermediate Determined by Relaxation Dispersion NMR and CS-Rosetta. J.Phys.Chem.B, 116, 2012
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1SD3
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3QZX
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![BU of 3qzx by Molmil](/molmil-images/mine/3qzx) | 3D Structure of ferric methanosarcina acetivorans protoglobin Y61A mutant with unknown ligand | Descriptor: | GLYCEROL, Methanosarcina acetivorans protoglobin, PHOSPHATE ION, ... | Authors: | Pesce, A, Tilleman, L, Dewilde, S, Ascenzi, P, Coletta, M, Ciaccio, C, Bruno, S, Moens, L, Bolognesi, M, Nardini, M. | Deposit date: | 2011-03-07 | Release date: | 2011-06-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural heterogeneity and ligand gating in ferric methanosarcina acetivorans protoglobin mutants. Iubmb Life, 63, 2011
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1PBP
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![BU of 1pbp by Molmil](/molmil-images/mine/1pbp) | FINE TUNING OF THE SPECIFICITY OF THE PERIPLASMIC PHOSPHATE TRANSPORT RECEPTOR: SITE-DIRECTED MUTAGENESIS, LIGAND BINDING, AND CRYSTALLOGRAPHIC STUDIES | Descriptor: | PHOSPHATE ION, PHOSPHATE-BINDING PROTEIN | Authors: | Wang, Z, Choudhary, A, Ledvina, P.S, Quiocho, F.A. | Deposit date: | 1994-07-20 | Release date: | 1994-10-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fine tuning the specificity of the periplasmic phosphate transport receptor. Site-directed mutagenesis, ligand binding, and crystallographic studies. J.Biol.Chem., 269, 1994
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1YMA
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4B2Y
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![BU of 4b2y by Molmil](/molmil-images/mine/4b2y) | Probing the active center of catalase-phenol oxidase from Scytalidium thermophilum | Descriptor: | CALCIUM ION, CATALASE-PHENOL OXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yuzugullu, Y, Trinh, C.H, Pearson, A.R, Ogel, Z.B, McPherson, M.J. | Deposit date: | 2012-07-19 | Release date: | 2013-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Investigating the Active Centre of the Scytalidium Thermophilum Catalase Acta Crystallogr.,Sect.F, 69, 2013
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3TGS
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![BU of 3tgs by Molmil](/molmil-images/mine/3tgs) | Crystal structure of HIV-1 clade C strain C1086 gp120 core in complex with NBD-556 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade C1086 gp120 core, N-(4-chlorophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide | Authors: | Kwon, Y.D, Kwong, P.D. | Deposit date: | 2011-08-17 | Release date: | 2012-04-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops. Proc.Natl.Acad.Sci.USA, 109, 2012
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4B40
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![BU of 4b40 by Molmil](/molmil-images/mine/4b40) | Probing the active center of catalase-phenol oxidase from Scytalidium thermophilum | Descriptor: | CALCIUM ION, CATALASE-PHENOL OXIDASE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE | Authors: | Yuzugullu, Y, Trinh, C.H, Pearson, A.R, Ogel, Z.B, McPherson, M.J. | Deposit date: | 2012-07-27 | Release date: | 2013-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Investigating the Active Centre of the Scytalidium Thermophilum Catalase Acta Crystallogr.,Sect.F, 69, 2013
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2REA
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2XJA
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![BU of 2xja by Molmil](/molmil-images/mine/2xja) | Structure of MurE from M.tuberculosis with dipeptide and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, UDP-N-ACETYLMURAMOYL-L-ALANYL-D-GLUTAMATE--2,6-DIAMINOPIMELATE LIGASE, ... | Authors: | Basavannacharya, C, Moody, P.R, Bhakta, S, Keep, N. | Deposit date: | 2010-07-03 | Release date: | 2010-08-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Essential Residues for the Enzyme Activity of ATP-Dependent Mure Ligase from Mycobacterium Tuberculosis. Protein Cell, 1, 2010
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4B5K
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![BU of 4b5k by Molmil](/molmil-images/mine/4b5k) | Probing the active center of catalase-phenol oxidase from Scytalidium thermophilum | Descriptor: | CALCIUM ION, CATALASE-PHENOL OXIDASE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE | Authors: | Yuzugullu, Y, Trinh, C.H, Pearson, A.R, Ogel, Z.B, McPherson, M.J. | Deposit date: | 2012-08-03 | Release date: | 2013-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Investigating the Active Centre of the Scytalidium Thermophilum Catalase Acta Crystallogr.,Sect.F, 69, 2013
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4B31
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![BU of 4b31 by Molmil](/molmil-images/mine/4b31) | Probing the active center of catalase-phenol oxidase from Scytalidium thermophilum | Descriptor: | CALCIUM ION, CATALASE-PHENOL OXIDASE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE | Authors: | Yuzugullu, Y, Trinh, C.H, Pearson, A.R, Ogel, Z.B, McPherson, M.J. | Deposit date: | 2012-07-20 | Release date: | 2013-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Investigating the Active Centre of the Scytalidium Thermophilum Catalase Acta Crystallogr.,Sect.F, 69, 2013
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1OYB
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![BU of 1oyb by Molmil](/molmil-images/mine/1oyb) | OLD YELLOW ENZYME AT 2 ANGSTROMS RESOLUTION: OVERALL STRUCTURE, LIGAND BINDING AND COMPARISON WITH RELATED FLAVOPROTEINS | Descriptor: | FLAVIN MONONUCLEOTIDE, OLD YELLOW ENZYME, P-HYDROXYBENZALDEHYDE | Authors: | Fox, K.M, Karplus, P.A. | Deposit date: | 1994-08-25 | Release date: | 1994-11-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Old yellow enzyme at 2 A resolution: overall structure, ligand binding, and comparison with related flavoproteins. Structure, 2, 1994
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1OYA
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5BUE
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![BU of 5bue by Molmil](/molmil-images/mine/5bue) | ERK2 complexed with N-benzylpyridone tetrahydroazaindazole | Descriptor: | 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1, NICKEL (II) ION | Authors: | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | Deposit date: | 2015-06-03 | Release date: | 2015-07-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase. Bioorg.Med.Chem.Lett., 25, 2015
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1OYC
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3OED
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5FRB
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![BU of 5frb by Molmil](/molmil-images/mine/5frb) | Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with a tetrazole-based inhibitor VT-1598 | Descriptor: | (R)-4-((4-((6-(2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1H-tetrazol-1-yl)propyl)pyridin-3-yl)ethynyl)phenoxy)methyl)benzonitrile, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE, ... | Authors: | Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | Deposit date: | 2015-12-16 | Release date: | 2017-04-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystal Structure of the New Investigational Drug Candidate VT-1598 in Complex with Aspergillus fumigatus Sterol 14 alpha-Demethylase Provides Insights into Its Broad-Spectrum Antifungal Activity. Antimicrob. Agents Chemother., 61, 2017
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2HJE
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1EJC
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![BU of 1ejc by Molmil](/molmil-images/mine/1ejc) | Crystal structure of unliganded mura (type2) | Descriptor: | GLYCEROL, PHOSPHATE ION, UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYLTRANSFERASE | Authors: | Eschenburg, S, Schonbrunn, E. | Deposit date: | 2000-03-02 | Release date: | 2000-10-25 | Last modified: | 2011-07-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Comparative X-ray analysis of the un-liganded fosfomycin-target murA. Proteins, 40, 2000
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