6HQN
 
 | | Crystal structure of GcoA F169L bound to guaiacol | | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2018-09-25 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
2VJX
 | | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | | Descriptor: | (3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | | Authors: | Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2007-12-14 | | Release date: | 2008-04-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
|
|
7Q1M
 | | Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | | Deposit date: | 2021-10-20 | | Release date: | 2022-11-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
|
|
6HQW
 | |
7PR6
 | | Crystal structure of E. coli beta-glucuronidase in complex with covalent inhibitor ME727 | | Descriptor: | (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase | | Authors: | Wu, L, Armstrong, Z, Davies, G.J. | | Deposit date: | 2021-09-20 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
2GEW
 | |
6GCM
 | | Escherichia coli DPS | | Descriptor: | DNA protection during starvation protein | | Authors: | Kovalenko, V.V, Loiko, N.G, Tereshkin, E.V, Tereshkina, K.B, Chulichkov, A.L, Popov, A.N, Krupyanskii, Y.F. | | Deposit date: | 2018-04-18 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Escherichia coli DPS
To Be Published
|
|
6BL0
 | | Novel Modes of Inhibition of Wild-Type IDH1:Direct Covalent Modification of His315 with Cmpd11 | | Descriptor: | (5aS,6S,8S,9aS)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[g]indazole-8-carbonitrile, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2017-11-09 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
|
|
6HRD
 | |
4RGB
 | |
4R4Z
 | | Structure of PNGF-II in P21 space group | | Descriptor: | PNGF-II | | Authors: | Sun, G, Yu, X, Celimuge, Wang, L, Li, M, Gan, J, Qu, D, Ma, J, Chen, L. | | Deposit date: | 2014-08-20 | | Release date: | 2015-01-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Identification and
Characterization of a Novel Prokaryotic Peptide: N-glycosidase from
Elizabethkingia meningoseptica
J.Biol.Chem., 2015
|
|
2GH2
 | |
6BHK
 | | Phosphotriesterase variant R18deltaL7 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase, ZINC ION | | Authors: | Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N. | | Deposit date: | 2017-10-30 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Phosphotriesterase variant R18deltaL7
To Be Published
|
|
4R69
 | | Lactate Dehydrogenase in complex with inhibitor compound 13 | | Descriptor: | (5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2014-08-22 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 25, 2014
|
|
6BII
 | | Crystal Structure of Pyrococcus yayanosii Glyoxylate Hydroxypyruvate Reductase in complex with NADP and malonate (re-refinement of 5AOW) | | Descriptor: | GLYCEROL, Glyoxylate reductase, MALONATE ION, ... | | Authors: | Lassalle, L, Shabalin, I.G, Girard, E, Minor, W. | | Deposit date: | 2017-11-02 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | New insights into the mechanism of substrates trafficking in Glyoxylate/Hydroxypyruvate reductases.
Sci Rep, 6, 2016
|
|
7PLS
 | | Cryo-EM structures of human fucosidase FucA1 reveal insight into substate recognition and catalysis. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tissue alpha-L-fucosidase | | Authors: | Armstrong, Z, Meek, R.W, Wu, L, Blaza, J.N, Davies, G.J. | | Deposit date: | 2021-09-01 | | Release date: | 2022-08-10 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (2.49 Å) | | Cite: | Cryo-EM structures of human fucosidase FucA1 reveal insight into substrate recognition and catalysis.
Structure, 30, 2022
|
|
6FWO
 | | Structure of an E336Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-1,2-anhydro-mannose hydrolyzed by enzyme | | Descriptor: | (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Glycosyl hydrolase family 71, ... | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
|
|
6INM
 | | Crystal structure of PDE4D complexed with a novel inhibitor | | Descriptor: | (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | | Deposit date: | 2018-10-26 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
|
|
4K5S
 | | The crystal structure of premithramycin B in complex with MTMOIV, a baeyer-villiger monooxygenase from the mithramycin biosynthetic pathway in streptomyces argillaceus. | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Oxygenase, premithramycin B | | Authors: | Noinaj, N, Bosserman, M.A, Rohr, J, Buchanan, S.K. | | Deposit date: | 2013-04-15 | | Release date: | 2013-10-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular Insight into Substrate Recognition and Catalysis of Baeyer-Villiger Monooxygenase MtmOIV, the Key Frame-Modifying Enzyme in the Biosynthesis of Anticancer Agent Mithramycin.
Acs Chem.Biol., 8, 2013
|
|
3CLI
 | | Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) at 1.80 A Resolution | | Descriptor: | Allene Oxide Synthase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lee, D.-S, Nioche, P, Raman, C.S. | | Deposit date: | 2008-03-19 | | Release date: | 2008-08-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes
Nature, 455, 2008
|
|
2VC7
 | | Structural basis for natural lactonase and promiscuous phosphotriesterase activities | | Descriptor: | (4S)-4-(decanoylamino)-5-hydroxy-3,4-dihydro-2H-thiophenium, 1,2-ETHANEDIOL, ARYLDIALKYLPHOSPHATASE, ... | | Authors: | Elias, M, Dupuy, J, Merone, L, Mandrich, L, Moniot, S, Rochu, D, Lecomte, C, Rossi, M, Masson, P, Manco, G, Chabriere, E. | | Deposit date: | 2007-09-19 | | Release date: | 2008-04-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Basis for Natural Lactonase and Promiscuous Phosphotriesterase Activities.
J.Mol.Biol., 379, 2008
|
|
7Q1N
 | | Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | | Deposit date: | 2021-10-20 | | Release date: | 2022-11-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
|
|
2G9P
 | | NMR structure of a novel antimicrobial peptide, latarcin 2a, from spider (Lachesana tarabaevi) venom | | Descriptor: | antimicrobial peptide Latarcin 2a | | Authors: | Dubovskii, P.V, Volynsky, P.E, Polyansky, A.A, Chupin, V.V, Efremov, R.G, Arseniev, A.S. | | Deposit date: | 2006-03-07 | | Release date: | 2006-09-12 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Spatial structure and activity mechanism of a novel spider antimicrobial peptide.
Biochemistry, 45, 2006
|
|
6FYJ
 | | Cytochrome P450 peroxygenase CYP152K6 in complex with Myristic Acid | | Descriptor: | DI(HYDROXYETHYL)ETHER, Fatty-acid peroxygenase, MYRISTIC ACID, ... | | Authors: | Girvan, H.M, Poddar, H, Mclean, K.J, Leys, D, Munro, A.W. | | Deposit date: | 2018-03-12 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural and catalytic properties of the peroxygenase P450 enzyme CYP152K6 from Bacillus methanolicus.
J. Inorg. Biochem., 188, 2018
|
|
2GA3
 | |
