2O2I
| Crystal structure of haloalkane dehalogenase Rv2579 from Mycobacterium tuberculosis complexed with 1,3-propandiol | Descriptor: | 1,3-PROPANDIOL, BROMIDE ION, Haloalkane dehalogenase 3 | Authors: | Mazumdar, P.A, Hulecki, J, Cherney, M.M, Garen, C.R, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2006-11-29 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of haloalkane dehalogenase Rv2579 from Mycobacterium tuberculosis complexed with 1,3-propandiol To be Published
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4DE2
| CTX-M-9 class A beta-lactamase complexed with compound 12 | Descriptor: | 3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE | Authors: | Nichols, D.A, Chen, Y. | Deposit date: | 2012-01-19 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
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3SWK
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3GZ4
| Crystal structure of putative short chain dehydrogenase FROM ESCHERICHIA COLI CFT073 complexed with NADPH | Descriptor: | Hypothetical oxidoreductase yciK, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Malashkevich, V.N, Toro, R, Morano, C, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-04-06 | Release date: | 2009-04-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of putative short chain dehydrogenase
FROM ESCHERICHIA COLI CFT073 complexed with NADPH To be Published
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4DR5
| Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with codon, crystallographically disordered cognate transfer RNA anticodon stem-loop and streptomycin bound | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G. | Deposit date: | 2012-02-16 | Release date: | 2012-11-14 | Last modified: | 2013-01-30 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | A structural basis for streptomycin-induced misreading of the genetic code. Nat Commun, 4, 2013
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3GTY
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4HR2
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3SVG
| Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | Descriptor: | (1R)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Hewings, S.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Conway, S.J, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-07-12 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand TO BE PUBLISHED
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4DGC
| TRIMCyp cyclophilin domain from Macaca mulatta: cyclosporin A complex | Descriptor: | TRIMCyp, cyclosporin A | Authors: | Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C. | Deposit date: | 2012-01-25 | Release date: | 2012-02-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Diverse HIV viruses are targeted by a conformationally dynamic antiviral. Nat.Struct.Mol.Biol., 19, 2012
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2O4L
| Crystal Structure of HIV-1 Protease (Q7K, I50V) in Complex with Tipranavir | Descriptor: | CHLORIDE ION, GLYCEROL, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, ... | Authors: | Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M. | Deposit date: | 2006-12-04 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations. J.Virol., 81, 2007
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3SVT
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2I51
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3GVC
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3H1P
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4HTR
| N149W variant of SiRHP bound to sulfite | Descriptor: | IRON/SULFUR CLUSTER, SIROHEME, SODIUM ION, ... | Authors: | Smith, K.W, Stroupe, M.E. | Deposit date: | 2012-11-01 | Release date: | 2013-01-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mutational analysis of sulfite reductase hemoprotein reveals the mechanism for coordinated electron and proton transfer. Biochemistry, 51, 2012
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4HU9
| E. coli thioredoxin variant with (4S)-FluoroPro76 as single proline residue | Descriptor: | COPPER (II) ION, Thioredoxin-1 | Authors: | Scharer, M.A, Rubini, M, Capitani, G, Glockshuber, R. | Deposit date: | 2012-11-02 | Release date: | 2013-05-29 | Last modified: | 2017-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | (4R)- and (4S)-Fluoroproline in the Conserved cis-Prolyl Peptide Bond of the Thioredoxin Fold: Tertiary Structure Context Dictates Ring Puckering. Chembiochem, 14, 2013
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4DJY
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3H3S
| Crystal structure of the CERT START domain in complex with HPA-15 | Descriptor: | Goodpasture antigen binding protein, N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide | Authors: | Kudo, N, Wakatsuki, S, Kato, R. | Deposit date: | 2009-04-17 | Release date: | 2010-03-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Crystal structures of the CERT START domain with inhibitors provide insights into the mechanism of ceramide transfer. J.Mol.Biol., 396, 2010
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4HWG
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3T3Y
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4DLZ
| H-Ras Set 2 Ca(OAc)2/DTE, ordered off | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, CALCIUM ION, GTPase HRas, ... | Authors: | Holzapfel, G, Mattos, C. | Deposit date: | 2012-02-06 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.662 Å) | Cite: | Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition. Biochemistry, 51, 2012
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3H5G
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4HWP
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3T46
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3T49
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