2BHU
 
 | | Crystal structure of Deinococcus radiodurans maltooligosyltrehalose trehalohydrolase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, MALTOOLIGOSYLTREHALOSE TREHALOHYDROLASE, ... | | Authors: | Timmins, J, Leiros, H.-K.S, Leonard, G, Leiros, I, McSweeney, S. | | Deposit date: | 2005-01-18 | | Release date: | 2005-03-31 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal Structure of Maltooligosyltrehalose Trehalohydrolase from Deinococcus Radiodurans in Complex with Disaccharides
J.Mol.Biol., 347, 2005
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1AGU
 | | THE SOLUTION NMR STRUCTURE OF THE C10R ADDUCT OF BENZO[A]PYRENE-DIOL-EPOXIDE AT THE N6 POSITION OF ADENINE OF AN 11 BASE-PAIR OLIGONUCLEOTIDE SEQUENCE CODING FOR AMINO ACIDS 60-62 OF THE PRODUCT OF THE N-RAS PROTOONCOGENE, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | DNA (5'-D(*CP*GP*GP*AP*CP*EP*AP*GP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3') | | Authors: | Zegar, I.S, Stone, M.P. | | Deposit date: | 1997-03-25 | | Release date: | 1997-08-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Adduction of the human N-ras codon 61 sequence with (-)-(7S,8R,9R,10S)-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a] pyrene: structural refinement of the intercalated SRSR(61,2) (-)-(7S,8R,9S,1 0R)-N6-[10-(7,8,9,10- tetrahydrobenzo[a]pyrenyl)]-2'-deoxyadenosyl adduct from 1H NMR
Biochemistry, 35, 1996
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4ZZK
 | | Crystal structure of truncated FlgD (monoclinic form) from the human pathogen Helicobacter pylori | | Descriptor: | Basal-body rod modification protein FlgD | | Authors: | Pulic, I, Cendron, L, Salamina, M, Matkovic-Calogovic, D, Zanotti, G. | | Deposit date: | 2015-05-22 | | Release date: | 2016-02-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of truncated FlgD from the human pathogen Helicobacter pylori.
J.Struct.Biol., 194, 2016
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2BXB
 | | Human serum albumin complexed with oxyphenbutazone | | Descriptor: | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE, SERUM ALBUMIN | | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | | Deposit date: | 2005-07-26 | | Release date: | 2005-09-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
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1AC9
 | | SOLUTION STRUCTURE OF A DNA DECAMER CONTAINING THE ANTIVIRAL DRUG GANCICLOVIR: COMBINED USE OF NMR, RESTRAINED MOLECULAR DYNAMICS, AND FULL RELAXATION REFINEMENT, 6 STRUCTURES | | Descriptor: | DNA | | Authors: | Foti, M, Marshalko, S, Schurter, E, Kumar, S, Beardsley, G.P, Schweitzer, B.I. | | Deposit date: | 1997-02-17 | | Release date: | 1997-07-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a DNA decamer containing the antiviral drug ganciclovir: combined use of NMR, restrained molecular dynamics, and full relaxation matrix refinement.
Biochemistry, 36, 1997
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1AK4
 | | HUMAN CYCLOPHILIN A BOUND TO THE AMINO-TERMINAL DOMAIN OF HIV-1 CAPSID | | Descriptor: | CYCLOPHILIN A, HIV-1 CAPSID | | Authors: | Hill, C.P, Gamble, T.R, Vajdos, F.F, Worthylake, D.K, Sundquist, W.I. | | Deposit date: | 1997-05-28 | | Release date: | 1997-10-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Crystal structure of human cyclophilin A bound to the amino-terminal domain of HIV-1 capsid.
Cell(Cambridge,Mass.), 87, 1996
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3OAU
 | | Antibody 2G12 Recognizes Di-Mannose Equivalently in Domain- and Non-Domain-Exchanged Forms, but only binds the HIV-1 Glycan Shield if Domain-Exchanged | | Descriptor: | Fab 2G12, heavy chain, light chain, ... | | Authors: | Doores, K.J, Fulton, Z, Huber, M, Wilson, I.A, Burton, D.R. | | Deposit date: | 2010-08-05 | | Release date: | 2011-01-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Antibody 2G12 recognizes di-mannose equivalently in domain- and nondomain-exchanged forms but only binds the HIV-1 glycan shield if domain exchanged.
J.Virol., 84, 2010
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2JET
 | | Crystal structure of a trypsin-like mutant (S189D , A226G) chymotrypsin. | | Descriptor: | CHYMOTRYPSINOGEN B CHAIN A, CHYMOTRYPSINOGEN B CHAIN B, CHYMOTRYPSINOGEN B CHAIN C | | Authors: | Jelinek, B, Katona, G, Fodor, K, Venekei, I, Graf, L. | | Deposit date: | 2007-01-22 | | Release date: | 2007-09-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Crystal Structure of a Trypsin-Like Mutant Chymotrypsin: The Role of Position 226 in the Activity and Specificity of S189D Chymotrypsin.
Protein J., 27, 2008
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2BXC
 | | Human serum albumin complexed with phenylbutazone | | Descriptor: | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, SERUM ALBUMIN | | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | | Deposit date: | 2005-07-26 | | Release date: | 2005-09-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
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5AK0
 | | Human PFKFB3 in complex with an indole inhibitor 6 | | Descriptor: | (2S)-N-[4-[1-METHYL-3-(1-METHYLPYRAZOL-4-YL)INDOL-5-YL]OXYPHENYL]PYRROLIDINE-2-CARBOXAMIDE, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
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2C0D
 | | Structure of the mitochondrial 2-cys peroxiredoxin from Plasmodium falciparum | | Descriptor: | THIOREDOXIN PEROXIDASE 2 | | Authors: | Boucher, I.W, Brannigan, J.A, Wilkinson, A.J, Brzozowski, A.M, Muller, S. | | Deposit date: | 2005-09-01 | | Release date: | 2006-11-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural and Biochemical Characterisation of a Mitochondrial Peroxiredoxin from Plasmodium Falciparum
Mol.Microbiol., 61, 2006
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2BU9
 | | Isopenicillin N synthase complexed with L-aminoadipoyl-L-cysteinyl-L- hexafluorovaline | | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE, FE (III) ION, ISOPENICILLIN N SYNTHETASE, ... | | Authors: | Howard-Jones, A.R, Rutledge, P.J, Clifton, I.J, Adlington, R.M, Baldwin, J.E. | | Deposit date: | 2005-06-09 | | Release date: | 2005-09-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Unique Binding of a Non-Natural L,L,L-Substrate by Isopenicillin N Synthase
Biochem.Biophys.Res.Commun., 336, 2005
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3OCN
 | | Crystal structure of penicillin-binding protein 3 from Pseudomonas aeruginosa in complex with ceftazidime | | Descriptor: | 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, penicillin-binding protein 3 | | Authors: | Sainsbury, S, Bird, L, Stuart, D.I, Owens, R.J, Ren, J, Oxford Protein Production Facility (OPPF) | | Deposit date: | 2010-08-10 | | Release date: | 2010-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Crystal structures of penicillin-binding protein 3 from Pseudomonas aeruginosa: comparison of native and antibiotic-bound forms
J.Mol.Biol., 405, 2011
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2IYI
 | | structure of a light-induced intermediate of the BLUF domain of the rhodobacterial protein AppA | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, APPA, ... | | Authors: | Jung, A, Reinstein, J, Domratcheva, T, Shoeman, R.-L, Schlichting, I. | | Deposit date: | 2006-07-17 | | Release date: | 2006-09-06 | | Last modified: | 2018-03-28 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal structures of the AppA BLUF domain photoreceptor provide insights into blue light-mediated signal transduction.
J. Mol. Biol., 362, 2006
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2BOX
 | | EGF Domains 1,2,5 of human EMR2, a 7-TM immune system molecule, in complex with strontium. | | Descriptor: | CACODYLATE ION, CHLORIDE ION, EGF-LIKE MODULE CONTAINING MUCIN-LIKE HORMONE RECEPTOR-LIKE 2 PRECURSOR, ... | | Authors: | Abbott, R.J.M, Spendlove, I, Roversi, P, Teriete, P, Knott, V, Handford, P.A, McDonnell, J.M, Lea, S.M. | | Deposit date: | 2005-04-14 | | Release date: | 2006-10-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and Functional Characterization of a Novel T Cell Receptor Co-Regulatory Protein Complex, Cd97-Cd55.
J.Biol.Chem., 282, 2007
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5AJA
 | | Crystal structure of mandrill SAMHD1 (amino acid residues 1-114) bound to Vpx isolated from mandrill and human DCAF1 (amino acid residues 1058-1396) | | Descriptor: | PROTEIN VPRBP, SAM DOMAIN AND HD DOMAIN-CONTAINING PROTEIN, VPX PROTEIN, ... | | Authors: | Schwefel, D, Boucherit, V.C, Christodoulou, E, Walker, P.A, Stoye, J.P, Bishop, K.N, Taylor, I.A. | | Deposit date: | 2015-02-20 | | Release date: | 2015-04-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.649 Å) | | Cite: | Molecular Determinants for Recognition of Divergent Samhd1 Proteins by the Lentiviral Accessory Protein Vpx.
Cell Host Microbe., 17, 2015
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177D
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2IKU
 | | Crystal Structure of Human Renin Complexed with Inhibitors | | Descriptor: | 6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]PYRIMIDINE-2,4-DIAMINE, Renin | | Authors: | Mochalkin, I. | | Deposit date: | 2006-10-02 | | Release date: | 2006-12-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Binding thermodynamics of substituted diaminopyrimidine renin inhibitors.
Anal.Biochem., 360, 2007
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2BXH
 | | Human serum albumin complexed with indoxyl sulfate | | Descriptor: | 3-SULFOOXY-1H-INDOLE, SERUM ALBUMIN | | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | | Deposit date: | 2005-07-26 | | Release date: | 2005-09-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
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1A8O
 | | HIV CAPSID C-TERMINAL DOMAIN | | Descriptor: | HIV CAPSID | | Authors: | Gamble, T.R, Yoo, S, Vajdos, F.F, Von Schwedler, U.K, Worthylake, D.K, Wang, H, Mccutcheon, J.P, Sundquist, W.I, Hill, C.P. | | Deposit date: | 1998-03-27 | | Release date: | 1998-10-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of the carboxyl-terminal dimerization domain of the HIV-1 capsid protein.
Science, 278, 1997
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2C1I
 | | Structure of Streptococcus pneumoniae peptidoglycan deacetylase (SpPgdA) D 275 N Mutant. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PEPTIDOGLYCAN GLCNAC DEACETYLASE, SULFATE ION, ... | | Authors: | Blair, D.E, Schuttelkopf, A.W, MacRae, J.I, van Aalten, D.M.F. | | Deposit date: | 2005-09-15 | | Release date: | 2005-09-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
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3OCL
 | | Crystal structure of penicillin-binding protein 3 from Pseudomonas aeruginosa in complex with carbenicillin | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Sainsbury, S, Bird, L, Stuart, D.I, Owens, R.J, Ren, J, Oxford Protein Production Facility (OPPF) | | Deposit date: | 2010-08-10 | | Release date: | 2010-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of penicillin-binding protein 3 from Pseudomonas aeruginosa: comparison of native and antibiotic-bound forms
J.Mol.Biol., 405, 2011
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1A6K
 | | AQUOMET-MYOGLOBIN, ATOMIC RESOLUTION | | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Vojtechovsky, J, Berendzen, J, Chu, K, Schlichting, I, Sweet, R.M. | | Deposit date: | 1998-02-26 | | Release date: | 1999-04-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structures of myoglobin-ligand complexes at near-atomic resolution.
Biophys.J., 77, 1999
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5AE8
 | | Crystal structure of mouse PI3 kinase delta in complex with GSK2269557 | | Descriptor: | 6-(1H-Indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1H-indazole, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Down, K.D, Amour, A, Baldwin, I.R, Cooper, A.W.J, Deakin, A.M, Felton, L.M, Guntrip, S.B, Hardy, C, Harrison, Z.A, Jones, K.L, Jones, P, Keeling, S.E, Le, J, Livia, S, Lucas, F, Lunniss, C.J, Parr, N.J, Robinson, E, Rowland, P, Smith, S, Thomas, D.A, Vitulli, G, Washio, Y, Hamblin, N. | | Deposit date: | 2015-08-26 | | Release date: | 2015-09-16 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase Gamma for the Treatment of Respiratory Disease.
J.Med.Chem., 58, 2015
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3OEW
 | | Crystal structure of wild-type InhA:NADH complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Molle, V, Gulten, G, Vilcheze, C, Veyron-Churlet, R, Zanella-Cleon, I, Sacchettini, J.C, Jacobs Jr, W.R, Kremer, L. | | Deposit date: | 2010-08-13 | | Release date: | 2010-12-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Phosphorylation of InhA inhibits mycolic acid biosynthesis and growth of Mycobacterium tuberculosis.
Mol.Microbiol., 78, 2010
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