5O7Y
 
 | | Thebaine 6-O-demethylase (T6ODM) from Papaver somniferum in complex with succinate | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICKEL (II) ION, ... | | Authors: | Kluza, A, Niedzialkowska, E, Kurpiewska, K, Porebski, P.J, Borowski, T. | | Deposit date: | 2017-06-10 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway.
J. Struct. Biol., 202, 2018
|
|
4OHU
 | | Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT92 | | Descriptor: | 2-(2-bromophenoxy)-5-hexylphenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Yu, W, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-01-18 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
|
|
5WBV
 | | Crystal Structure of the SET Domain of Human SUV420H1 In Complex With Inhibitor | | Descriptor: | 2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6H)-yl)benzoic acid, Histone-lysine N-methyltransferase KMT5B, S-ADENOSYLMETHIONINE, ... | | Authors: | Halabelian, L, Tempel, W, Brown, P.J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-06-29 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of the SET Domain of Human SUV420H1 In Complex With Inhibitor
To be published
|
|
5OJP
 | | YCF48 bound to D1 peptide | | Descriptor: | Ycf48-like protein | | Authors: | Michoux, F, Nixon, P.J, Murray, J.W. | | Deposit date: | 2017-07-22 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Ycf48 involved in the biogenesis of the oxygen-evolving photosystem II complex is a seven-bladed beta-propeller protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
8TTO
 | |
8TJT
 | | The Fab fragment of an anti-glucagon receptor (GCGR) antibody | | Descriptor: | anti-GCGR Fab heavy chain, anti-GCGR Fab light chain | | Authors: | Dai, J, Carter, P.J, Sudhamsu, J, Kung, J. | | Deposit date: | 2023-07-24 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Variable domain mutational analysis to probe the molecular mechanisms of high viscosity of an IgG 1 antibody.
Mabs, 16, 2024
|
|
5NMH
 | | HLA A02 presenting SLYNTIATL | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | Deposit date: | 2017-04-05 | | Release date: | 2017-11-15 | | Last modified: | 2017-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Dual Molecular Mechanisms Govern Escape at Immunodominant HLA A2-Restricted HIV Epitope.
Front Immunol, 8, 2017
|
|
5NQ2
 | | 'Porcine (Sus scrofa) Major Histocompatibility Complex, class I, presenting IAYERMCNI | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CALCIUM ION, ... | | Authors: | Rizkallah, P.J, Tungatt, K, Sewell, A.K. | | Deposit date: | 2017-04-19 | | Release date: | 2018-04-25 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig.
Plos Pathog., 14, 2018
|
|
2F15
 | | Glycogen-Binding Domain Of The Amp-Activated Protein Kinase beta2 Subunit | | Descriptor: | 5'-AMP-activated protein kinase, beta-2 subunit | | Authors: | Walker, J.R, Wybenga-Groot, L, Finerty Jr, P.J, Newman, E, MacKenzie, F.M, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-11-14 | | Release date: | 2005-12-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the Glycogen-Binding Domain Of The Amp-Activated Protein Kinase beta2 Subunit
To be Published
|
|
5N1Y
 | | HLA-A02 carrying MVWGPDPLYV | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | | Deposit date: | 2017-02-06 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J. Clin. Invest., 126, 2016
|
|
5N2L
 | | Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, SULFATE ION, ... | | Authors: | Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-02-07 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue
To Be Published
|
|
5VFY
 | | Structure of an accessory protein of the pCW3 relaxosome | | Descriptor: | TcpK | | Authors: | Traore, D.A.K, Wisniewski, J.A, Flanigan, S.F, Conroy, P.J, Panjikar, S, Mok, Y.-F, Lao, C, Griffin, M.D.W, Adams, V, Rood, J.I, Whisstock, J.C. | | Deposit date: | 2017-04-10 | | Release date: | 2018-04-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Crystal structure of TcpK in complex with oriT DNA of the antibiotic resistance plasmid pCW3.
Nat Commun, 9, 2018
|
|
5VGA
 | | Alternative model for Fab 36-65 | | Descriptor: | Fab 36-65 heavy chain, Fab 36-65 light chain, TRIETHYLENE GLYCOL | | Authors: | Stanfield, R.L, Rupp, B, Wlodawer, A, Dauter, Z, Porebski, P.J, Minor, W, Jaskolski, M, Pozharski, E, Weichenberger, C.X. | | Deposit date: | 2017-04-10 | | Release date: | 2017-12-06 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
|
|
5OSX
 | | Translation initiation factor 4E in complex with m7G(5'S)ppp(5'S)G mRNA 5' cap analog | | Descriptor: | Eukaryotic translation initiation factor 4E, POTASSIUM ION, [(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(3~{R},4~{S})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-phosphinic acid | | Authors: | Warminski, M, Nowak, E, Wojtczak, B.A, Fac-Dabrowska, K, Kubacka, D, Nowicka, A, Sikorski, P.J, Kowalska, J, Jemielity, J, Nowotny, M. | | Deposit date: | 2017-08-18 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | 5'-Phosphorothiolate Dinucleotide Cap Analogues: Reagents for Messenger RNA Modification and Potent Small-Molecular Inhibitors of Decapping Enzymes.
J. Am. Chem. Soc., 140, 2018
|
|
2CKS
 | | X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF THERMOBIFIDA FUSCA ENDOGLUCANASE CEL5A (E5) | | Descriptor: | BENZAMIDINE, ENDOGLUCANASE E-5, SODIUM ION, ... | | Authors: | Berglund, G.I, Gualfetti, P.J, Requadt, C, Gross, L.S, Bergfors, T, Shaw, A, Saldajeno, M, Mitchinson, C, Sandgren, M. | | Deposit date: | 2006-04-21 | | Release date: | 2007-05-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase Cel5A in Complex with Cellotetraose
To be Published
|
|
2F1D
 | | X-Ray Structure of imidazoleglycerol-phosphate dehydratase | | Descriptor: | Imidazoleglycerol-phosphate dehydratase 1, MANGANESE (II) ION, SULFATE ION | | Authors: | Rice, D.W, Glynn, S.E, Baker, P.J, Sedelnikova, S.E, Davies, C.L, Eadsforth, T.C. | | Deposit date: | 2005-11-14 | | Release date: | 2006-01-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure and mechanism of imidazoleglycerol-phosphate dehydratase.
Structure, 13, 2005
|
|
8UWP
 | | Crystal structure of SETDB1 Tudor domain in complex with MR46747 | | Descriptor: | (3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ... | | Authors: | Shrestha, S, Beldar, S, Dong, A, Ackloo, S, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-11-07 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of SETDB1 Tudor domain in complex with MR46747
To be published
|
|
5OJ5
 | | YCF48 bound to D1 peptide | | Descriptor: | PHE-PRO-LEU-ASP-LEU-ALA, Ycf48-like protein | | Authors: | Michoux, F, Nixon, P.J, Murray, J.W. | | Deposit date: | 2017-07-20 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Ycf48 involved in the biogenesis of the oxygen-evolving photosystem II complex is a seven-bladed beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 115, 2018
|
|
6V53
 | | The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000985494 | | Descriptor: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ... | | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000985494
To Be Published
|
|
5VF5
 | | Crystal structure of the vicilin from Solanum melongena, re-refinement | | Descriptor: | ACETATE ION, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Porebski, P.J, Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | | Deposit date: | 2017-04-06 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
|
|
5VJ6
 | |
8VGC
 | | Complex of ExbD with D-box peptide: Orthorhombic form | | Descriptor: | Biopolymer transport protein ExbD, GLN-PRO-ILE-SER-VAL-THR-MET-VAL-THR-PRO | | Authors: | Loll, P.J. | | Deposit date: | 2023-12-27 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Discovery and structural characterization of the D-box, a conserved TonB motif that couples an inner-membrane motor to outer-membrane transport.
J.Biol.Chem., 300, 2024
|
|
8VGD
 | | Complex of ExbD with D-box peptide: Tetragonal form | | Descriptor: | Biopolymer transport protein ExbD, GLN-PRO-ILE-SER-VAL-THR-MET-VAL-THR | | Authors: | Loll, P.J. | | Deposit date: | 2023-12-27 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Discovery and structural characterization of the D-box, a conserved TonB motif that couples an inner-membrane motor to outer-membrane transport.
J.Biol.Chem., 300, 2024
|
|
4OIM
 | | Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT119 in 2.4 M acetate | | Descriptor: | 2-(2-CYANOPHENOXY)-5-HEXYLPHENOL, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-01-20 | | Release date: | 2014-04-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.848 Å) | | Cite: | Time-Dependent Diaryl Ether Inhibitors of InhA: Structure-Activity Relationship Studies of Enzyme Inhibition, Antibacterial Activity, and in vivo Efficacy.
Chemmedchem, 9, 2014
|
|
5DEN
 | |
