4Q4Y
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4Q4X
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4Q6R
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4OQR
| Structure of a CYP105AS1 mutant in complex with compactin | Descriptor: | CYP105AS1, Mevastatin, Compactin, ... | Authors: | Leys, D. | Deposit date: | 2014-02-10 | Release date: | 2015-02-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Single-step fermentative production of the cholesterol-lowering drug pravastatin via reprogramming of Penicillium chrysogenum. Proc.Natl.Acad.Sci.USA, 112, 2015
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4OP2
| GKRP bound to AMG-0471 and Sorbitol-6-Phosphate | Descriptor: | (2S)-2-{4'-[(6-aminopyridin-3-yl)sulfonyl]biphenyl-4-yl}-1,1,1-trifluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | Authors: | Jordan, S.R, Chmait, S. | Deposit date: | 2014-02-04 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 5. A Novel Aryl Sulfone Series, Optimization Through Conformational Analysis. J.Med.Chem., 58, 2015
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4OZH
| S16 protein complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Gliadin-alpha2 peptide, ... | Authors: | Petersen, J, Reid, H.H, Rossjohn, J. | Deposit date: | 2014-02-16 | Release date: | 2014-04-16 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease. Nat.Struct.Mol.Biol., 21, 2014
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4OFF
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4OFG
| Co-crystal structure of carboxy cGMP binding domain of Plasmodium falciparum PKG with cGMP | Descriptor: | CGMP-dependent protein kinase, CYCLIC GUANOSINE MONOPHOSPHATE, ETHANOL, ... | Authors: | Kim, J.J, Sanabria figueroa, E, Kim, C. | Deposit date: | 2014-01-14 | Release date: | 2015-01-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of the Carboxyl cGMP Binding Domain of the Plasmodium falciparum cGMP-dependent Protein Kinase Reveal a Novel Capping Triad Crucial for Merozoite Egress. Plos Pathog., 11, 2015
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4OB5
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4OLH
| Human GKRP Bound to AMG5106 and Sorbitol-6-Phosphate | Descriptor: | 2-(2-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}-3,3'-bipyridin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | Authors: | Jordan, S.R, Chmait, S. | Deposit date: | 2014-01-23 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 4. Exploration of a novel binding pocket. J.Med.Chem., 57, 2014
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4PNW
| E. coli sliding clamp in complex with (R)-6-bromo-9-(2-((S)-1-carboxy-2-phenylethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | Descriptor: | (2R)-6-bromo-9-(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2014-02-21 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs. J.Med.Chem., 58, 2015
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4OVG
| E. coli sliding clamp in complex with (R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | Descriptor: | (2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2014-02-21 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs. J.Med.Chem., 58, 2015
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4NUM
| Crystal structure of mouse N-cadherin EC1-2 A78SI92M | Descriptor: | CALCIUM ION, Cadherin-2 | Authors: | Jin, X. | Deposit date: | 2013-12-03 | Release date: | 2014-09-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural and energetic determinants of adhesive binding specificity in type I cadherins. Proc.Natl.Acad.Sci.USA, 111, 2014
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4NWL
| Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide | Descriptor: | HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION | Authors: | Muckelbauer, J.K, Klei, H.E. | Deposit date: | 2013-12-06 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection. J.Med.Chem., 57, 2014
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4NXK
| Crystal structure of Abp-D197A, a catalytic mutant of a GH27-b-L-arabinopyranosidase from Geobacillus stearothermophilus | Descriptor: | Abp, a GH27 beta-L-arabinopyranosidase, CITRIC ACID, ... | Authors: | Lansky, S, Solomon, H.V, Salama, R, Belrhali, H, Shoham, Y, Shoham, G. | Deposit date: | 2013-12-09 | Release date: | 2014-12-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-specificity relationships in Abp, a GH27 beta-L-arabinopyranosidase from Geobacillus stearothermophilus T6 Acta Crystallogr.,Sect.D, 70, 2014
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4NUQ
| Crystal structure of mouse N-cadherin EC1-2 W2F | Descriptor: | CALCIUM ION, Cadherin-2 | Authors: | Jin, X. | Deposit date: | 2013-12-03 | Release date: | 2014-09-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.116 Å) | Cite: | Structural and energetic determinants of adhesive binding specificity in type I cadherins. Proc.Natl.Acad.Sci.USA, 111, 2014
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4QCI
| PDGF-B blocking antibody bound to PDGF-BB | Descriptor: | Platelet-derived growth factor subunit B, anti-PDGF-BB antibody - Light Chain, anti-PDGF-BB antibody - Heavy chain | Authors: | Kuai, J, Mosyak, L, Tam, M, LaVallie, E, Pullen, N, Carven, G. | Deposit date: | 2014-05-12 | Release date: | 2015-03-11 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization of Binding Mode of Action of a Blocking Anti-Platelet-Derived Growth Factor (PDGF)-B Monoclonal Antibody, MOR8457, Reveals Conformational Flexibility and Avidity Needed for PDGF-BB To Bind PDGF Receptor-beta. Biochemistry, 54, 2015
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4QEV
| Crystal structure of BRD2(BD2) mutant with ligand ME bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]PROPANOATE) | Descriptor: | Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ... | Authors: | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | Deposit date: | 2014-05-19 | Release date: | 2014-10-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Chemical biology. A bump-and-hole approach to engineer controlled selectivity of BET bromodomain chemical probes. Science, 346, 2014
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4QKW
| Crystal structure of the zebrafish cavin4a HR1 domain | Descriptor: | CHLORIDE ION, Muscle-related coiled-coil protein | Authors: | Kovtun, O, Tillu, V, Parton, R.G, Collins, B.M. | Deposit date: | 2014-06-10 | Release date: | 2015-03-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights into the organization of the cavin membrane coat complex Dev.Cell, 31, 2014
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4QO4
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4QBO
| VRR_NUC domain | Descriptor: | MAGNESIUM ION, Nuclease | Authors: | Smerdon, S.J, Pennell, S, Li, J. | Deposit date: | 2014-05-08 | Release date: | 2014-09-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | FAN1 activity on asymmetric repair intermediates is mediated by an atypical monomeric virus-type replication-repair nuclease domain. Cell Rep, 8, 2014
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4QVX
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4NQQ
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4NQ2
| Structure of Zn(II)-bound metallo-beta-lactamse VIM-2 from Pseudomonas aeruginosa | Descriptor: | ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION | Authors: | Aitha, M, Nix, J.C, Crowder, M.W, Page, R.C. | Deposit date: | 2013-11-23 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Biochemical, Mechanistic, and Spectroscopic Characterization of Metallo-beta-lactamase VIM-2. Biochemistry, 53, 2014
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4NUN
| Crystal structure of copper-bound Na-ASP-2 | Descriptor: | Ancylostoma secreted protein 2, COPPER (II) ION | Authors: | Hofmann, A. | Deposit date: | 2013-12-03 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2. Int.J.Biochem.Cell Biol., 50, 2014
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