3QLH
| HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket | Descriptor: | (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | Authors: | Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E. | Deposit date: | 2011-02-02 | Release date: | 2011-12-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H. J.Med.Chem., 54, 2011
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3G43
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3G4Z
| Crystal Structure of NiSOD Y9F mutant at 1.9 A | Descriptor: | BROMIDE ION, NICKEL (II) ION, Superoxide dismutase [Ni] | Authors: | Garman, S.C, Guce, A.I, Herbst, R.W, Bryngelson, P.A, Cabelli, D.E, Higgins, K.A, Ryan, K.C, Maroney, M.J. | Deposit date: | 2009-02-04 | Release date: | 2009-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Role of conserved tyrosine residues in NiSOD catalysis: a case of convergent evolution Biochemistry, 48, 2009
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3G5D
| Kinase domain of cSrc in complex with Dasatinib | Descriptor: | GLYCEROL, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase Src | Authors: | Grutter, C, Kluter, S, Rauh, D. | Deposit date: | 2009-02-05 | Release date: | 2009-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Hybrid compound design to overcome the gatekeeper T338M mutation in cSrc J.Med.Chem., 52, 2009
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3FUR
| Crystal Structure of PPARg in complex with INT131 | Descriptor: | 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide, CHLORIDE ION, Nuclear receptor coactivator 1, ... | Authors: | Wang, Z, Liu, J, Walker, N. | Deposit date: | 2009-01-14 | Release date: | 2009-06-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | INT131: a selective modulator of PPAR gamma. J.Mol.Biol., 386, 2009
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3QGJ
| 1.3A Structure of alpha-Lytic Protease Bound to Ac-AlaAlaPro-Alanal | Descriptor: | 1,2-ETHANEDIOL, Ac-AlaAlaPro-Alanal peptide, Alpha-lytic protease, ... | Authors: | Everill, P, Meinke, G, Bohm, A, Bachovchin, W. | Deposit date: | 2011-01-24 | Release date: | 2012-02-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Substrate Binding Defines Ser195 Position in the Catalytic Triad of Serine Proteases, Not His57 protonation To be Published
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3G84
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3QO1
| Monoclinic form of IgG1 Fab fragment (apo form) sharing same Fv as IgA | Descriptor: | Fab fragment of IMMUNOGLOBULIN G1 HEAVY CHAIN, Fab fragment of IMMUNOGLOBULIN G1 LIGHT CHAIN, GLYCEROL | Authors: | Trajtenberg, F, Correa, A, Buschiazzo, A. | Deposit date: | 2011-02-09 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of a human IgA1 Fab fragment at 1.55 angstrom resolution: potential effect of the constant domains on antigen-affinity modulation Acta Crystallogr.,Sect.D, 69, 2013
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3QPN
| Structure of PDE10-inhibitor complex | Descriptor: | 6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline, MAGNESIUM ION, SULFATE ION, ... | Authors: | Pandit, J, Marr, E.S. | Deposit date: | 2011-02-14 | Release date: | 2011-06-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia. J.Med.Chem., 54, 2011
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3QH7
| 2.5 A resolution structure of Se-Met labeled CT296 from Chlamydia trachomatis | Descriptor: | CT296 | Authors: | Kemege, K, Hickey, J, Lovell, S, Battaile, K.P, Zhang, Y, Hefty, P.S. | Deposit date: | 2011-01-25 | Release date: | 2011-10-05 | Last modified: | 2018-10-10 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Ab initio structural modeling of and experimental validation for Chlamydia trachomatis protein CT296 reveal structural similarity to Fe(II) 2-oxoglutarate-dependent enzymes. J. Bacteriol., 193, 2011
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3FVQ
| Crystal structure of the nucleotide binding domain FbpC complexed with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Fe(3+) ions import ATP-binding protein fbpC | Authors: | Newstead, S, Bilton, P, Carpenter, E.P, Campopiano, D, Iwata, S. | Deposit date: | 2009-01-16 | Release date: | 2009-08-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insights into how nucleotide-binding domains power ABC transport. Structure, 17, 2009
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3QHX
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3QR9
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3FX0
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3QIX
| Crystal Structure of BoNT/A LC with Zinc bound | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ZINC ION | Authors: | Thompson, A.A, Han, G.W, Stevens, R.C. | Deposit date: | 2011-01-28 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.413 Å) | Cite: | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry, 50, 2011
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3GAH
| Structure of a F112H variant PduO-type ATP:corrinoid adenosyltransferase from Lactobacillus reuteri complexed with cobalamin and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, Cobalamin adenosyltransferase PduO-like protein, ... | Authors: | St Maurice, M, Mera, P.E, Escalante-Semerena, J.C, Rayment, I. | Deposit date: | 2009-02-17 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Residue Phe112 of the human-type corrinoid adenosyltransferase (PduO) enzyme of Lactobacillus reuteri is critical to the formation of the four-coordinate Co(II) corrinoid substrate and to the activity of the enzyme. Biochemistry, 48, 2009
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3QSI
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3QU1
| Peptide deformylase from Vibrio cholerae | Descriptor: | CHLORIDE ION, Peptide deformylase 2, SULFATE ION, ... | Authors: | Osipiuk, J, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-02-23 | Release date: | 2011-03-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Peptide deformylase from Vibrio cholerae. To be Published
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3QK7
| Crystal structure of putative Transcriptional regulator from Yersinia pestis biovar Microtus str. 91001 | Descriptor: | Transcriptional regulators | Authors: | Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2011-01-31 | Release date: | 2011-02-09 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of putative Transcriptional regulator from Yersinia pestis biovar Microtus str. 91001 To be Published
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3GCN
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3QUF
| The structure of a family 1 extracellular solute-binding protein from Bifidobacterium longum subsp. infantis | Descriptor: | ACETIC ACID, Extracellular solute-binding protein, family 1, ... | Authors: | Cuff, M.E, Xu, X, Cui, H, Chin, S, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-02-23 | Release date: | 2011-05-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structure of a family 1 extracellular solute-binding protein from Bifidobacterium longum subsp. infantis TO BE PUBLISHED
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3FYM
| The 1A structure of YmfM, a putative DNA-binding membrane protein from Staphylococcus aureus | Descriptor: | Putative uncharacterized protein, ZINC ION | Authors: | Xu, L, Sedelnikova, S.E, Baker, P.J, Rice, D.W. | Deposit date: | 2009-01-22 | Release date: | 2010-02-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | The 1A structure of YmfM, a putative DNA-binding membrane protein from Staphylococcus aureus To be Published
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3QL2
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3QV2
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3FZI
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