2IVV
 
 | | Crystal structure of phosphorylated RET tyrosine kinase domain complexed with the inhibitor PP1 | | Descriptor: | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET PRECURSOR | | Authors: | Knowles, P.P, Murray-Rust, J, McDonald, N.Q. | | Deposit date: | 2006-06-16 | | Release date: | 2006-08-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure and chemical inhibition of the RET tyrosine kinase domain.
J. Biol. Chem., 281, 2006
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2IVU
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2IUA
 | | C. trachomatis LpxD | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PALMITIC ACID, SULFATE ION, ... | | Authors: | Buetow, L, Smith, T.K, Dawson, A, Fyffe, S, Hunter, W.N. | | Deposit date: | 2006-05-30 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure and Reactivity of Lpxd, the N-Acyltransferase of Lipid a Biosynthesis
Proc.Natl.Acad.Sci.USA, 104, 2007
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2IYO
 | | Structural characterization of a bacterial 6PDH reveals aspects of specificity, mechanism and mode of inhibition | | Descriptor: | 6-PHOSPHOGLUCONATE DEHYDROGENASE, DECARBOXYLATING, 6-PHOSPHOGLUCONIC ACID, ... | | Authors: | Sundaramoorthy, R, Iulek, J, Hunter, W.N. | | Deposit date: | 2006-07-21 | | Release date: | 2007-01-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of a Bacterial 6-Phosphogluconate Dehydrogenase Reveal Aspects of Specificity, Mechanism and Mode of Inhibition by Analogues of High-Energy Reaction Intermediates.
FEBS J., 274, 2007
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4IX0
 | | Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy | | Descriptor: | NICKEL (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein | | Authors: | Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D. | | Deposit date: | 2013-01-24 | | Release date: | 2013-08-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy.
J.Am.Chem.Soc., 135, 2013
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4J75
 | | Crystal Structure of a parasite tRNA synthetase, product-bound | | Descriptor: | GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase | | Authors: | Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-02-12 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design.
Mol.Biochem.Parasitol., 189, 2013
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4JWP
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4LJM
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4A4W
 | | Ligand binding domain of human PPAR gamma in complex with amorfrutin B | | Descriptor: | AMORFRUTIN B, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | | Authors: | de Groot, J.C, Weidner, C, Krausze, J, Kawamoto, K, Schroeder, F.C, Sauer, S, Buessow, K. | | Deposit date: | 2011-10-20 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Characterization of Amorfrutins Bound to the Peroxisome Proliferator-Activated Receptor Gamma.
J.Med.Chem., 56, 2013
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4AA7
 | | E.coli GlmU in complex with an antibacterial inhibitor | | Descriptor: | BIFUNCTIONAL PROTEIN GLMU, N-(2,4-dimethoxy-5-{[(2R)-2-methyl-2,3-dihydro-1H-indol-1-yl]sulfonyl}phenyl)acetamide, SULFATE ION | | Authors: | Otterbein, L, Breed, J, Ogg, D.J. | | Deposit date: | 2011-11-30 | | Release date: | 2012-08-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series.
Bioorg.Med.Chem.Lett., 22, 2012
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4KYX
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3RHY
 | | Crystal structure of the dimethylarginine dimethylaminohydrolase adduct with 4-chloro-2-hydroxymethylpyridine | | Descriptor: | (4-chloropyridin-2-yl)methanol, N(G),N(G)-dimethylarginine dimethylaminohydrolase | | Authors: | Monzingo, A.F, Johnson, C.M, Ke, Z, Yoon, D.-W, Linsky, T.W, Guo, H, Fast, W, Robertus, J.D. | | Deposit date: | 2011-04-12 | | Release date: | 2011-06-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | On the mechanism of dimethylarginine dimethylaminohydrolase inactivation by 4-halopyridines.
J.Am.Chem.Soc., 133, 2011
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4A4V
 | | Ligand binding domain of human PPAR gamma in complex with amorfrutin 2 | | Descriptor: | AMORFRUTIN 2, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | | Authors: | de Groot, J.C, Weidner, C, Krausze, J, Kawamoto, K, Schroeder, F.C, Sauer, S, Buessow, K. | | Deposit date: | 2011-10-20 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Characterization of Amorfrutins Bound to the Peroxisome Proliferator-Activated Receptor Gamma.
J.Med.Chem., 56, 2013
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4NQW
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4AC3
 | | S.pneumoniae GlmU in complex with an antibacterial inhibitor | | Descriptor: | BIFUNCTIONAL PROTEIN GLMU, N-{2,4-DIMETHOXY-5-[(2-PIPERIDIN-1-YLBENZYL)sulfamoyl]phenyl}acetamide, SULFATE ION | | Authors: | Otterbein, L, Breed, J, Ogg, D.J. | | Deposit date: | 2011-12-12 | | Release date: | 2012-02-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series.
Bioorg.Med.Chem.Lett., 22, 2012
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4NWJ
 | | Crystal structure of phosphopglycerate mutase from Staphylococcus aureus in 3-phosphoglyceric acid bound form. | | Descriptor: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, 3-PHOSPHOGLYCERIC ACID, MANGANESE (II) ION | | Authors: | Roychowdhury, A, Bose, M, Kundu, A, Gujar, A, Das, A.K. | | Deposit date: | 2013-12-06 | | Release date: | 2015-01-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Complete catalytic cycle of cofactor-independent phosphoglycerate mutase involves a spring-loaded mechanism
Febs J., 282, 2015
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2IXG
 | | Crystal structure of the ATPase domain of TAP1 with ATP (S621A, G622V, D645N mutant) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ANTIGEN PEPTIDE TRANSPORTER 1, GLYCEROL | | Authors: | Procko, E, Ferrin-O'Connell, I, Ng, S.-L, Gaudet, R. | | Deposit date: | 2006-07-08 | | Release date: | 2006-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Distinct Structural and Functional Properties of the ATPase Sites in an Asymmetric Abc Transporter.
Mol.Cell, 24, 2001
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4GYL
 | | The E142L mutant of the amidase from Geobacillus pallidus showing the result of Michael addition of acrylamide at the active site cysteine | | Descriptor: | Aliphatic amidase, CHLORIDE ION, PROPIONAMIDE | | Authors: | Weber, B.W, Sewell, B.T, Kimani, S.W, Varsani, A, Cowan, D.A, Hunter, R. | | Deposit date: | 2012-09-05 | | Release date: | 2013-08-21 | | Last modified: | 2014-02-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The mechanism of the amidases: mutating the glutamate adjacent to the catalytic triad inactivates the enzyme due to substrate mispositioning.
J.Biol.Chem., 288, 2013
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4O1N
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4GYN
 | | The E142L mutant of the amidase from Geobacillus pallidus | | Descriptor: | Aliphatic amidase, CHLORIDE ION | | Authors: | Weber, B.W, Sewell, B.T, Kimani, S.W, Varsani, A, Cowan, D.A, Hunter, R. | | Deposit date: | 2012-09-05 | | Release date: | 2013-08-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The mechanism of the amidases: mutating the glutamate adjacent to the catalytic triad inactivates the enzyme due to substrate mispositioning.
J.Biol.Chem., 288, 2013
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4N9L
 | | crystal structure of beta-lactamse PenP_E166S in complex with meropenem | | Descriptor: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase | | Authors: | Pan, X, Wong, W, Zhao, Y. | | Deposit date: | 2013-10-21 | | Release date: | 2014-09-10 | | Last modified: | 2022-02-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
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4MVW
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433) | | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.901 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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4O4Y
 | | Crystal structure of the anti-hinge rabbit antibody 2095-2 in complex with IDES hinge peptide | | Descriptor: | 2095-2 heavy chain, 2095-2 light chain, GLYCEROL, ... | | Authors: | Malia, T.J, Teplyakov, A, Luo, J, Gilliland, G.L. | | Deposit date: | 2013-12-19 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure and specificity of an antibody targeting a proteolytically cleaved IgG hinge.
Proteins, 82, 2014
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4ASG
 | | The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90 | | Descriptor: | ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, NICKEL (II) ION, [(3R,5S,6R,7R,11S,12Z,14E)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate | | Authors: | Roe, S.M, Prodromou, C. | | Deposit date: | 2012-05-01 | | Release date: | 2013-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Synthesis of 19-Substituted Geldanamycins with Altered Conformations and Their Binding to Heat Shock Protein Hsp90.
Nat.Chem., 5, 2013
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4N9K
 | | crystal structure of beta-lactamse PenP_E166S in complex with cephaloridine | | Descriptor: | 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase | | Authors: | Pan, X, Wong, W, Zhao, Y. | | Deposit date: | 2013-10-21 | | Release date: | 2014-09-10 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
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