6C63
 
 | | Crystal Structure of the Mango-II Fluorescent Aptamer Bound to TO1-Biotin | | Descriptor: | 4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium, POTASSIUM ION, RNA (32-MER), ... | | Authors: | Trachman, R.J, Ferre-D'Amare, A.R. | | Deposit date: | 2018-01-17 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.900028 Å) | | Cite: | Crystal Structures of the Mango-II RNA Aptamer Reveal Heterogeneous Fluorophore Binding and Guide Engineering of Variants with Improved Selectivity and Brightness.
Biochemistry, 57, 2018
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4Z25
 | | Mimivirus R135 (residues 51-702) | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Putative GMC-type oxidoreductase R135 | | Authors: | Klose, T, Rossmann, M.G. | | Deposit date: | 2015-03-28 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.339 Å) | | Cite: | A Mimivirus Enzyme that Participates in Viral Entry.
Structure, 23, 2015
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2PVK
 | | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | | Descriptor: | 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha | | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | | Deposit date: | 2007-05-09 | | Release date: | 2008-05-13 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.
Bioorg.Med.Chem.Lett., 17, 2007
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2PVY
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6BY7
 | | Folding DNA into a lipid-conjugated nano-barrel for controlled reconstitution of membrane proteins | | Descriptor: | DNA (26-MER), DNA (27-MER), DNA (29-MER), ... | | Authors: | Dong, Y, Chen, S, Zhang, S, Sodroski, J, Yang, Z, Liu, D, Mao, Y. | | Deposit date: | 2017-12-20 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (7.5 Å) | | Cite: | Folding DNA into a Lipid-Conjugated Nanobarrel for Controlled Reconstitution of Membrane Proteins.
Angew. Chem. Int. Ed. Engl., 57, 2018
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4YXI
 | | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (2). | | Descriptor: | 4-methylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Rechlin, C, Heine, A, Klebe, G. | | Deposit date: | 2015-03-23 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (0.96 Å) | | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
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5TQJ
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2PZR
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5TR4
 | | Structure of Ubiquitin activating enzyme (Uba1) in complex with ubiquitin and TAK-243 | | Descriptor: | Ubiquitin, Ubiquitin-activating enzyme E1 1, [(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate | | Authors: | Sintchak, M.D. | | Deposit date: | 2016-10-25 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification and Characterization of a Small Molecule Inhibitor of the Ubiquitin Activating Enzyme (TAK-243)
To be published
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4YZ7
 | | Crystal structure of Piratoxin I (PrTX-I) complexed to aristolochic acid | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 9-HYDROXY ARISTOLOCHIC ACID, Basic phospholipase A2 homolog piratoxin-1, ... | | Authors: | Fernandes, C.A.H, Fontes, M.R.M. | | Deposit date: | 2015-03-24 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9589 Å) | | Cite: | Structural Basis for the Inhibition of a Phospholipase A2-Like Toxin by Caffeic and Aristolochic Acids.
Plos One, 10, 2015
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5UDW
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with nickel | | Descriptor: | Lactate racemization operon protein LarE, NICKEL (II) ION, PHOSPHATE ION, ... | | Authors: | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | | Deposit date: | 2016-12-28 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.698 Å) | | Cite: | Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6BTC
 | | SCCmec type IV LP1413 - nucleic acids binding protein | | Descriptor: | LP1413 - SCCmec type IV-encoded DNA binding protein | | Authors: | Rice, P.A, Mir-Sanchis, I. | | Deposit date: | 2017-12-06 | | Release date: | 2018-07-25 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.1774075 Å) | | Cite: | Crystal Structure of an Unusual Single-Stranded DNA-Binding Protein Encoded by Staphylococcal Cassette Chromosome Elements.
Structure, 26, 2018
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5UEI
 | | Crystal Structure of Variable Lymphocyte Receptor (VLR) O13 (Apo) | | Descriptor: | CHLORIDE ION, GLYCEROL, O13 | | Authors: | Gunn, R.J, Collins, B.C, McKitrick, T.R, Cummings, R.D, Herrin, B.R, Cooper, M.D, Wilson, I.A. | | Deposit date: | 2017-01-02 | | Release date: | 2017-10-18 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Structural Insights into VLR Fine Specificity for Blood Group Carbohydrates.
Structure, 25, 2017
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4YZR
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4Z0L
 | | The murine cyclooxygenase-2 complexed with a nido-dicarbaborate-containing indomethacin derivative | | Descriptor: | (R)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, (S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, S, Neumann, W, Banerjee, S, Hey-Hawkins, E, Marnett, L.J. | | Deposit date: | 2015-03-26 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | nido-Dicarbaborate Induces Potent and Selective Inhibition of Cyclooxygenase-2.
Chemmedchem, 11, 2016
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6C5A
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6C6D
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6BVR
 | | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from Cupriavidus metallidurans | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION | | Authors: | Yang, Y, Liu, F, Liu, A. | | Deposit date: | 2017-12-13 | | Release date: | 2018-06-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018
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4Z42
 | | Crystal structure of urease from Yersinia enterocolitica | | Descriptor: | NICKEL (II) ION, Urease subunit alpha, Urease subunit beta, ... | | Authors: | Studer, G, Jakob, R.P, Mahi, M.A, Wiesand, U, Schwede, T, Maier, T. | | Deposit date: | 2015-04-01 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Crystal structure of urease from Yersinia enterocolitica
To Be Published
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2Q1W
 | | Crystal structure of the Bordetella bronchiseptica enzyme WbmH in complex with NAD+ | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase | | Authors: | King, J.D, Harmer, N.J, Maskell, D.J, Blundell, T.L. | | Deposit date: | 2007-05-25 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
J.Mol.Biol., 374, 2007
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5TVC
 | | Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine (TI-5312) | | Descriptor: | (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine, PENTAETHYLENE GLYCOL, SULFATE ION, ... | | Authors: | Bobango, J, Wu, J, Talley, I.T, Talley, T.T. | | Deposit date: | 2016-11-08 | | Release date: | 2016-11-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.926 Å) | | Cite: | Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine (TI-5312)
To Be Published
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4ZCV
 | | Structure of calcium-bound regulatory domain of the human ATP-Mg/Pi carrier in the P212121 form | | Descriptor: | CALCIUM ION, Calcium-binding mitochondrial carrier protein SCaMC-1, GLYCEROL, ... | | Authors: | Harborne, S.P.D, Ruprecht, J.J, Kunji, E.R.S. | | Deposit date: | 2015-04-16 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Calcium-induced conformational changes in the regulatory domain of the human mitochondrial ATP-Mg/Pi carrier.
Biochim.Biophys.Acta, 1847, 2015
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4Z6W
 | | Structure of H200N variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with 4-nitrocatechol at 1.57 Ang resolution | | Descriptor: | 4-NITROCATECHOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kovaleva, E.G, Lipscomb, J.D. | | Deposit date: | 2015-04-06 | | Release date: | 2015-08-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015
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6BL3
 | | Crystal Complex of Cyclooxygenase-2 with indomethacin-butyldiamine-dansyl conjugate | | Descriptor: | 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | | Deposit date: | 2017-11-09 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.217 Å) | | Cite: | Fluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site.
J.Biol.Chem., 294, 2019
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2Q47
 | | Ensemble refinement of the protein crystal structure of a putative phosphoprotein phosphatase from Arabidopsis thaliana gene At1g05000 | | Descriptor: | Probable tyrosine-protein phosphatase At1g05000, SULFATE ION | | Authors: | Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2007-05-31 | | Release date: | 2007-06-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
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