2WNL
 
 | | CRYSTAL STRUCTURE OF APLYSIA ACHBP IN COMPLEX WITH ANABASEINE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,4,5,6-tetrahydro-2,3'-bipyridine, 5-amino-1-pyridin-3-ylpentan-1-one, ... | | Authors: | Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y. | | Deposit date: | 2009-07-09 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor.
EMBO J., 28, 2009
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3BS6
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4GQJ
 | | Complex of a binuclear Ruthenium compound D,D-([mu-(11,11')-bi(dppz)-(1,10-phenanthroline)4-Ru2]4+) bound to d(CGTACG) | | Descriptor: | (mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~4'~,N~5'~)[tetrakis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]diruthenium, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3') | | Authors: | Boer, D.R, Coll, M. | | Deposit date: | 2012-08-23 | | Release date: | 2014-03-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.951 Å) | | Cite: | Thread Insertion of a Bis(dipyridophenazine) Diruthenium Complex into the DNA Double Helix by the Extrusion of AT Base Pairs and Cross-Linking of DNA Duplexes.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4EEZ
 | | Crystal Structure of Lactococcus lactis Alcohol Dehydrogenase variant RE1 | | Descriptor: | Alcohol dehydrogenase 1, TETRAETHYLENE GLYCOL, ZINC ION | | Authors: | Liu, X, Bastian, S, Snow, C.D, Brustad, E.M, Saleski, T, Xu, J.H, Meinhold, P, Arnold, F.H. | | Deposit date: | 2012-03-28 | | Release date: | 2012-09-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-guided engineering of Lactococcus lactis alcohol dehydrogenase LlAdhA for improved conversion of isobutyraldehyde to isobutanol.
J.Biotechnol., 164, 2012
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2W0V
 | | Crystal structure of Glmu from Haemophilus influenzae in complex with quinazoline inhibitor 1 | | Descriptor: | 6-(CYCLOPROP-2-EN-1-YLMETHOXY)-2-[6-(CYCLOPROPYLMETHYL)-5-OXO-3,4,5,6-TETRAHYDRO-2,6-NAPHTHYRIDIN-2(1H)-YL]-7-METHOXYQUINAZOLIN-4(3H)-ONE, GLUCOSAMINE-1-PHOSPHATE N-ACETYLTRANSFERASE, SULFATE ION, ... | | Authors: | Mochalkin, I, Melnick, M. | | Deposit date: | 2008-10-10 | | Release date: | 2009-11-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Discovery and Initial Sar of Quinazoline Inhibitors of Glmu from Haemophilus Influenzae
To be Published
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4H33
 | | Crystal structure of a voltage-gated K+ channel pore module in a closed state in lipid membranes, tetragonal crystal form | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Lmo2059 protein, POTASSIUM ION | | Authors: | Santos, J.S, Asmar-Rovira, G.A, Han, G.W, Liu, W, Syeda, R, Cherezov, V, Baker, K.A, Stevens, R.C, Montal, M. | | Deposit date: | 2012-09-13 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal Structure of a Voltage-gated K+ Channel Pore Module in a Closed State in Lipid Membranes.
J.Biol.Chem., 287, 2012
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4HF1
 | | Crystal Structure of IscR bound to its promoter | | Descriptor: | DNA (29-MER), HTH-type transcriptional regulator IscR | | Authors: | Rajagopalan, S.R, Phillips, K.J. | | Deposit date: | 2012-10-04 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.222 Å) | | Cite: | Studies of IscR reveal a unique mechanism for metal-dependent regulation of DNA binding specificity.
Nat.Struct.Mol.Biol., 20, 2013
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4E8Z
 | | Crystal Structure of Burkholderia cenocepacia HldA in Complex with an ATP-competitive Inhibitor | | Descriptor: | D-beta-D-heptose 7-phosphate kinase, POTASSIUM ION, {[2-({[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid | | Authors: | Lee, T.-W, Verhey, T.B, Junop, M.S. | | Deposit date: | 2012-03-20 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural-functional studies of Burkholderia cenocepacia D-glycero-beta-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties.
J.Med.Chem., 56, 2013
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4EEX
 | | Crystal Structure of Lactococcus lactis Alcohol Dehydrogenase | | Descriptor: | Alcohol dehydrogenase 1, TETRAETHYLENE GLYCOL, ZINC ION | | Authors: | Liu, X, Bastian, S, Snow, C.D, Brustad, E.M, Saleski, T, Xu, J.H, Meinhold, P, Arnold, F.H. | | Deposit date: | 2012-03-28 | | Release date: | 2012-09-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-guided engineering of Lactococcus lactis alcohol dehydrogenase LlAdhA for improved conversion of isobutyraldehyde to isobutanol.
J.Biotechnol., 164, 2012
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4G4M
 | | Crystal structure of the de novo designed fluorinated peptide alpha4F3(6-13) | | Descriptor: | 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, alpha4F3(6-13) | | Authors: | Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G. | | Deposit date: | 2012-07-16 | | Release date: | 2012-10-31 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Comparison of the structures and stabilities of coiled-coil proteins containing hexafluoroleucine and t-butylalanine provides insight into the stabilizing effects of highly fluorinated amino acid side-chains.
Protein Sci., 21, 2012
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4N90
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4E8W
 | | Crystal Structure of Burkholderia cenocepacia HldA in Complex with an ATP-competitive Inhibitor | | Descriptor: | D-beta-D-heptose 7-phosphate kinase, POTASSIUM ION, {[2-({[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid | | Authors: | Lee, T.-W, Verhey, T.B, Junop, M.S. | | Deposit date: | 2012-03-20 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8654 Å) | | Cite: | Structural-functional studies of Burkholderia cenocepacia D-glycero-beta-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties.
J.Med.Chem., 56, 2013
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4J4G
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4J4F
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4JRF
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4HF0
 | | Crystal Structure of Apo IscR | | Descriptor: | HTH-type transcriptional regulator IscR, SULFATE ION | | Authors: | Rajagopalan, S.R, Phillips, K.J. | | Deposit date: | 2012-10-04 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Studies of IscR reveal a unique mechanism for metal-dependent regulation of DNA binding specificity.
Nat.Struct.Mol.Biol., 20, 2013
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4H4B
 | | Human cytosolic 5'-nucleotidase II in complex with Anthraquinone-2,6- disulfonic acid | | Descriptor: | 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid, Cytosolic purine 5'-nucleotidase, GLYCEROL, ... | | Authors: | Rhimi, M, Aghajari, N. | | Deposit date: | 2012-09-17 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Identification and characterization of inhibitors of cytoplasmic 5'-nucleotidase cN-II issued from virtual screening.
Biochem Pharmacol, 85, 2013
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3CC1
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3EI2
 | | Structure of hsDDB1-drDDB2 bound to a 16 bp abasic site containing DNA-duplex | | Descriptor: | 5'-D(*DAP*DAP*DAP*DTP*DGP*DAP*DAP*DTP*(3DR)P*DAP*DAP*DGP*DCP*DAP*DGP*DG)-3', 5'-D(*DCP*DCP*DTP*DGP*DCP*DTP*DTP*DTP*DAP*DTP*DTP*DCP*DAP*DTP*DTP*DT)-3', DNA damage-binding protein 1, ... | | Authors: | Scrima, A, Thoma, N.H. | | Deposit date: | 2008-09-15 | | Release date: | 2009-01-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of UV DNA-damage recognition by the DDB1-DDB2 complex.
Cell(Cambridge,Mass.), 135, 2008
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3LGH
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3QVT
 | | L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus wild-type with the intermediate 5-keto 1-phospho glucose | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), ... | | Authors: | Neelon, K, Roberts, M.F, Stec, B. | | Deposit date: | 2011-02-25 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS.
Biophys.J., 101, 2011
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3QVI
 | | Crystal structure of KNI-10395 bound histo-aspartic protease (HAP) from Plasmodium falciparum | | Descriptor: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ... | | Authors: | Bhaumik, P, Gustchina, A, Wlodawer, A. | | Deposit date: | 2011-02-25 | | Release date: | 2011-10-12 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into the activation and inhibition of histo-aspartic protease from Plasmodium falciparum.
Biochemistry, 50, 2011
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3QVW
 | | L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus mutant K278A | | Descriptor: | GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Neelon, K, Roberts, M.F, Stec, B. | | Deposit date: | 2011-02-26 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS.
Biophys.J., 101, 2011
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3NQU
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3QVS
 | | L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus wild type | | Descriptor: | GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Neelon, K, Roberts, M.F, Stec, B. | | Deposit date: | 2011-02-25 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS.
Biophys.J., 101, 2011
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