5GUL
 
 | | Crystal structure of Tris/PPix2/Mg2+ bound form of cyclolavandulyl diphosphate synthase (CLDS) from Streptomyces sp. CL190 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclolavandulyl diphosphate synthase, MAGNESIUM ION, ... | | Authors: | Tomita, T, Kobayashi, M, Nishiyama, M, Kuzuyama, T. | | Deposit date: | 2016-08-29 | | Release date: | 2017-08-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure and Mechanism of the Monoterpene Cyclolavandulyl Diphosphate Synthase that Catalyzes Consecutive Condensation and Cyclization.
Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
7T13
 | |
7T12
 | | Hexameric HIV-1 (O-group) CA | | Descriptor: | Capsid protein p24 | | Authors: | Jacques, D.A, James, L.C. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
|
|
7T15
 | | Hexameric SIVcpz CA | | Descriptor: | Capsid protein p24 | | Authors: | Jacques, D.A, Dickson, C.F, James, L.C. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
|
|
7T14
 | | Hexameric SIVmac CA | | Descriptor: | Capsid protein p24 | | Authors: | Jacques, D.A, James, L.C. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
|
|
2O11
 | |
8TCZ
 | |
5FZ9
 | | Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment thieno(3,2-b)thiophene-5-carboxylic acid (N06263b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | Deposit date: | 2016-03-12 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment Thieno(3,2-B)Thiophene -5-Carboxylic Acid (N06263B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
|
|
2NUD
 | | The structure of the type III effector AvrB complexed with a high-affinity RIN4 peptide | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Avirulence B protein, RPM1-interacting protein 4, ... | | Authors: | Singer, A.U, Desveaux, D, Wu, A.J, McNulty, B, Sondek, J, Dangl, J.L. | | Deposit date: | 2006-11-09 | | Release date: | 2007-05-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Type III Effector Activation via Nucleotide Binding, Phosphorylation, and Host Target Interaction.
Plos Pathog., 3, 2007
|
|
8BXV
 | | Crystal structure of Odorant Binding Protein 5 from Anopheles gambiae (AgamOBP5) with Thymol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-METHYL-2-(1-METHYLETHYL)PHENOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Liggri, P.G.V, Tsitsanou, K.E, Zographos, S.E. | | Deposit date: | 2022-12-10 | | Release date: | 2023-03-22 | | Last modified: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The structure of AgamOBP5 in complex with the natural insect repellents Carvacrol and Thymol: Crystallographic, fluorescence and thermodynamic binding studies.
Int.J.Biol.Macromol., 237, 2023
|
|
7OLU
 | |
5GLM
 | | Crystal structure of CoXyl43, GH43 beta-xylosidase/alpha-arabinofuranosidase from a compost microbial metagenome in complex with xylotriose, calcium-free form. | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Glycoside hydrolase family 43, ... | | Authors: | Matsuzawa, T, Kishine, N, Fujimoto, Z, Yaoi, K. | | Deposit date: | 2016-07-12 | | Release date: | 2017-03-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of metagenomic beta-xylosidase/ alpha-l-arabinofuranosidase activated by calcium.
J. Biochem., 162, 2017
|
|
6ZIS
 | | Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide, TETRAETHYLENE GLYCOL, ... | | Authors: | Southall, S.M. | | Deposit date: | 2020-06-26 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine.
J.Med.Chem., 63, 2020
|
|
2O5X
 | |
6O98
 | | Crystal structure of RAR-related orphan receptor C in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor | | Descriptor: | 1-(4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one, Nuclear receptor ROR-gamma | | Authors: | Sack, J.S. | | Deposit date: | 2019-03-13 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.
ACS Med Chem Lett, 10, 2019
|
|
2PPC
 | |
2PP9
 | | Nitrate bound wild type oxidized AfNiR | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, COPPER (I) ION, ... | | Authors: | Murphy, M.E.P, Tocheva, E.I. | | Deposit date: | 2007-04-28 | | Release date: | 2008-04-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Conserved active site residues limit inhibition of a copper-containing nitrite reductase by small molecules.
Biochemistry, 47, 2008
|
|
7POR
 | |
7POS
 | | PI3 kinase delta in complex with 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(5-{3-[4-(propan-2-yl)piperazin-1-yl]prop-1-yn-1-yl}pyridin-3-yl)pyridine-3-sulfonamide | | Descriptor: | 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Rowland, P, Convery, M. | | Deposit date: | 2021-09-09 | | Release date: | 2021-09-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.493 Å) | | Cite: | Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode.
J.Med.Chem., 64, 2021
|
|
2NUN
 | | The structure of the type III effector AvrB complexed with ADP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Avirulence B protein | | Authors: | Singer, A.U, Desveaux, D, Wu, A.J, McNulty, B, Dangl, J.L, Sondek, J. | | Deposit date: | 2006-11-09 | | Release date: | 2007-05-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Type III Effector Activation via Nucleotide Binding, Phosphorylation, and Host Target Interaction.
Plos Pathog., 3, 2007
|
|
2POS
 | | Crystal Structure of sylvaticin, a new secreted protein from pythium sylvaticum | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, NICKEL (II) ION, ... | | Authors: | Lascombe, M.B, Prange, T. | | Deposit date: | 2007-04-27 | | Release date: | 2008-03-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of sylvaticin, a new alpha-elicitin-like protein from Pythium sylvaticum.
Acta Crystallogr.,Sect.D, 63, 2007
|
|
2PP8
 | | Formate bound to oxidized wild type AfNiR | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, COPPER (I) ION, ... | | Authors: | Tocheva, E.I, Eltis, L.D, Murphy, M.E.P. | | Deposit date: | 2007-04-28 | | Release date: | 2008-04-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Conserved active site residues limit inhibition of a copper-containing nitrite reductase by small molecules.
Biochemistry, 47, 2008
|
|
2PKW
 | | Crystal structure of UPF0341 protein yhiQ from Salmonella typhimurium, Northeast Structural Genomics Consortium Target StR221 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, UPF0341 protein yhiQ | | Authors: | Forouhar, F, Su, M, Seetharaman, J, Fang, Y, Xiao, R, Cunningham, K, Ma, L.-C, Owens, L, Liu, J, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-04-18 | | Release date: | 2007-05-01 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of UPF0341 protein yhiQ from Salmonella typhimurium.
To be Published
|
|
2PPE
 | | Reduced H145A mutant of AfNiR exposed to NO | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, COPPER (I) ION, ... | | Authors: | Tocheva, E.I, Murphy, M.E.P. | | Deposit date: | 2007-04-28 | | Release date: | 2008-01-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Stable copper-nitrosyl formation by nitrite reductase in either oxidation state
Biochemistry, 46, 2007
|
|
2PR0
 | | Crystal structure of Sylvaticin, a new secreted protein from Pythium Sylvaticum | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NICKEL (II) ION, sylvaticin | | Authors: | Lascombe, M.B, Prange, T, Retailleau, P. | | Deposit date: | 2007-05-03 | | Release date: | 2008-03-18 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structure of sylvaticin, a new alpha-elicitin-like protein from Pythium sylvaticum.
Acta Crystallogr.,Sect.D, 63, 2007
|
|
