5Z01
 
 | | Native Escherichia coli L,D-carboxypeptidase A (LdcA) | | Descriptor: | MAGNESIUM ION, Murein tetrapeptide carboxypeptidase | | Authors: | Meyer, K, Tame, J.R.H. | | Deposit date: | 2017-12-18 | | Release date: | 2018-04-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The crystal structure and oligomeric form of Escherichia colil,d-carboxypeptidase A.
Biochem. Biophys. Res. Commun., 499, 2018
|
|
6DF6
 | | Crystal structure of estrogen receptor alpha in complex with receptor degrader 16ab | | Descriptor: | (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, GLYCEROL | | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C. | | Deposit date: | 2018-05-14 | | Release date: | 2019-02-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.
Bioorg. Med. Chem. Lett., 29, 2019
|
|
5L7U
 | | Crystal structure of BvGH123 with bound GalNAc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, CHLORIDE ION, Glycoside hydrolase | | Authors: | Roth, C, Petricevic, M, John, A, Goddard-Borger, E.D, Davies, G.J, Williams, S.J. | | Deposit date: | 2016-06-03 | | Release date: | 2017-03-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and mechanistic insights into a Bacteroides vulgatus retaining N-acetyl-beta-galactosaminidase that uses neighbouring group participation.
Chem. Commun. (Camb.), 52, 2016
|
|
7MGY
 | | Sco GlgEI-V279S in complex with 4-alpha-glucoside of valienamine | | Descriptor: | (1R,4S,5S,6R)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Jayasinghe, T.D, Ronning, D.R. | | Deposit date: | 2021-04-13 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Stereoselective synthesis of a 4-⍺-glucoside of valienamine and its X-ray structure in complex with Streptomyces coelicolor GlgE1-V279S.
Sci Rep, 11, 2021
|
|
5L0A
 | | Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state in complex with fructose-1,6-bisphosphate | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2 | | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | | Deposit date: | 2016-07-27 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Structural studies of human muscle FBPase
To Be Published
|
|
8OJM
 | | Galectin-3 in complex with 2,6-anhydro-3-deoxy-3-S-(beta-D-galactopyranosyl)-3-thio-D-glycero-D-galacto-heptonamide | | Descriptor: | (2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide, 1-thio-beta-D-galactopyranose, Galectin-3, ... | | Authors: | Tsagkarakou, A.S, Leonidas, D.D. | | Deposit date: | 2023-03-24 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023
|
|
8OJI
 | | Galectin-3 in complex with Methyl 2,6-anhydro-3-deoxy-3-S-(b-D-galactopyranosyl)-3-thio-D-glycero-L-altro-heptonate | | Descriptor: | 1-thio-beta-D-galactopyranose, CHLORIDE ION, Galectin-3, ... | | Authors: | Tsagkarakou, A.S, Leonidas, D.D. | | Deposit date: | 2023-03-24 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023
|
|
8OJK
 | | Galectin-3 in complex with 2,6-anhydro-3-deoxy-3-S-(beta-D-galactopyranosyl)-3-thio-D-glycero-L-altro-heptonamide | | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide, 1-thio-beta-D-galactopyranose, Galectin-3, ... | | Authors: | Tsagkarakou, A.S, Leonidas, D.D. | | Deposit date: | 2023-03-24 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023
|
|
2XFS
 | | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | | Descriptor: | (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12 | | Authors: | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | | Deposit date: | 2010-05-26 | | Release date: | 2011-06-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
|
|
6SED
 | | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB in complex with galactose | | Descriptor: | ACETATE ION, Beta-galactosidase, FORMIC ACID, ... | | Authors: | Rutkiewicz, M, Bujacz, A, Kaminska, P, Bujacz, G. | | Deposit date: | 2019-07-29 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.233 Å) | | Cite: | Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB.
Int J Mol Sci, 20, 2019
|
|
3ESQ
 | |
4GIX
 | | Crystal structure of human GLTP bound with 12:0 disulfatide | | Descriptor: | Glycolipid transfer protein, N-{(2S,3R,4E)-1-[(3,6-di-O-sulfo-beta-D-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide | | Authors: | Samygina, V.R, Ochoa-Lizarralde, B, Malinina, L. | | Deposit date: | 2012-08-09 | | Release date: | 2013-04-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into lipid-dependent reversible dimerization of human GLTP.
Acta Crystallogr.,Sect.D, 69, 2013
|
|
6VMJ
 | |
3M7R
 | | Crystal structure of VDR H305Q mutant | | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Vitamin D3 receptor | | Authors: | Rochel, N, Hourai, S, Moras, D, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2010-03-17 | | Release date: | 2010-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of hereditary vitamin D-resistant rickets--associated mutant H305Q of vitamin D nuclear receptor bound to its natural ligand
J.Steroid Biochem.Mol.Biol., 121, 2010
|
|
3ESR
 | | Crystal Structure of D,D-heptose1.7-bisphosphate phosphatase from E. coli in complex with calcium and phosphate | | Descriptor: | CALCIUM ION, D,D-heptose 1,7-bisphosphate phosphatase, PHOSPHATE ION, ... | | Authors: | Sugiman-Marangos, S.N, Junop, M.S. | | Deposit date: | 2008-10-06 | | Release date: | 2008-10-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli.
To be Published
|
|
4LX5
 | | X-ray crystal structure of the M6" riboswitch aptamer bound to pyrimido[4,5-d]pyrimidine-2,4-diamine (PPDA) | | Descriptor: | MAGNESIUM ION, Mutated adenine riboswitch aptamer, pyrimido[4,5-d]pyrimidine-2,4-diamine | | Authors: | Dunstan, M.S, Leys, D. | | Deposit date: | 2013-07-29 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Modular riboswitch toolsets for synthetic genetic control in diverse bacterial species.
J.Am.Chem.Soc., 136, 2014
|
|
2XEP
 | | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | | Descriptor: | CHLORIDE ION, GLYCEROL, ORF12 | | Authors: | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | | Deposit date: | 2010-05-17 | | Release date: | 2011-06-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
|
|
9J9A
 | | Staphylococcus aureus exfoliative toxin D | | Descriptor: | SULFATE ION, Serine protease, beta-D-glucopyranose | | Authors: | Tonozuka, T. | | Deposit date: | 2024-08-22 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of exfoliative toxin D from Staphylococcus aureus.
Biochem.Biophys.Res.Commun., 733, 2024
|
|
2XH9
 | | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | | Descriptor: | (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12 | | Authors: | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | | Deposit date: | 2010-06-09 | | Release date: | 2011-06-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
|
|
2XGN
 | | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | | Descriptor: | GLYCEROL, ORF12 | | Authors: | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | | Deposit date: | 2010-06-07 | | Release date: | 2011-06-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
|
|
2XF3
 | | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | | Descriptor: | (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12 | | Authors: | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | | Deposit date: | 2010-05-20 | | Release date: | 2011-06-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
|
|
7U35
 | |
5MM3
 | | Unstructured MamC magnetite-binding protein located between two helices. | | Descriptor: | Sugar ABC transporter substrate-binding protein,Magnetosome protein MamC,Sugar ABC transporter substrate-binding protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Nudelman, H, Zarivach, R. | | Deposit date: | 2016-12-08 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The importance of the helical structure of a MamC-derived magnetite-interacting peptide for its function in magnetite formation.
Acta Crystallogr D Struct Biol, 74, 2018
|
|
5CCR
 | | Human Cyclophilin D Complexed with Inhibitor | | Descriptor: | DI(HYDROXYETHYL)ETHER, FORMIC ACID, POTASSIUM ION, ... | | Authors: | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | | Deposit date: | 2015-07-02 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Human Cyclophilin D Complexed with Inhibitor
To Be Published
|
|
4WMC
 | | OXA-48 covalent complex with Avibactam inhibitor | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE | | Authors: | Mangani, S, Benvenuti, M, Docquier, J.D. | | Deposit date: | 2014-10-08 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48.
Acs Chem.Biol., 10, 2015
|
|
