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4OME
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BU of 4ome by Molmil
X-ray structure of human glutamate carboxypeptidase II in complex with DCCBL, a urea based inhibitor with distal carborane moiety
分子名称: (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, ...
著者Barinka, C, Ptacek, J, Novakova, Z, Byun, Y.
登録日2014-01-27
公開日2015-02-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献X-ray structure of human glutamate carboxypeptidase II in complex with DCCBL, a urea based inhibitor with distal carborane moiety
To be Published
3UQO
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BU of 3uqo by Molmil
Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor
分子名称: 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, Cationic trypsin
著者Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
登録日2011-11-21
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
4OLV
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BU of 4olv by Molmil
Crystal structure of antibody VRC07-G54F in complex with clade A/E 93TH057 HIV-1 gp120 core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
著者Kwon, Y.D, Kwong, P.D.
登録日2014-01-25
公開日2014-09-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
3UQZ
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BU of 3uqz by Molmil
X-ray structure of DNA processing protein A (DprA) from Streptococcus pneumoniae
分子名称: DNA processing protein DprA, SULFATE ION
著者Quevillon-Cheruel, S, Brooks, M.A, Li de la Sierra-Gallay, I.
登録日2011-11-21
公開日2012-08-29
最終更新日2012-09-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-function analysis of pneumococcal DprA protein reveals that dimerization is crucial for loading RecA recombinase onto DNA during transformation.
Proc.Natl.Acad.Sci.USA, 109, 2012
2RG0
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BU of 2rg0 by Molmil
Crystal structure of cellobiohydrolase from Melanocarpus albomyces complexed with cellotetraose
分子名称: 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
著者Parkkinen, T, Koivula, A, Vehmaanper, J, Rouvinen, J.
登録日2007-10-02
公開日2008-09-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of Melanocarpus albomyces cellobiohydrolase Cel7B in complex with cello-oligomers show high flexibility in the substrate binding
Protein Sci., 17, 2008
4OMH
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BU of 4omh by Molmil
Crystal structure of the bacterial diterpene cyclase COTB2 variant F149L
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Geranylgeranyl diphosphate cyclase, SODIUM ION
著者Janke, R, Goerner, C, Hirte, M, Brueck, T, Loll, B.
登録日2014-01-27
公開日2014-06-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The first structure of a bacterial diterpene cyclase: CotB2.
Acta Crystallogr.,Sect.D, 70, 2014
3URB
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BU of 3urb by Molmil
Crystal Structure of PTE mutant H254G/H257W/L303T/M317L/I106C/F132I/L271I/K185R/I274N/A80V/R67H
分子名称: COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, IMIDAZOLE, ...
著者Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M.
登録日2011-11-21
公開日2012-08-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Biochemistry, 51, 2012
4OMZ
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BU of 4omz by Molmil
Crystal Structure of NolR from Sinorhizobium fredii
分子名称: NolR, PHOSPHATE ION
著者Lee, S.G, Krishnan, H.B, Jez, J.M.
登録日2014-01-28
公開日2014-04-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural basis for regulation of rhizobial nodulation and symbiosis gene expression by the regulatory protein NolR.
Proc.Natl.Acad.Sci.USA, 111, 2014
3UMY
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BU of 3umy by Molmil
Crystal structure of mutant ribosomal protein T217A TthL1 in complex with 80nt 23S RNA from Thermus thermophilus
分子名称: 50S ribosomal protein L1, CHLORIDE ION, MAGNESIUM ION, ...
著者Gabdulkhakov, A.G, Nevskaya, N.A, Nikonov, S.V.
登録日2011-11-15
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of mutant ribosomal protein T217A TthL1 in complex with 80nt 23S RNA from Thermus thermophilus
To be Published
4OO7
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BU of 4oo7 by Molmil
THE 1.55A CRYSTAL STRUCTURE of NAF1 (MINER1): THE REDOX-ACTIVE 2FE-2S PROTEIN
分子名称: CDGSH iron-sulfur domain-containing protein 2, FE2/S2 (INORGANIC) CLUSTER
著者Tamir, S, Eisenberg-Domovich, Y, Colman, A.R, Stofleth, J.T, Lipper, C.H, Paddock, M.L, Jenning, P.A, Livnah, O, Nechushtai, R.
登録日2014-01-31
公開日2014-07-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献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
3URO
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BU of 3uro by Molmil
Poliovirus receptor CD155 D1D2
分子名称: Poliovirus receptor
著者Zhang, P, Mueller, S, Morais, M.C, Bator, C.M, Bowman, V.D, Hafenstein, S, Wimmer, E, Rossmann, M.G.
登録日2011-11-22
公開日2011-12-07
実験手法X-RAY DIFFRACTION (3.5005 Å)
主引用文献Crystal structure of CD155 and electron microscopic studies of its complexes with polioviruses.
Proc.Natl.Acad.Sci.USA, 105, 2008
3US1
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BU of 3us1 by Molmil
Structure of p63 DNA Binding Domain in Complex with a 22 Base Pair Response Element Containing a Two Base Pair "GC" Spacer Between Half Sites
分子名称: 5'-D(*AP*AP*AP*CP*AP*TP*GP*TP*TP*TP*GP*CP*AP*AP*AP*CP*AP*TP*GP*TP*TP*T)-3', Tumor protein 63, ZINC ION
著者Chen, C, Herzberg, O.
登録日2011-11-22
公開日2012-02-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Pliable DNA Conformation of Response Elements Bound to Transcription Factor p63.
J.Biol.Chem., 287, 2012
3UNB
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BU of 3unb by Molmil
Mouse constitutive 20S proteasome in complex with PR-957
分子名称: 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, ...
著者Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M.
登録日2011-11-15
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity.
Cell(Cambridge,Mass.), 148, 2012
3USR
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BU of 3usr by Molmil
Structure of Y194F glycogenin mutant truncated at residue 270
分子名称: CHLORIDE ION, GLYCEROL, Glycogenin-1
著者Issoglio, F.M, Carrizo, M.E, Romero, J.M, Curtino, J.A.
登録日2011-11-23
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanisms of monomeric and dimeric glycogenin autoglucosylation.
J.Biol.Chem., 287, 2012
4OOK
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BU of 4ook by Molmil
Third Metal bound M.tuberculosis methionine aminopeptidase
分子名称: COBALT (II) ION, Methionine aminopeptidase 2, SODIUM ION
著者Reddi, R, Addlagatta, A.
登録日2014-02-03
公開日2015-02-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Selective targeting of the conserved active site cysteine of Mycobacterium tuberculosis methionine aminopeptidase with electrophilic reagents
Febs J., 281, 2014
3USW
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BU of 3usw by Molmil
Crystal structure of FliG (residues 86-343) from H. pylori
分子名称: Flagellar motor switch protein
著者Au, S.W.N, Lam, K.H.
登録日2011-11-24
公開日2011-12-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Multiple conformations of the FliG C-terminal domain provide insight into flagellar motor switching
Structure, 20, 2012
4OOT
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BU of 4oot by Molmil
X-ray structure of the protein-gold adduct formed upon reaction of Aubipic with hen egg white lysozyme
分子名称: 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ...
著者Merlino, A.
登録日2014-02-04
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Protein Recognition of Gold-Based Drugs: 3D Structure of the Complex Formed When Lysozyme Reacts with Aubipy(c.).
ACS Med Chem Lett, 5, 2014
3USO
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BU of 3uso by Molmil
Crystal structure of LeuT bound to L-selenomethionine in space group P21212 from lipid bicelles
分子名称: SELENOMETHIONINE, SODIUM ION, Transporter
著者Wang, H, Elferich, J, Gouaux, E.
登録日2011-11-23
公開日2012-01-11
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Structures of LeuT in bicelles define conformation and substrate binding in a membrane-like context.
Nat.Struct.Mol.Biol., 19, 2012
4OP5
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BU of 4op5 by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S mutation
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Extended spectrum beta-lactamase TEM-63, ...
著者Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
登録日2014-02-05
公開日2015-05-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献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
3UTW
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BU of 3utw by Molmil
Crystal structure of bacteriorhodopsin mutant P50A/Y57F
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bacteriorhodopsin, RETINAL, ...
著者Cao, Z, Bowie, J.U.
登録日2011-11-27
公開日2012-05-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Shifting hydrogen bonds may produce flexible transmembrane helices.
Proc.Natl.Acad.Sci.USA, 109, 2012
4OPD
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BU of 4opd by Molmil
Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.
分子名称: Conserved Archaeal protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GERANYLGERANYL DIPHOSPHATE
著者McAndrew, R.P, Kung, Y, Xie, X, Liu, C, Pereira, J.H, Keasling, J.D, Adams, P.D.
登録日2014-02-05
公開日2014-07-09
最終更新日2014-07-23
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.
Structure, 22, 2014
3UT4
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BU of 3ut4 by Molmil
Structural view of a non Pfam singleton and crystal packing analysis
分子名称: Putative uncharacterized protein
著者Cheng, C, Shaw, N, Zhang, X, Zhang, M, Ding, W, Wang, B.C, Liu, Z.J.
登録日2011-11-25
公開日2012-03-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural view of a non pfam singleton and crystal packing analysis.
Plos One, 7, 2012
2RIS
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BU of 2ris by Molmil
Crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase of candida albicans- alternate interpretation
分子名称: 3,4-dihydroxy-2-butanone 4-phosphate synthase
著者Stenkamp, R.E, Le Trong, I.
登録日2007-10-12
公開日2008-01-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase.
Acta Crystallogr.,Sect.D, 64, 2008
4OP2
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GKRP bound to AMG-0471 and Sorbitol-6-Phosphate
分子名称: (2S)-2-{4'-[(6-aminopyridin-3-yl)sulfonyl]biphenyl-4-yl}-1,1,1-trifluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
著者Jordan, S.R, Chmait, S.
登録日2014-02-04
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献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
3UU3
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The GLIC pentameric Ligand-Gated Ion Channel Loop2-20' oxidized mutant in a locally-closed conformation (LC1 subtype)
分子名称: DODECYL-BETA-D-MALTOSIDE, Glr4197 protein
著者Sauguet, L, Nury, H, Corringer, P.J, Delarue, M.
登録日2011-11-28
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献A locally closed conformation of a bacterial pentameric proton-gated ion channel.
Nat.Struct.Mol.Biol., 19, 2012

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