3OVL
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4DRM
| EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | Authors: | Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F. | Deposit date: | 2012-02-17 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52. J.Med.Chem., 55, 2012
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3M6F
| CD11A I-domain complexed with 6-((5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7- TRIAZASPIRO[4.4]NON-7-YL)NICOTINIC ACID | Descriptor: | 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, NITRATE ION | Authors: | Sheriff, S. | Deposit date: | 2010-03-15 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521). J.Med.Chem., 53, 2010
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4M14
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4MA7
| Crystal structure of mouse prion protein complexed with Promazine | Descriptor: | Major prion protein, POM1 heavy chain, POM1 light chain, ... | Authors: | Baral, P.K, Swayampakula, M, James, M.N.G. | Deposit date: | 2013-08-15 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural basis of prion inhibition by phenothiazine compounds. Structure, 22, 2014
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3MSF
| Crystal structure of Thermolysin in complex with Urea | Descriptor: | CALCIUM ION, GLYCEROL, Thermolysin, ... | Authors: | Behnen, J, Heine, A, Klebe, G. | Deposit date: | 2010-04-29 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
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1UIO
| ADENOSINE DEAMINASE (HIS 238 ALA MUTANT) | Descriptor: | 6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOSIDE, ADENOSINE DEAMINASE, ZINC ION | Authors: | Wilson, D.K, Quiocho, F.A. | Deposit date: | 1996-08-30 | Release date: | 1997-06-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Site-directed mutagenesis of histidine 238 in mouse adenosine deaminase: substitution of histidine 238 does not impede hydroxylate formation. Biochemistry, 35, 1996
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4D8E
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4LQC
| The crystal structures of the Brucella protein TcpB and the TLR adaptor protein TIRAP show structural differences in microbial TIR mimicry. | Descriptor: | TcpB | Authors: | Snyder, G.A, Smith, P, Fresquez, T, Cirl, C, Jiang, J, Snyder, N, Luchetti, T, Miethke, T, Xiao, T.S. | Deposit date: | 2013-07-17 | Release date: | 2013-12-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of the Toll/Interleukin-1 receptor (TIR) domains from the Brucella protein TcpB and host adaptor TIRAP reveal mechanisms of molecular mimicry. J.Biol.Chem., 289, 2014
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4D8B
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4M52
| Structure of Mtb Lpd bound to SL827 | Descriptor: | Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, N~2~-[(2-amino-5-bromopyridin-3-yl)sulfonyl]-N-(4-methoxyphenyl)-N~2~-methylglycinamide | Authors: | Lima, C.D. | Deposit date: | 2013-08-07 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Lipoamide channel-binding sulfonamides selectively inhibit mycobacterial lipoamide dehydrogenase. Biochemistry, 52, 2013
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4D1I
| The structure of the GH35 beta-galactosidase Bgl35A from Cellvibrio japonicus | Descriptor: | ACETATE ION, BETA-GALACTOSIDASE, PUTATIVE, ... | Authors: | Larsbrink, J, Thompson, A.J, Lundqvist, M, Gardner, J.G, Davies, G.J, Brumer, H. | Deposit date: | 2014-05-02 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Complex Gene Locus Enables Xyloglucan Utilization in the Model Saprophyte Cellvibrio Japonicus. Mol.Microbiol., 94, 2014
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4DRN
| EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | Authors: | Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F. | Deposit date: | 2012-02-17 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.069 Å) | Cite: | Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52. J.Med.Chem., 55, 2012
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4JR2
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4JQY
| Human procaspase-3, crystal form 1 | Descriptor: | Procaspase-3 | Authors: | Thomsen, N.D, Wells, J.A. | Deposit date: | 2013-03-20 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.495 Å) | Cite: | Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation. Proc.Natl.Acad.Sci.USA, 110, 2013
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1TBR
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4JLX
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3OX8
| Crystal Structure of HLA A*02:03 Bound to HBV Core 18-27 | Descriptor: | 10mer peptide from Pre-core-protein, Beta-2-microglobulin, MHC class I antigen | Authors: | Liu, J, Chen, Y, Lai, L, Ren, E. | Deposit date: | 2010-09-21 | Release date: | 2011-05-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural insights into the binding of hepatitis B virus core peptide to HLA-A2 alleles: Towards designing better vaccines. Eur.J.Immunol., 41, 2011
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1GV4
| Murine apoptosis-inducing factor (AIF) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PROGRAMED CELL DEATH PROTEIN 8 | Authors: | Mate, M.J, Alzari, P.M. | Deposit date: | 2002-02-05 | Release date: | 2002-04-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Crystal Structure of the Mouse Apoptosis-Inducing Factor Aif Nat.Struct.Biol., 9, 2002
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1GPQ
| Structure of ivy complexed with its target, HEWL | Descriptor: | INHIBITOR OF VERTEBRATE LYSOZYME, LYSOZYME C | Authors: | Abergel, C, Monchois, V, Claverie, J.-M. | Deposit date: | 2001-11-08 | Release date: | 2003-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure and Evolution of the Ivy Protein Family, Unexpected Lysozyme Inhibitors in Gram-Negative Bacteria. Proc.Natl.Acad.Sci.USA, 104, 2007
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2WNK
| Structure of SporoSAG from Toxoplasma gondii | Descriptor: | SPOROZOITE-SPECIFIC SAG PROTEIN | Authors: | Crawford, J, Lamb, E, Grujic, O, Grigg, M.E, Boulanger, M.J. | Deposit date: | 2009-07-09 | Release date: | 2010-02-02 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural and Functional Characterization of Sporosag: A Sag2 Related Surface Antigen from Toxoplasma Gondii. J.Biol.Chem., 285, 2010
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4DEF
| Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis | Descriptor: | ACETATE ION, Fructose-bisphosphate aldolase, SODIUM ION, ... | Authors: | Capodagli, G.C, Pegan, S.D. | Deposit date: | 2012-01-20 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis. Biochemistry, 52, 2013
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1SHJ
| Caspase-7 in complex with DICA allosteric inhibitor | Descriptor: | 2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAPTO-ETHYL)-ACETAMIDE, Caspase-7, SULFATE ION | Authors: | Hardy, J.A, Lam, J, Nguyen, J.T, O'Brien, T, Wells, J.A. | Deposit date: | 2004-02-25 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of an allosteric site in the caspases Proc.Natl.Acad.Sci.USA, 101, 2004
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4LEN
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3N2V
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