4BNI
 
 | | Crystal structure of S. aureus FabI in complex with NADP and 2-(2- aminophenoxy)-5-hexylphenol | | Descriptor: | 2-(2-azanylphenoxy)-5-hexyl-phenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-05-15 | | Release date: | 2013-06-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
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3VUY
 | | Crystal structure of A20 ZF7 in complex with linear tetraubiquitin | | Descriptor: | POTASSIUM ION, Polyubiquitin-C, Tumor necrosis factor alpha-induced protein 3, ... | | Authors: | Nishimasu, H, Ishitani, R, Nureki, O. | | Deposit date: | 2012-07-09 | | Release date: | 2013-02-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.981 Å) | | Cite: | Specific recognition of linear polyubiquitin by A20 zinc finger 7 is involved in NF-kappaB regulation
Embo J., 31, 2012
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4CBG
 | | Pestivirus NS3 helicase | | Descriptor: | ACETATE ION, SERINE PROTEASE NS3 | | Authors: | Tortorici, M.A, Duquerroy, S, Kwok, J, Vonrhein, C, Perez, J, Lamp, B, Bricogne, G, Rumenapf, T, Vachette, P, Rey, F.A. | | Deposit date: | 2013-10-14 | | Release date: | 2015-01-21 | | Last modified: | 2015-10-14 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | X-Ray Structure of the Pestivirus Ns3 Helicase and its Conformation in Solution.
J.Virol., 89, 2015
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3VQ5
 | | HIV-1 IN core domain in complex with N-METHYL-1-(4-METHYL-2-PHENYL-1,3-THIAZOL-5-YL)METHANAMINE | | Descriptor: | CADMIUM ION, CHLORIDE ION, N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-20 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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4BMX
 | | Native structure of futalosine hydrolase of Helicobacter pylori strain 26695 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENINE, MTA/SAH NUCLEOSIDASE | | Authors: | Kim, R.Q, Offen, W.A, Stubbs, K.A, Davies, G.J. | | Deposit date: | 2013-05-12 | | Release date: | 2013-09-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Enzymology of Helicobacter Pylori Methylthioadenosine Nucleosidase in the Futalosine Pathway
Acta Crystallogr.,Sect.D, 70, 2014
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3VVP
 | | Crystal structure of MATE in complex with Br-NRF | | Descriptor: | 6-bromo-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid, Putative uncharacterized protein | | Authors: | Tanaka, Y, Ishitani, R, Nureki, O. | | Deposit date: | 2012-07-27 | | Release date: | 2013-04-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Structural basis for the drug extrusion mechanism by a MATE multidrug transporter.
Nature, 496, 2013
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4BTW
 | | Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(cyclohexylamino)-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, ... | | Authors: | Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A. | | Deposit date: | 2013-06-19 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode.
J.Med.Chem., 56, 2013
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3V8T
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4CNE
 | | Crystal structure of E.coli TrmJ in complex with S-adenosyl-L- homocysteine | | Descriptor: | DI(HYDROXYETHYL)ETHER, S-ADENOSYL-L-HOMOCYSTEINE, TRNA (CYTIDINE/URIDINE-2'-O-)-METHYLTRANSFERASE TRMJ | | Authors: | Van Laer, B, Somme, J, Roovers, M, Steyaert, J, Droogmans, L, Versees, W. | | Deposit date: | 2014-01-22 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization of Two Homologous 2'-O-Methyltransferases Showing Different Specificities for Their tRNA Substrates.
RNA, 20, 2014
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4CKX
 | | Structure of the Mycobacterium tuberculosis Type II Dehydroquinase N12S mutant (Crystal Form 2) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Sedes, A, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2014-01-10 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
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3VC4
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4CMN
 | | Crystal structure of OCRL in complex with a phosphate ion | | Descriptor: | GLYCEROL, INOSITOL POLYPHOSPHATE 5-PHOSPHATASE OCRL-1, MAGNESIUM ION, ... | | Authors: | Tresaugues, L, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Flodin, S, Graslund, S, Karlberg, T, Nyman, T, Schuler, H, Silvander, C, Thorsell, A.G, Weigelt, J, Welin, M, Nordlund, P. | | Deposit date: | 2014-01-16 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Structural Basis for Phosphoinositide Substrate Recognition, Catalysis, and Membrane Interactions in Human Inositol Polyphosphate 5-Phosphatases.
Structure, 22, 2014
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4CNV
 | | Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture | | Descriptor: | CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION | | Authors: | Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. | | Deposit date: | 2014-01-25 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Nat.Commun., 6, 2015
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4D0L
 | | Phosphatidylinositol 4-kinase III beta-PIK93 in a complex with Rab11a- GTP gammaS | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, ... | | Authors: | Burke, J.E, Inglis, A.J, Perisic, O, Masson, G.R, McLaughin, S.H, Rutaganira, F, Shokat, K.M, Williams, R.L. | | Deposit date: | 2014-04-29 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Structures of Pi4Kiiibeta Complexes Show Simultaneous Recruitment of Rab11 and its Effectors.
Science, 344, 2014
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4D45
 | | Crystal structure of S. aureus FabI in complex with NADP and 5-bromo- 2-(4-chloro-2-hydroxyphenoxy)benzonitrile | | Descriptor: | 5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | Authors: | Tareilus, M, Schiebel, J, Chang, A, Tonge, P.J, Sotriffer, C.A, Kisker, C. | | Deposit date: | 2014-10-26 | | Release date: | 2015-03-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction.
Biochemistry, 54, 2015
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4CO0
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3WIW
 | | Crystal structure of unsaturated glucuronyl hydrolase specific for heparin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glycosyl hydrolase family 88 | | Authors: | Nakamichi, Y, Mikami, B, Murata, K, Hashimoto, W. | | Deposit date: | 2013-09-26 | | Release date: | 2014-01-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structure of a bacterial unsaturated glucuronyl hydrolase with specificity for heparin.
J.Biol.Chem., 289, 2014
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4D7L
 | | Methionine sulfoxide reductase A of Corynebacterium diphtheriae | | Descriptor: | CACODYLATE ION, PEPTIDE METHIONINE SULFOXIDE REDUCTASE MSRA, SULFATE ION, ... | | Authors: | Van Molle, I, Tossounian, M.A, Pedre, B, Wahni, K, Vertommen, D, Messens, J. | | Deposit date: | 2014-11-25 | | Release date: | 2015-03-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | Corynebacterium Diphtheriae Methionine Sulfoxide Reductase a Exploits a Unique Mycothiol Redox Relay Mechanism.
J.Biol.Chem., 290, 2015
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3WFH
 | | Crystal structure of anti-Prostaglandin E2 Fab fragment PGE2 complex | | Descriptor: | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, mAb Fab H fragment, mAb Fab L fragment | | Authors: | Sugahara, M, Ago, H, Saino, H, Miyano, M. | | Deposit date: | 2013-07-19 | | Release date: | 2014-07-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of anti-Prostaglandin E2 Fab fragment with Prostaglandin E2
To be Published
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4D3H
 | | Structure of PstA | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, PSTA | | Authors: | Campeotto, I, Freemont, P, Grundling, A. | | Deposit date: | 2014-10-22 | | Release date: | 2014-12-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Complex Structure and Biochemical Characterization of the Staphylococcus Aureus Cyclic Di-AMP Binding Protein Psta, the Founding Member of a New Signal Transduction Protein Family
J.Biol.Chem., 290, 2015
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4CNJ
 | | L-Aminoacetone oxidase from Streptococcus oligofermentans belongs to a new 3-domain family of bacterial flavoproteins | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, L-AMINO ACID OXIDASE | | Authors: | Molla, G, Nardini, M, Motta, P, D'Arrigo, P, Bolognesi, M, Pollegioni, L. | | Deposit date: | 2014-01-23 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Aminoacetone Oxidase from Streptococcus Oligofermentas Belongs to a New Three-Domain Family of Bacterial Flavoproteins.
Biochem.J., 464, 2014
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4CO1
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3WRU
 | | Crystal structure of the bacterial ribosomal decoding site in complex with synthetic aminoglycoside with F-HABA group | | Descriptor: | (2R,3R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-beta-L-threo-hexopyranosyl)-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide, POTASSIUM ION, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | | Authors: | Maianti, J.P, Kanazawa, H, Dozzo, P, Feeney, L.A, Armstrong, E.S, Kondo, J, Hanessian, S. | | Deposit date: | 2014-02-27 | | Release date: | 2014-11-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Toxicity Modulation, Resistance Enzyme Evasion, and A-Site X-ray Structure of Broad-Spectrum Antibacterial Neomycin Analogs
Acs Chem.Biol., 9, 2014
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3WIH
 | | Crystal structure of the third fibronectin domain (Fn3) of human ROBO1 in complex with the Fab fragment of murine monoclonal antibody B2212A. | | Descriptor: | GLYCEROL, Roundabout homolog 1, anti-human ROBO1 antibody B2212A Fab heavy chain, ... | | Authors: | Nakayama, T, Mizohata, E, Yamashita, T, Nagatoishi, M, Iwanari, H, Mochizuki, Y, Kado, Y, Yokota, Y, Sato, R, Tsumoto, K, Fujitani, H, Kodama, T, Hamakubo, T, Inoue, T. | | Deposit date: | 2013-09-12 | | Release date: | 2015-01-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Structural features of interfacial tyrosine residue in ROBO1 fibronectin domain-antibody complex: Crystallographic, thermodynamic, and molecular dynamic analyses
Protein Sci., 24, 2015
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4CNG
 | | Crystal structure of Sulfolobus acidocaldarius TrmJ in complex with S-adenosyl-L-Homocysteine | | Descriptor: | GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, SPOU RRNA METHYLASE | | Authors: | Van Laer, B, Somme, J, Roovers, M, Steyaert, J, Droogmans, L, Versees, W. | | Deposit date: | 2014-01-22 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Characterization of Two Homologous 2'-O-Methyltransferases Showing Different Specificities for Their tRNA Substrates.
RNA, 20, 2014
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