5BO3
 
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6GC1
 | | Crystal structure of Trx-like and NHL repeat containing domains of human NHLRC2 | | Descriptor: | NHL repeat-containing protein 2 | | Authors: | Biterova, E, Uusimaa, J, Hinttala, R, Ruddock, L.W. | | Deposit date: | 2018-04-16 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural analysis of human NHLRC2, mutations of which are associated with FINCA disease.
PLoS ONE, 13, 2018
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6HCX
 | | Influenza Virus N9 Neuraminidase A complex with Zanamivir molecule (Tern). | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | | Deposit date: | 2018-08-16 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation)
To Be Published
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3HXW
 | | Crystal Structure of catalytic fragment of E. coli AlaRS in complex with SerSA | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, ... | | Authors: | Guo, M, Yang, X.-L, Schimmel, P. | | Deposit date: | 2009-06-22 | | Release date: | 2009-12-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
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1TVR
 | | HIV-1 RT/9-CL TIBO | | Descriptor: | 4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, REVERSE TRANSCRIPTASE | | Authors: | Das, K, Ding, J, Hsiou, Y, Arnold, E. | | Deposit date: | 1996-04-16 | | Release date: | 1997-03-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant.
J.Mol.Biol., 264, 1996
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6HDU
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6HEF
 | | Room temperature structure of the (SR)Ca2+-ATPase Ca2-E1-CaAMPPCP form | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Hjorth-Jensen, S, Sorensen, T.L.M, Oksanen, E, Andersen, J.L, Olesen, C, Moller, J.V, Nissen, P. | | Deposit date: | 2018-08-20 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.538 Å) | | Cite: | Membrane-protein crystals for neutron diffraction.
Acta Crystallogr D Struct Biol, 74, 2018
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6FFX
 | | Crystal structure of R. ruber ADH-A, mutant F43H | | Descriptor: | Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | Authors: | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | | Deposit date: | 2018-01-09 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Directed Evolution of Alcohol Dehydrogenase for Improved Stereoselective Redox Transformations of 1-Phenylethane-1,2-diol and Its Corresponding Acyloin.
Biochemistry, 57, 2018
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6MAW
 | | F9 Pilus Adhesin FmlH Lectin Domain from E. coli UTI89 in Complex with Galactoside N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[S-methyl-6-(trifluoromethyl)-[1,1'-biphenyl]-3'-yl]oxy}oxan-3-yl]acetamide | | Descriptor: | Fimbrial adhesin FmlD, N-[2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}-6'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]methanesulfonamide | | Authors: | Klein, R.D, Hultgren, S.J. | | Deposit date: | 2018-08-28 | | Release date: | 2019-09-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Biphenyl Gal and GalNAc FmlH Lectin Antagonists of Uropathogenic E. coli (UPEC): Optimization through Iterative Rational Drug Design.
J.Med.Chem., 62, 2019
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6HF6
 | | Crystal structure of the Protease 1 (E29A,E60A,E80A) from Pyrococcus horikoshii co-crystallized with Tb-Xo4. | | Descriptor: | Deglycase PH1704, MALONATE ION, TERBIUM(III) ION, ... | | Authors: | Engilberge, S, Wagner, T, Santoni, G, Breyton, C, Shima, S, Franzetti, B, Riobe, F, Maury, O, Girard, E. | | Deposit date: | 2018-08-21 | | Release date: | 2019-06-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Protein crystal structure determination with the crystallophore, a nucleating and phasing agent.
J.Appl.Crystallogr., 52, 2019
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6FHG
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2WMH
 | | Crystal structure of the catalytic module of a family 98 glycoside hydrolase from Streptococcus pneumoniae TIGR4 in complex with the H- disaccharide blood group antigen. | | Descriptor: | FUCOLECTIN-RELATED PROTEIN, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose | | Authors: | Higgins, M.A, Whitworth, G.E, El Warry, N, Randriantsoa, M, Samain, E, Burke, R.D, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2009-06-30 | | Release date: | 2009-07-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Differential Recognition and Hydrolysis of Host Carbohydrate-Antigens by Streptococcus Pneumoniae Family 98 Glycoside Hydrolases.
J.Biol.Chem., 284, 2009
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2X86
 | | AGME bound to ADP-B-mannose | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADP-L-GLYCERO-D-MANNO-HEPTOSE-6-EPIMERASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Kowatz, T, Morrison, J.P, Tanner, M.E, Naismith, J.H. | | Deposit date: | 2010-03-06 | | Release date: | 2010-03-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Crystal Structure of the Y140F Mutant of Adp-L-Glycero-D-Manno-Heptose 6-Epimerase Bound to Adp-Beta-D-Mannose Suggests a One Base Mechanism.
Protein Sci., 19, 2010
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2WNK
 | | Structure of SporoSAG from Toxoplasma gondii | | Descriptor: | SPOROZOITE-SPECIFIC SAG PROTEIN | | Authors: | Crawford, J, Lamb, E, Grujic, O, Grigg, M.E, Boulanger, M.J. | | Deposit date: | 2009-07-09 | | Release date: | 2010-02-02 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and Functional Characterization of Sporosag: A Sag2 Related Surface Antigen from Toxoplasma Gondii.
J.Biol.Chem., 285, 2010
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5NHO
 | | Human Erk2 with an Erk1/2 inhibitor | | Descriptor: | (6~{S})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | Deposit date: | 2017-03-22 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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3I5D
 | | Crystal structure of the ATP-gated P2X4 ion channel in the closed, apo state at 3.5 Angstroms (R3) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P2X purinoceptor | | Authors: | Kawate, T, Michel, J.C, Gouaux, E. | | Deposit date: | 2009-07-05 | | Release date: | 2009-08-04 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (3.46 Å) | | Cite: | Crystal structure of the ATP-gated P2X(4) ion channel in the closed state.
Nature, 460, 2009
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6FDQ
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5B03
 | | Structure of MoeN5-Sso7d fusion protein in complex with geranyl pyrophosphate | | Descriptor: | GERANYL DIPHOSPHATE, MoeN5,DNA-binding protein 7d | | Authors: | Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O. | | Deposit date: | 2015-10-27 | | Release date: | 2016-03-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5NHV
 | | Human Erk2 with an Erk1/2 inhibitor | | Descriptor: | 7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{H}-pyrrolo[1,2-a]pyrazin-1-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | Deposit date: | 2017-03-22 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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6F6D
 | | The catalytic domain of KDM6B in complex with H3(17-33)K18IA21M peptide | | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, Histone 3 peptide H3(17-33)K18IA21M, ... | | Authors: | Jones, S.E, Olsen, L, Gajhede, M. | | Deposit date: | 2017-12-05 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.81810677 Å) | | Cite: | Structural Basis of Histone Demethylase KDM6B Histone 3 Lysine 27 Specificity.
Biochemistry, 57, 2018
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4CYJ
 | | Chaetomium thermophilum Pan2:Pan3 complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, ... | | Authors: | Wolf, J, Valkov, E, Allen, M.D, Meineke, B, Gordiyenko, Y, McLaughlin, S.H, Olsen, T.M, Robinson, C.V, Bycroft, M, Stewart, M, Passmore, L.A. | | Deposit date: | 2014-04-11 | | Release date: | 2014-06-11 | | Last modified: | 2014-07-30 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structural Basis for Pan3 Binding to Pan2 and its Function in Mrna Recruitment and Deadenylation
Embo J., 33, 2014
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1KU8
 | | Crystal structure of Jacalin | | Descriptor: | JACALIN ALPHA CHAIN, JACALIN BETA CHAIN | | Authors: | Bourne, Y, Astoul, C.H, Zamboni, V, Peumans, W.J, Menu-Bouaouiche, L, Van Damme, E.J.M, Barre, A, Rouge, P. | | Deposit date: | 2002-01-21 | | Release date: | 2002-06-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for the unusual carbohydrate-binding specificity of jacalin towards galactose and mannose.
Biochem.J., 364, 2002
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3FUT
 | | Apo-form of T. thermophilus 16S rRNA A1518 and A1519 methyltransferase (KsgA) in space group P21212 | | Descriptor: | Dimethyladenosine transferase | | Authors: | Demirci, H, Belardinelli, R, Seri, E, Gregory, S.T, Gualerzi, C, Dahlberg, A.E, Jogl, G. | | Deposit date: | 2009-01-14 | | Release date: | 2009-03-31 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural rearrangements in the active site of the Thermus thermophilus 16S rRNA methyltransferase KsgA in a binary complex with 5'-methylthioadenosine.
J.Mol.Biol., 388, 2009
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4QFD
 | | Co-crystal structure of compound 2 (3-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)propanoic acid) and FAD bound to human DAAO at 2.85A | | Descriptor: | 3-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)propanoic acid, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Edwards, T.E, Chun, L, Arakaki, T.L. | | Deposit date: | 2014-05-20 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Novel human D-amino acid oxidase inhibitors stabilize an active-site lid-open conformation.
Biosci.Rep., 34, 2014
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2WRT
 | | The 2.4 Angstrom structure of the Fasciola hepatica mu class GST, GST26 | | Descriptor: | CHLORIDE ION, GLUTATHIONE S-TRANSFERASE CLASS-MU 26 KDA ISOZYME 51 | | Authors: | Line, K, Isupov, M.N, LaCourse, E.J, Brophy, P.M, Littlechild, J.A. | | Deposit date: | 2009-09-02 | | Release date: | 2010-09-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The 2.5 Angstrom Structure of a Mu Class Gst from Fasciola Hepatica
To be Published
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