1TGV
 
 | | Structure of E. coli Uridine Phosphorylase complexed with 5-Fluorouridine and sulfate | | Descriptor: | 5-FLUOROURIDINE, POTASSIUM ION, SULFATE ION, ... | | Authors: | Bu, W, Settembre, E.C, Sanders, J.M, Begley, T.P, Ealick, S.E. | | Deposit date: | 2004-05-31 | | Release date: | 2005-06-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of E. coli Uridine Phosphorylase
To be Published, 2004
|
|
7TOK
 | | Crystal structure of the CBM domain of carbohydrate esterase FjoAcXE | | Descriptor: | Acetylxylan esterase I | | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | | Deposit date: | 2022-01-24 | | Release date: | 2022-04-13 | | Last modified: | 2022-11-02 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans.
Molecules, 27, 2022
|
|
7TOG
 | | Crystal structure of carbohydrate esterase PbeAcXE, apoenzyme | | Descriptor: | SGNH hydrolase | | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | | Deposit date: | 2022-01-24 | | Release date: | 2022-04-13 | | Last modified: | 2022-11-02 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans.
Molecules, 27, 2022
|
|
7TOI
 | | Crystal structure of carbohydrate esterase PbeAcXE, in complex with acetate | | Descriptor: | ACETATE ION, SGNH hydrolase | | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | | Deposit date: | 2022-01-24 | | Release date: | 2022-04-13 | | Last modified: | 2022-11-02 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans.
Molecules, 27, 2022
|
|
5LAK
 | | Ligand-bound structure of Cavally Virus 3CL Protease | | Descriptor: | 3Cl Protease, BEZ-TYR-TYR-ASN-ECC Peptide inhibitor, PENTAETHYLENE GLYCOL, ... | | Authors: | Kanitz, M, Heine, A, Diederich, W.E. | | Deposit date: | 2016-06-14 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Structural basis for catalysis and substrate specificity of a 3C-like cysteine protease from a mosquito mesonivirus.
Virology, 533, 2019
|
|
6BVE
 | |
7TOH
 | | Crystal structure of carbohydrate esterase PbeAcXE, in complex with MeGlcpA-Xylp | | Descriptor: | 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose, SGNH hydrolase | | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | | Deposit date: | 2022-01-24 | | Release date: | 2022-04-13 | | Last modified: | 2022-11-02 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans.
Molecules, 27, 2022
|
|
5L7F
 | | Crystal structure of MMP12 mutant K421A in complex with RXP470.1 conjugated with fluorophore Cy5,5 in space group P21. | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ... | | Authors: | Tepshi, L, Bordenave, T, Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A. | | Deposit date: | 2016-06-03 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis and in Vitro and in Vivo Evaluation of MMP-12 Selective Optical Probes.
Bioconjug.Chem., 27, 2016
|
|
5UN1
 | | Crystal structure of GluN1/GluN2B delta-ATD NMDA receptor | | Descriptor: | (5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Song, X, Gouaux, E. | | Deposit date: | 2017-01-30 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Mechanism of NMDA receptor channel block by MK-801 and memantine.
Nature, 556, 2018
|
|
3NXW
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS L125A at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Schlessman, J.L, Garcia-Moreno, E.B, Heroux, A. | | Deposit date: | 2010-07-14 | | Release date: | 2011-07-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
5KNE
 | | CryoEM Reconstruction of Hsp104 Hexamer | | Descriptor: | Heat shock protein 104, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Yokom, A.L, Gates, S.N, Jackrel, M.E, Mack, K.L, Su, M, Shorter, J, Southworth, D.R. | | Deposit date: | 2016-06-28 | | Release date: | 2016-07-27 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (5.64 Å) | | Cite: | Spiral architecture of the Hsp104 disaggregase reveals the basis for polypeptide translocation.
Nat.Struct.Mol.Biol., 23, 2016
|
|
6CX8
 | | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae in complex with manganese ions. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, MANGANESE (II) ION, ... | | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-04-02 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae in complex with manganese ions.
To Be Published
|
|
2VHU
 | | P4 PROTEIN FROM BACTERIOPHAGE PHI12 K241C mutant in complex with ADP and MgCl | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NTPASE P4 | | Authors: | Kainov, D.E, Mancini, E.J, Telenius, J, Lisal, J, Grimes, J.M, Bamford, D.H, Stuart, D.I, Tuma, R. | | Deposit date: | 2007-11-25 | | Release date: | 2007-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural Basis of Mechanochemical Coupling in a Hexameric Molecular Motor.
J.Biol.Chem., 283, 2008
|
|
5KRI
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 16b-benzyl 17b-estradiol | | Descriptor: | (8~{R},9~{S},13~{S},14~{S},16~{R},17~{S})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-07-07 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.247 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
|
|
1SUO
 | | Structure of mammalian cytochrome P450 2B4 with bound 4-(4-chlorophenyl)imidazole | | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Scott, E.E, White, M.A, He, Y.A, Johnson, E.F, Stout, C.D, Halpert, J.R. | | Deposit date: | 2004-03-26 | | Release date: | 2004-07-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of mammalian cytochrome P450 2B4 complexed with 4-(4-chlorophenyl)imidazole at 1.9 {angstrom} resolution: Insight into the range of P450 conformations and coordination of redox partner binding.
J.Biol.Chem., 279, 2004
|
|
5G2N
 | | X-ray structure of PI3Kinase Gamma in complex with Copanlisib | | Descriptor: | 2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | | Authors: | Schaefer, M, Scott, W.J, Hentemann, M.F, Rowley, R.B, Bull, C.O, Jenkins, S, Bullion, A.M, Johnson, J, Redman, A, Robbins, A.H, Esler, W, Fracasso, R.P, Garrison, T, Hamilton, M, Michels, M, Wood, J.E, Wilkie, D.P, Xiao, H, Levy, J, Liu, N, Stasik, E, Brands, M, Lefranc, J. | | Deposit date: | 2016-04-11 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Discovery and Sar of Novel 2,3-Dihydroimidazo(1,2-C)Quinazoline Pi3K Inhibitors: Identification of Copanlisib (Bay 80-6946)
Chemmedchem, 11, 2016
|
|
5A3Z
 | | Structure of monoclinic Lysozyme obtained by multi crystal data collection | | Descriptor: | GLYCEROL, LYSOZYME, NITRATE ION | | Authors: | Zander, U, Bourenkov, G, Popov, A.N, de Sanctis, D, McCarthy, A.A, Svensson, O, Round, E.S, Gordeliy, V.I, Mueller-Dieckmann, C, Leonard, G.A. | | Deposit date: | 2015-06-04 | | Release date: | 2015-11-11 | | Last modified: | 2015-11-25 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Meshandcollect: An Automated Multi-Crystal Data-Collection Workflow for Synchrotron Macromolecular Crystallography Beamlines.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
6IOL
 | | Cryo-EM structure of multidrug efflux pump MexAB-OprM (60 degree state) | | Descriptor: | Multidrug resistance protein MexA, Multidrug resistance protein MexB, Outer membrane protein OprM | | Authors: | Tsutsumi, K, Yonehara, R, Nakagawa, A, Yamashita, E. | | Deposit date: | 2018-10-30 | | Release date: | 2019-04-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.76 Å) | | Cite: | Structures of the wild-type MexAB-OprM tripartite pump reveal its complex formation and drug efflux mechanism.
Nat Commun, 10, 2019
|
|
2ANO
 | | Crystal structure of E.coli dihydrofolate reductase in complex with NADPH and the inhibitor MS-SH08-17 | | Descriptor: | 1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-3-TRIFLUOROMETHYL-BENZENE, Dihydrofolate reductase, MANGANESE (II) ION, ... | | Authors: | Summerfield, R.L, Daigle, D.M, Mayer, S, Jackson, S.G, Organ, M, Hughes, D.W, Brown, E.D, Junop, M.S. | | Deposit date: | 2005-08-11 | | Release date: | 2006-07-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | A 2.13 A Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region
J.Med.Chem., 49, 2006
|
|
1T3W
 | | Crystal Structure of the E.coli DnaG C-terminal domain (residues 434 to 581) | | Descriptor: | ACETIC ACID, DNA primase | | Authors: | Oakley, A.J, Loscha, K.V, Schaeffer, P.M, Liepinsh, E, Wilce, M.C.J, Otting, G, Dixon, N.E. | | Deposit date: | 2004-04-28 | | Release date: | 2004-11-02 | | Last modified: | 2016-09-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal and solution structures of the helicase-binding domain of Escherichia coli primase
J.Biol.Chem., 280, 2005
|
|
2AMV
 | | THE STRUCTURE OF GLYCOGEN PHOSPHORYLASE B WITH AN ALKYL-DIHYDROPYRIDINE-DICARBOXYLIC ACID | | Descriptor: | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-ETHYL-5-ISOPROPOXYCARBONYL-6-METHYL-PYRIDINIUM, GLYCEROL, PROTEIN (GLYCOGEN PHOSPHORYLASE), ... | | Authors: | Zographos, S.E, Oikonomakos, N.G, Johnson, L.N. | | Deposit date: | 1998-10-13 | | Release date: | 1998-10-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of glycogen phosphorylase b with an alkyldihydropyridine-dicarboxylic acid compound, a novel and potent inhibitor.
Structure, 5, 1997
|
|
6D3H
 | | FT_T dioxygenase with bound dichlorprop | | Descriptor: | (2R)-2-(2,4-dichlorophenoxy)propanoic acid, 2-OXOGLUTARIC ACID, CHLORIDE ION, ... | | Authors: | Rydel, T.J, Halls, C.E. | | Deposit date: | 2018-04-16 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
|
|
6D0O
 | | rdpA dioxygenase holoenzyme | | Descriptor: | (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, COBALT (II) ION | | Authors: | Rydel, T.J, Sturman, E.J, Zheng, M, Evdokimov, A. | | Deposit date: | 2018-04-10 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
|
|
1ZP5
 | | Crystal structure of the complex between MMP-8 and a N-hydroxyurea inhibitor | | Descriptor: | CALCIUM ION, N-{2-[(4'-CYANO-1,1'-BIPHENYL-4-YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA, Neutrophil collagenase, ... | | Authors: | Campestre, C, Agamennone, M, Tortorella, P, Preziuso, S, Biasone, A, Gavuzzo, E, Pochetti, G, Mazza, F, Tschesche, H, Gallina, C. | | Deposit date: | 2005-05-16 | | Release date: | 2005-12-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | N-Hydroxyurea as zinc binding group in matrix metalloproteinase inhibition: Mode of binding in a complex with MMP-8.
Bioorg.Med.Chem.Lett., 16, 2006
|
|
5I0X
 | |
