6CUZ
 
 | | Engineered TrpB from Pyrococcus furiosus, PfTrpB7E6 with (2S,3R)-ethylserine bound as the amino-acrylate | | Descriptor: | (2E)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid, PHOSPHATE ION, SODIUM ION, ... | | Authors: | Scheele, R.A, Buller, A.R, Boville, C.E, Arnold, F.H. | | Deposit date: | 2018-03-27 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
5CC9
 | |
7BAQ
 | |
4GX9
 | | Crystal structure of a DNA polymerase III alpha-epsilon chimera | | Descriptor: | DNA polymerase III subunit epsilon,DNA polymerase III subunit alpha | | Authors: | Li, N, Horan, N, Xu, Z.-Q, Jacques, D, Dixon, N.E, Oakley, A.J. | | Deposit date: | 2012-09-04 | | Release date: | 2013-04-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Proofreading exonuclease on a tether: the complex between the E. coli DNA polymerase III subunits alpha, {varepsilon}, theta and beta reveals a highly flexible arrangement of the proofreading domain
Nucleic Acids Res., 41, 2013
|
|
1GOS
 | | Human Monoamine Oxidase B | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MONOAMINE OXIDASE, N-[(E)-METHYL](PHENYL)-N-[(E)-2-PROPENYLIDENE]METHANAMINIUM | | Authors: | Binda, C, Newton-Vinson, P, Hubalek, F, Edmondson, D.E, Mattevi, A. | | Deposit date: | 2001-10-26 | | Release date: | 2001-11-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of Human Monoamine Oxidase B, a Drug Target for the Treatment of Neurological Disorders
Nat.Struct.Biol., 9, 2001
|
|
1OOQ
 | | Nitroreductase from e-coli in complex with the inhibitor dicoumarol | | Descriptor: | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | | Authors: | Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. | | Deposit date: | 2003-03-04 | | Release date: | 2003-04-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form
J.Med.Chem., 46, 2003
|
|
1TOK
 | | Maleic acid-bound structure of SRHEPT mutant of E. coli aspartate aminotransferase | | Descriptor: | Aspartate aminotransferase, MALEIC ACID | | Authors: | Chow, M.A, McElroy, K.E, Corbett, K.D, Berger, J.M, Kirsch, J.F. | | Deposit date: | 2004-06-14 | | Release date: | 2004-10-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Narrowing substrate specificity in a directly evolved enzyme: the A293D mutant of aspartate aminotransferase
Biochemistry, 43, 2004
|
|
5VPT
 | | 2009 H1N1 PA Endonuclease in complex with RO-7 | | Descriptor: | 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MANGANESE (II) ION, Polymerase acidic protein, ... | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2017-05-05 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018
|
|
3ZH5
 | | The structure of Haemophilus influenzae protein E | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, PROTEIN E | | Authors: | Singh, B, Al-Jubair, T, Riesbeck, K, Thunnissen, M.M.G.M. | | Deposit date: | 2012-12-20 | | Release date: | 2013-03-20 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | The Unique Structure of Haemophilus Influenzae Protein E Reveals Multiple Binding Sites for Host Factors.
Infect.Immun., 81, 2013
|
|
6CUT
 | | Engineered Holo TrpB from Pyrococcus furiosus, PfTrpB7E6 with (2S,3S)-isopropylserine bound as the external aldimine | | Descriptor: | (2S,3S)-3-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic acid (non-preferred name), SODIUM ION, Tryptophan synthase beta chain 1 | | Authors: | Boville, C.E, Scheele, R.A, Buller, A.R, Arnold, F.H. | | Deposit date: | 2018-03-26 | | Release date: | 2018-09-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
7CX2
 | | Cryo-EM structure of the PGE2-bound EP2-Gs complex | | Descriptor: | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Qu, C, Mao, C, Xiao, P, Shen, Q, Zhong, Y, Yang, F, Shen, D, Tao, X, Zhang, H, Yan, X, Zhao, R, He, J, Guan, Y, Zhang, C, Hou, G, Zhang, P, Yu, X, Guan, Y, Sun, J, Zhang, Y. | | Deposit date: | 2020-09-01 | | Release date: | 2021-05-05 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Ligand recognition, unconventional activation, and G protein coupling of the prostaglandin E 2 receptor EP2 subtype.
Sci Adv, 7, 2021
|
|
4PLJ
 | |
6D0V
 | | Tryptophan synthase Q114A mutant in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination site | | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Tryptophan synthase Q114A mutant in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination site.
To be Published
|
|
2V43
 | |
1T3A
 | | Crystal structure of Clostridium botulinum neurotoxin type E catalytic domain | | Descriptor: | CHLORIDE ION, ZINC ION, neurotoxin type E | | Authors: | Agarwal, R, Eswaramoorthy, S, Kumaran, D, Binz, T, Swaminathan, S. | | Deposit date: | 2004-04-26 | | Release date: | 2004-06-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structural analysis of botulinum neurotoxin type E catalytic domain and its mutant Glu212-->Gln reveals the pivotal role of the Glu212 carboxylate in the catalytic pathway
Biochemistry, 43, 2004
|
|
1SS3
 | | Solution structure of Ole e 6, an allergen from olive tree pollen | | Descriptor: | Pollen allergen Ole e 6 | | Authors: | Trevino, M.A, Garcia-Mayoral, M.F, Barral, P, Villalba, M, Santoro, J, Rico, M, Rodriguez, R, Bruix, M. | | Deposit date: | 2004-03-23 | | Release date: | 2004-08-03 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | NMR Solution Structure of Ole e 6, a Major Allergen from Olive Tree Pollen.
J.Biol.Chem., 279, 2004
|
|
4K2M
 | | Crystal structure of ntda from bacillus subtilis in complex with the plp external aldimine adduct with kanosamine-6-phosphate | | Descriptor: | 1,2-ETHANEDIOL, 3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco pyranose, ACETATE ION, ... | | Authors: | Van Straaten, K.E, Palmer, D.R.J, Sanders, D.A.R. | | Deposit date: | 2013-04-09 | | Release date: | 2013-10-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | The Structure of NtdA, a Sugar Aminotransferase Involved in the Kanosamine Biosynthetic Pathway in Bacillus subtilis, Reveals a New Subclass of Aminotransferases.
J.Biol.Chem., 288, 2013
|
|
1NC1
 | | Crystal structure of E. coli MTA/AdoHcy nucleosidase complexed with 5'-methylthiotubercidin (MTH) | | Descriptor: | 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, MTA/SAH nucleosidase | | Authors: | Lee, J.E, Cornell, K.A, Riscoe, M.K, Howell, P.L. | | Deposit date: | 2002-12-04 | | Release date: | 2003-11-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Escherichia coli 5'-methylthioadenosine/ S-adenosylhomocysteine nucleosidase inhibitor complexes provide insight into the conformational changes required for substrate binding and catalysis.
J.Biol.Chem., 278, 2003
|
|
3QGN
 | | The allosteric E*-E equilibrium is a key property of the trypsin fold | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, IODIDE ION, ... | | Authors: | Niu, W, Gohara, D, Chen, Z, Di Cera, E. | | Deposit date: | 2011-01-24 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystallographic and kinetic evidence of allostery in a trypsin-like protease.
Biochemistry, 50, 2011
|
|
4HJU
 | |
1PCL
 | |
7KA1
 | | 1.60 Angstrom resolution crystal structure of the beta-Q114A mutant Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination site | | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | | Deposit date: | 2020-09-29 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 1.60 Angstrom resolution crystal structure of the beta-Q114A mutant Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination site.
To be Published
|
|
3CII
 | | Structure of NKG2A/CD94 bound to HLA-E | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen peptide, HLA class I histocompatibility antigen, ... | | Authors: | Strong, R.K, Kaiser, B.K, Pizarro, J.C. | | Deposit date: | 2008-03-11 | | Release date: | 2008-05-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (4.41 Å) | | Cite: | Structural basis for NKG2A/CD94 recognition of HLA-E.
Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
1NC3
 | | Crystal structure of E. coli MTA/AdoHcy nucleosidase complexed with formycin A (FMA) | | Descriptor: | (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, MTA/SAH nucleosidase | | Authors: | Lee, J.E, Cornell, K.A, Riscoe, M.K, Howell, P.L. | | Deposit date: | 2002-12-04 | | Release date: | 2003-03-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Escherichia coli 5'-methylthioadenosine/ S-adenosylhomocysteine nucleosidase inhibitor complexes provide insight into the conformational changes required for substrate binding and catalysis.
J.Biol.Chem., 278, 2003
|
|
4IG3
 | | HIV-1 reverse transcriptase with bound fragment near Knuckles site | | Descriptor: | (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | | Authors: | Bauman, J.D, Patel, D, Arnold, E. | | Deposit date: | 2012-12-15 | | Release date: | 2013-02-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
|
|
