4NX1
 
 | | Crystal structure of a trap periplasmic solute binding protein from Sulfitobacter sp. nas-14.1, target EFI-510292, with bound alpha-D-taluronate | | Descriptor: | C4-dicarboxylate transport system substrate-binding protein, alpha-D-talopyranuronic acid | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-12-08 | | Release date: | 2014-01-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
|
|
4O11
 | | Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-hydroxyuridine 5'-monophosphate | | Descriptor: | 1,2-ETHANEDIOL, 6-HYDROXYURIDINE-5'-PHOSPHATE, CHLORIDE ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2013-12-14 | | Release date: | 2014-01-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-hydroxyuridine 5'-monophosphate
To be Published
|
|
4O4K
 | | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities | | Descriptor: | (5~{E})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one, Exonuclease, putative, ... | | Authors: | Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A. | | Deposit date: | 2013-12-18 | | Release date: | 2014-01-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
|
|
4NZB
 | | NS9283 bound to Ls-AChBP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile, ACETATE ION, ... | | Authors: | Olsen, J.A, Kastrup, J.S, Gajhede, M. | | Deposit date: | 2013-12-11 | | Release date: | 2014-07-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structural and functional studies of the modulator NS9283 reveal agonist-like mechanism of action at alpha 4 beta 2 nicotinic acetylcholine receptors.
J.Biol.Chem., 289, 2014
|
|
4O43
 | | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities | | Descriptor: | (5~{E})-3-[(2~{R})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ... | | Authors: | Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A. | | Deposit date: | 2013-12-18 | | Release date: | 2014-01-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
|
|
4O0P
 | |
4O5G
 | | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities | | Descriptor: | (5~{E})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ... | | Authors: | Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A. | | Deposit date: | 2013-12-19 | | Release date: | 2014-01-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
|
|
4O94
 | | Crystal structure of a trap periplasmic solute binding protein from Rhodopseudomonas palustris HaA2 (RPB_3329), Target EFI-510223, with bound succinate | | Descriptor: | CHLORIDE ION, SUCCINIC ACID, TRAP dicarboxylate transporter DctP subunit | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-01-01 | | Release date: | 2014-01-22 | | Last modified: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
|
|
4OVP
 | | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFITOBACTER sp. NAS-14.1, TARGET EFI-510292, WITH BOUND ALPHA-D-MANURONATE | | Descriptor: | C4-dicarboxylate transport system substrate-binding protein, alpha-D-mannopyranuronic acid | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-12-11 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
|
|
4OVQ
 | | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM ROSEOBACTER DENITRIFICANS, TARGET EFI-510230, WITH BOUND BETA-D-GLUCURONATE | | Descriptor: | CHLORIDE ION, TRAP dicarboxylate ABC transporter, substrate-binding protein, ... | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-12-11 | | Release date: | 2014-01-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
|
|
4O8M
 | | Crystal structure of a trap periplasmic solute binding protein actinobacillus succinogenes 130z, target EFI-510004, with bound L-galactonate | | Descriptor: | CHLORIDE ION, L-galactonic acid, SULFATE ION, ... | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-12-28 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
|
|
4O7M
 | | Crystal structure of a trap periplasmic solute binding protein from shewanella loihica PV-4, target EFI-510273, with bound L-malate | | Descriptor: | (2S)-2-hydroxybutanedioic acid, SULFATE ION, TRAP dicarboxylate transporter, ... | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-12-25 | | Release date: | 2014-03-05 | | Last modified: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
|
|
7LWD
 | | Cryo-EM structure of the wild-type human serotonin transporter complexed with vilazodone, imipramine and 15B8 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide, ... | | Authors: | Yang, D, Kalenderoglou, I.E, Gouaux, E, Coleman, J.A, Loland, C.J. | | Deposit date: | 2021-03-01 | | Release date: | 2021-08-11 | | Last modified: | 2021-09-01 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | The antidepressant drug vilazodone is an allosteric inhibitor of the serotonin transporter.
Nat Commun, 12, 2021
|
|
6CJF
 | | Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43 | | Descriptor: | 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2018-02-26 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
J. Med. Chem., 61, 2018
|
|
7LVP
 | | Cryptococcus neoformans AIR synthetase | | Descriptor: | 1,2-ETHANEDIOL, AIR synthase, GLYCINE, ... | | Authors: | Chua, S.M.H, Luo, Z, Lim, B.Y.J, Kobe, B, Fraser, J.A. | | Deposit date: | 2021-02-26 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural features of Cryptococcus neoformans bifunctional GAR/AIR synthetase may present novel antifungal drug targets.
J.Biol.Chem., 297, 2021
|
|
7LVO
 | | Cryptococcus neoformans GAR synthetase | | Descriptor: | 1,2-ETHANEDIOL, phosphoribosyl-glycinamide (GAR) synthetase | | Authors: | Chua, S.M.H, Luo, Z, Lim, B.Y.J, Kobe, B, Fraser, J.A. | | Deposit date: | 2021-02-26 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural features of Cryptococcus neoformans bifunctional GAR/AIR synthetase may present novel antifungal drug targets.
J.Biol.Chem., 297, 2021
|
|
6D2V
 | | Apo Structure of TerB, an NADP Dependent Oxidoreductase in the Terfestatin Biosynthesis Pathway | | Descriptor: | CHLORIDE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, THIOCYANATE ION, ... | | Authors: | Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N. | | Deposit date: | 2018-04-14 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC
To Be Published
|
|
6D34
 | | Apo Crystal Structure of TerC, a Terfestatin Biosynthesis Enzyme | | Descriptor: | ISOPROPYL ALCOHOL, TerC | | Authors: | Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N. | | Deposit date: | 2018-04-14 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC
To Be Published
|
|
7M16
 | | Triazole-based BET family bromodomain inhibitor bound to BRD4(D1) | | Descriptor: | 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide, Bromodomain-containing protein 4 | | Authors: | Johnson, J.A, Pomerantz, W. | | Deposit date: | 2021-03-12 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Systematically Mitigating the p38alpha Activity of Triazole-based BET Inhibitors
ACS Med. Chem. Lett., 10, 2019
|
|
6D9G
 | |
7LPY
 | |
6DB9
 | | Structural basis for promiscuous binding and activation of fluorogenic dyes by DIR2s RNA aptamer | | Descriptor: | Fab-Heavy-Chain, Fab-Light-Chain, MAGNESIUM ION, ... | | Authors: | Shao, Y, Shelke, S.A, Laski, A, Piccirilli, J.A. | | Deposit date: | 2018-05-02 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.025 Å) | | Cite: | Structural basis for activation of fluorogenic dyes by an RNA aptamer lacking a G-quadruplex motif.
Nat Commun, 9, 2018
|
|
7LPZ
 | |
7LQ0
 | |
6DB8
 | | Structural basis for promiscuous binding and activation of fluorogenic dyes by DIR2s RNA aptamer | | Descriptor: | 2-[(Z)-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium, Fab-Heavy chain, Fab-Light chain, ... | | Authors: | Shao, Y, Shelke, S.A, Laski, A, Piccirilli, J.A. | | Deposit date: | 2018-05-02 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.86541343 Å) | | Cite: | Structural basis for activation of fluorogenic dyes by an RNA aptamer lacking a G-quadruplex motif.
Nat Commun, 9, 2018
|
|
