5ZH3
 
 | | CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-6 | | Descriptor: | (3S)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, LYSINE, Lysine-tRNA ligase | | Authors: | Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. | | Deposit date: | 2018-03-11 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite
J. Med. Chem., 61, 2018
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2JNT
 | | Structure of Bombyx mori Chemosensory Protein 1 in Solution | | Descriptor: | Chemosensory protein CSP1 | | Authors: | Jansen, S, Zidek, L, Chmelik, J, Novak, P, Padrta, P, Picimbon, J, Lofstedt, C, Sklenar, V. | | Deposit date: | 2007-02-02 | | Release date: | 2007-11-20 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | Structure of Bombyx mori chemosensory protein 1 in solution
Arch.Insect Biochem.Physiol., 66, 2007
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2NTM
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3GY2
 | | A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC | | Descriptor: | 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ... | | Authors: | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | | Deposit date: | 2009-04-03 | | Release date: | 2010-03-23 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
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1N0S
 | | ENGINEERED LIPOCALIN FLUA IN COMPLEX WITH FLUORESCEIN | | Descriptor: | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, Bilin-binding protein, SULFATE ION | | Authors: | Korndoerfer, I.P, Skerra, A. | | Deposit date: | 2002-10-15 | | Release date: | 2003-08-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic analysis of an "anticalin" with tailored specificity for fluorescein reveals high structural plasticity of the lipocalin loop region.
Proteins, 53, 2003
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1N78
 | | Crystal structure of Thermus thermophilus glutamyl-tRNA synthetase complexed with tRNA(Glu) and glutamol-AMP. | | Descriptor: | GLUTAMOL-AMP, Glutamyl-tRNA synthetase, MAGNESIUM ION, ... | | Authors: | Sekine, S, Nureki, O, Dubois, D.Y, Bernier, S, Chenevert, R, Lapointe, J, Vassylyev, D.G, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-11-13 | | Release date: | 2003-02-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | ATP binding by glutamyl-tRNA synthetase is switched to the productive mode by tRNA binding
EMBO J., 22, 2003
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1I8G
 | | SOLUTION STRUCTURE OF PIN1 WW DOMAIN COMPLEXED WITH CDC25 PHOSPHOTHREONINE PEPTIDE | | Descriptor: | M-PHASE INDUCER PHOSPHATASE 3, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | | Authors: | Wintjens, R, Wieruszeski, J.-M, Drobecq, H, Lippens, G, Landrieu, I. | | Deposit date: | 2001-03-14 | | Release date: | 2001-07-18 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | 1H NMR study on the binding of Pin1 Trp-Trp domain with phosphothreonine peptides.
J.Biol.Chem., 276, 2001
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1MEZ
 | | Structure of the Recombinant Mouse-Muscle Adenylosuccinate Synthetase Complexed with SAMP, GDP, SO4(2-), and Mg(2+) | | Descriptor: | 2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID, Adenylosuccinate Synthetase, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Iancu, C.V, Borza, T, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 2002-08-09 | | Release date: | 2002-10-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Feedback inhibition and product complexes of recombinant mouse muscle adenylosuccinate synthetase.
J.Biol.Chem., 277, 2002
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1MF0
 | | Structure of the Recombinant Mouse-Muscle Adenylosuccinate Synthetase Complexed with AMP, GDP, HPO4(2-), and Mg(2+) | | Descriptor: | ADENOSINE MONOPHOSPHATE, Adenylosuccinate Synthetase, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Iancu, C.V, Borza, T, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 2002-08-09 | | Release date: | 2002-10-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Feedback inhibition and product complexes of recombinant mouse muscle adenylosuccinate synthetase.
J.Biol.Chem., 277, 2002
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1MF1
 | | Structure of the Recombinant Mouse-Muscle Adenylosuccinate Synthetase Complexed with AMP | | Descriptor: | ACETATE ION, ADENOSINE MONOPHOSPHATE, Adenylosuccinate Synthetase | | Authors: | Iancu, C.V, Borza, T, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 2002-08-09 | | Release date: | 2002-10-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Feedback inhibition and product complexes of recombinant mouse muscle adenylosuccinate synthetase.
J.Biol.Chem., 277, 2002
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2P8M
 | | Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELLELDKWASLWN in new crystal form | | Descriptor: | gp41 peptide, nmAb 2F5, heavy chain, ... | | Authors: | Julien, J.P, Bryson, S, Pai, E.F. | | Deposit date: | 2007-03-22 | | Release date: | 2007-05-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural details of HIV-1 recognition by the broadly neutralizing monoclonal antibody 2F5: epitope conformation, antigen-recognition loop mobility, and anion-binding site.
J.Mol.Biol., 384, 2008
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1RTS
 | | THYMIDYLATE SYNTHASE FROM RAT IN TERNARY COMPLEX WITH DUMP AND TOMUDEX | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX | | Authors: | Sotelo-Mundo, R.R, Ciesla, J, Dzik, J.M, Rode, W, Maley, F, Maley, G, Hardy, L.W, Montfort, W.R. | | Deposit date: | 1998-06-19 | | Release date: | 1999-02-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structures of rat thymidylate synthase inhibited by Tomudex, a potent anticancer drug.
Biochemistry, 38, 1999
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1BPJ
 | | THYMIDYLATE SYNTHASE R178T, R179T DOUBLE MUTANT | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE) | | Authors: | Morse, R.J, Finer-Moore, J.S, Stroud, R.M. | | Deposit date: | 1998-08-11 | | Release date: | 1998-08-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance".
Biochemistry, 39, 2000
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1BP0
 | | THYMIDYLATE SYNTHASE R23I MUTANT | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE) | | Authors: | Morse, R, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1998-08-11 | | Release date: | 2000-01-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance".
Biochemistry, 39, 2000
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1I8H
 | | SOLUTION STRUCTURE OF PIN1 WW DOMAIN COMPLEXED WITH HUMAN TAU PHOSPHOTHREONINE PEPTIDE | | Descriptor: | MICROTUBULE-ASSOCIATED PROTEIN TAU, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | | Authors: | Wintjens, R, Wieruszeski, J.-M, Drobecq, H, Lippens, G, Landrieu, I. | | Deposit date: | 2001-03-14 | | Release date: | 2001-07-18 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | 1H NMR study on the binding of Pin1 Trp-Trp domain with phosphothreonine peptides.
J.Biol.Chem., 276, 2001
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1BP6
 | | THYMIDYLATE SYNTHASE R23I, R179T DOUBLE MUTANT | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE) | | Authors: | Morse, R.J, Finer-Moore, J.S, Stroud, R.M. | | Deposit date: | 1998-08-13 | | Release date: | 1998-08-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance".
Biochemistry, 39, 2000
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2AU4
 | | Class I GTP aptamer | | Descriptor: | Class I RNA aptamer to GTP, GUANOSINE-5'-TRIPHOSPHATE | | Authors: | Carothers, J.M, Davis, J.H, Chou, J.J, Szostak, J.W. | | Deposit date: | 2005-08-26 | | Release date: | 2006-03-28 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of an informationally complex high-affinity RNA aptamer to GTP.
Rna, 12, 2006
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2P8P
 | | Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide LELDKWASLW[N-Ac] | | Descriptor: | gp41 peptide, nmAb 2F5, heavy chain, ... | | Authors: | Bryson, S, Julien, J.-P, Pai, E.F. | | Deposit date: | 2007-03-22 | | Release date: | 2007-05-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural details of HIV-1 recognition by the broadly neutralizing monoclonal antibody 2F5: epitope conformation, antigen-recognition loop mobility, and anion-binding site.
J.Mol.Biol., 384, 2008
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2R3Y
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2R3U
 | | Crystal structure of the PDZ deletion mutant of DegS | | Descriptor: | Protease degS | | Authors: | Clausen, T, Kurzbauer, R. | | Deposit date: | 2007-08-30 | | Release date: | 2007-11-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Regulation of the sigmaE stress response by DegS: how the PDZ domain keeps the protease inactive in the resting state and allows integration of different OMP-derived stress signals upon folding stress.
Genes Dev., 21, 2007
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2R7K
 | | Crystal structure of FAICAR synthetase (PurP) from M. jannaschii complexed with AMPPCP and AICAR | | Descriptor: | 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofuranosyl 5'-monophosphate synthetase, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, CHLORIDE ION, ... | | Authors: | Zhang, Y, White, R.H, Ealick, S.E. | | Deposit date: | 2007-09-09 | | Release date: | 2007-12-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii.
Biochemistry, 47, 2008
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2KVB
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1J7W
 | | Crystal structure of deoxy HbbetaYQ, a site directed mutant of HbA | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, hemoglobin | | Authors: | Miele, A.E, Draghi, F, Arcovito, A, Bellelli, A, Brunori, M, Travaglini-Allocatelli, C, Vallone, B. | | Deposit date: | 2001-05-19 | | Release date: | 2002-02-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Control of heme reactivity by diffusion: structural basis and functional characterization in hemoglobin mutants.
Biochemistry, 40, 2001
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8CCT
 | | Crystal structure of the human PXR ligand-binding domain in complex with 2,2'-dichloro bisphenol A | | Descriptor: | 2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Derosa, Q, Grimaldi, M, Carivenc, C, Boulahtouf, A, Bourguet, W, Balaguer, P. | | Deposit date: | 2023-01-27 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the hPXR-LBD in complex with 2,2'-dichloro bisphenol A
To Be Published
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2RDT
 | | Crystal Structure of Human Glycolate Oxidase (GO) in Complex with CDST | | Descriptor: | 5-(dodecylthio)-1H-1,2,3-triazole-4-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | | Authors: | Murray, M.S, Holmes, R.P, Lowther, W.T. | | Deposit date: | 2007-09-25 | | Release date: | 2008-02-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Active Site and Loop 4 Movements within Human Glycolate Oxidase: Implications for Substrate Specificity and Drug Design.
Biochemistry, 47, 2008
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