4OME
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![BU of 4ome by Molmil](/molmil-images/mine/4ome) | X-ray structure of human glutamate carboxypeptidase II in complex with DCCBL, a urea based inhibitor with distal carborane moiety | Descriptor: | (S)-2-(3-((S)-1-carboxy-5-(1,2-dicarba-closo-dodecarboranylamido) pentyl)ureido)pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Barinka, C, Ptacek, J, Novakova, Z, Byun, Y. | Deposit date: | 2014-01-27 | Release date: | 2015-02-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | X-ray structure of human glutamate carboxypeptidase II in complex with DCCBL, a urea based inhibitor with distal carborane moiety To be Published
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3UQO
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![BU of 3uqo by Molmil](/molmil-images/mine/3uqo) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | Descriptor: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, Cationic trypsin | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-11-21 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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4OLV
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![BU of 4olv by Molmil](/molmil-images/mine/4olv) | |
3UQZ
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2RG0
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![BU of 2rg0 by Molmil](/molmil-images/mine/2rg0) | Crystal structure of cellobiohydrolase from Melanocarpus albomyces complexed with cellotetraose | Descriptor: | Cellulose 1,4-beta-cellobiosidase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Parkkinen, T, Koivula, A, Vehmaanper, J, Rouvinen, J. | Deposit date: | 2007-10-02 | Release date: | 2008-09-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of Melanocarpus albomyces cellobiohydrolase Cel7B in complex with cello-oligomers show high flexibility in the substrate binding Protein Sci., 17, 2008
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4OMH
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![BU of 4omh by Molmil](/molmil-images/mine/4omh) | Crystal structure of the bacterial diterpene cyclase COTB2 variant F149L | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Geranylgeranyl diphosphate cyclase, SODIUM ION | Authors: | Janke, R, Goerner, C, Hirte, M, Brueck, T, Loll, B. | Deposit date: | 2014-01-27 | Release date: | 2014-06-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | The first structure of a bacterial diterpene cyclase: CotB2. Acta Crystallogr.,Sect.D, 70, 2014
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3URB
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![BU of 3urb by Molmil](/molmil-images/mine/3urb) | Crystal Structure of PTE mutant H254G/H257W/L303T/M317L/I106C/F132I/L271I/K185R/I274N/A80V/R67H | Descriptor: | COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, IMIDAZOLE, ... | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | Deposit date: | 2011-11-21 | Release date: | 2012-08-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry, 51, 2012
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4OMZ
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3UMY
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4OO7
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![BU of 4oo7 by Molmil](/molmil-images/mine/4oo7) | THE 1.55A CRYSTAL STRUCTURE of NAF1 (MINER1): THE REDOX-ACTIVE 2FE-2S PROTEIN | Descriptor: | CDGSH iron-sulfur domain-containing protein 2, FE2/S2 (INORGANIC) CLUSTER | Authors: | Tamir, S, Eisenberg-Domovich, Y, Colman, A.R, Stofleth, J.T, Lipper, C.H, Paddock, M.L, Jenning, P.A, Livnah, O, Nechushtai, R. | Deposit date: | 2014-01-31 | Release date: | 2014-07-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A point mutation in the [2Fe-2S] cluster binding region of the NAF-1 protein (H114C) dramatically hinders the cluster donor properties. Acta Crystallogr.,Sect.D, 70, 2014
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3URO
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![BU of 3uro by Molmil](/molmil-images/mine/3uro) | Poliovirus receptor CD155 D1D2 | Descriptor: | Poliovirus receptor | Authors: | Zhang, P, Mueller, S, Morais, M.C, Bator, C.M, Bowman, V.D, Hafenstein, S, Wimmer, E, Rossmann, M.G. | Deposit date: | 2011-11-22 | Release date: | 2011-12-07 | Method: | X-RAY DIFFRACTION (3.5005 Å) | Cite: | Crystal structure of CD155 and electron microscopic studies of its complexes with polioviruses. Proc.Natl.Acad.Sci.USA, 105, 2008
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3US1
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3UNB
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![BU of 3unb by Molmil](/molmil-images/mine/3unb) | Mouse constitutive 20S proteasome in complex with PR-957 | Descriptor: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | Authors: | Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M. | Deposit date: | 2011-11-15 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity. Cell(Cambridge,Mass.), 148, 2012
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3USR
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![BU of 3usr by Molmil](/molmil-images/mine/3usr) | Structure of Y194F glycogenin mutant truncated at residue 270 | Descriptor: | CHLORIDE ION, GLYCEROL, Glycogenin-1 | Authors: | Issoglio, F.M, Carrizo, M.E, Romero, J.M, Curtino, J.A. | Deposit date: | 2011-11-23 | Release date: | 2011-12-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanisms of monomeric and dimeric glycogenin autoglucosylation. J.Biol.Chem., 287, 2012
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4OOK
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![BU of 4ook by Molmil](/molmil-images/mine/4ook) | Third Metal bound M.tuberculosis methionine aminopeptidase | Descriptor: | COBALT (II) ION, Methionine aminopeptidase 2, SODIUM ION | Authors: | Reddi, R, Addlagatta, A. | Deposit date: | 2014-02-03 | Release date: | 2015-02-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selective targeting of the conserved active site cysteine of Mycobacterium tuberculosis methionine aminopeptidase with electrophilic reagents Febs J., 281, 2014
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3USW
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4OOT
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![BU of 4oot by Molmil](/molmil-images/mine/4oot) | |
3USO
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4OP5
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![BU of 4op5 by Molmil](/molmil-images/mine/4op5) | Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S mutation | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Extended spectrum beta-lactamase TEM-63, ... | Authors: | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | Deposit date: | 2014-02-05 | Release date: | 2015-05-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder. J. Mol. Biol., 427, 2015
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3UTW
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![BU of 3utw by Molmil](/molmil-images/mine/3utw) | Crystal structure of bacteriorhodopsin mutant P50A/Y57F | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bacteriorhodopsin, RETINAL, ... | Authors: | Cao, Z, Bowie, J.U. | Deposit date: | 2011-11-27 | Release date: | 2012-05-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Shifting hydrogen bonds may produce flexible transmembrane helices. Proc.Natl.Acad.Sci.USA, 109, 2012
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4OPD
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![BU of 4opd by Molmil](/molmil-images/mine/4opd) | Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase. | Descriptor: | Conserved Archaeal protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GERANYLGERANYL DIPHOSPHATE | Authors: | McAndrew, R.P, Kung, Y, Xie, X, Liu, C, Pereira, J.H, Keasling, J.D, Adams, P.D. | Deposit date: | 2014-02-05 | Release date: | 2014-07-09 | Last modified: | 2014-07-23 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase. Structure, 22, 2014
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3UT4
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![BU of 3ut4 by Molmil](/molmil-images/mine/3ut4) | Structural view of a non Pfam singleton and crystal packing analysis | Descriptor: | Putative uncharacterized protein | Authors: | Cheng, C, Shaw, N, Zhang, X, Zhang, M, Ding, W, Wang, B.C, Liu, Z.J. | Deposit date: | 2011-11-25 | Release date: | 2012-03-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural view of a non pfam singleton and crystal packing analysis. Plos One, 7, 2012
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2RIS
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4OP2
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![BU of 4op2 by Molmil](/molmil-images/mine/4op2) | GKRP bound to AMG-0471 and Sorbitol-6-Phosphate | Descriptor: | (2S)-2-{4'-[(6-aminopyridin-3-yl)sulfonyl]biphenyl-4-yl}-1,1,1-trifluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | Authors: | Jordan, S.R, Chmait, S. | Deposit date: | 2014-02-04 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 5. A Novel Aryl Sulfone Series, Optimization Through Conformational Analysis. J.Med.Chem., 58, 2015
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3UU3
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![BU of 3uu3 by Molmil](/molmil-images/mine/3uu3) | The GLIC pentameric Ligand-Gated Ion Channel Loop2-20' oxidized mutant in a locally-closed conformation (LC1 subtype) | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Glr4197 protein | Authors: | Sauguet, L, Nury, H, Corringer, P.J, Delarue, M. | Deposit date: | 2011-11-28 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | A locally closed conformation of a bacterial pentameric proton-gated ion channel. Nat.Struct.Mol.Biol., 19, 2012
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