7O71
 
 | | Cryo-EM structure of a respiratory complex I | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Acyl carrier protein ACPM1 of NADH:Ubiquinone Oxidoreductase (Complex I), ... | | Authors: | Parey, K, Vonck, J. | | Deposit date: | 2021-04-12 | | Release date: | 2021-11-10 | | Last modified: | 2021-12-01 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | High-resolution structure and dynamics of mitochondrial complex I-Insights into the proton pumping mechanism.
Sci Adv, 7, 2021
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7O6Y
 | | Cryo-EM structure of respiratory complex I under turnover | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Parey, K, Vonck, J. | | Deposit date: | 2021-04-12 | | Release date: | 2021-11-10 | | Last modified: | 2021-12-01 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | High-resolution structure and dynamics of mitochondrial complex I-Insights into the proton pumping mechanism.
Sci Adv, 7, 2021
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7Q7W
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5U2M
 | | Crystal structure of human NAMPT with A-1293201 | | Descriptor: | N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION | | Authors: | Longenecker, K.L, Raich, D, Korepanova, A.V. | | Deposit date: | 2016-11-30 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
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8QZH
 | | Crystal structure of apo-PptT from Mycobacterium tuberculosis | | Descriptor: | 4'-phosphopantetheinyl transferase PptT, ACETATE ION, MAGNESIUM ION | | Authors: | Gavalda, S, Carivenc, C, Mourey, L, Pedelacq, J.D. | | Deposit date: | 2023-10-27 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Catalytic Cycle of Type II 4'-Phosphopantetheinyl Transferases
Acs Catalysis, 14, 2024
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5GTW
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8AHQ
 | | VirD/holo-ACP5b of Streptomyces virginiae complex | | Descriptor: | 1,2-ETHANEDIOL, 4'-PHOSPHOPANTETHEINE, CHLORIDE ION, ... | | Authors: | Collin, S, Gruez, A. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Decrypting the programming of beta-methylation in virginiamycin M biosynthesis.
Nat Commun, 14, 2023
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5BWD
 | | Benzylsuccinate alpha-gamma bound to fumarate | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FUMARIC ACID, TETRAETHYLENE GLYCOL, ... | | Authors: | Funk, M.A, Drennan, C.L. | | Deposit date: | 2015-06-07 | | Release date: | 2015-08-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Substrate-bound Structures of Benzylsuccinate Synthase Reveal How Toluene Is Activated in Anaerobic Hydrocarbon Degradation.
J.Biol.Chem., 290, 2015
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4R9P
 | | An Expansion to the Smad MH2-family: The structure of the N-MH2 expanded domain | | Descriptor: | RE28239p | | Authors: | Beich-Frandsen, M, Aragon, E, Llimargas, M, Benach, J, Riera, A, Macias, M.J. | | Deposit date: | 2014-09-06 | | Release date: | 2015-04-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.592 Å) | | Cite: | Structure of the N-terminal domain of the protein Expansion: an 'Expansion' to the Smad MH2
Acta Crystallogr.,Sect.D, 71, 2015
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6MTN
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5CG0
 | | Crystal structure of Spodoptera frugiperda Beta-glycosidase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Tamaki, F.K, Souza, D.P, Souza, V.P, Farah, S.C, Marana, S.R. | | Deposit date: | 2015-07-08 | | Release date: | 2015-12-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Using the Amino Acid Network to Modulate the Hydrolytic Activity of beta-Glycosidases.
PLoS ONE, 11, 2016
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5OKH
 | | Conservatively refined structure of Gan1D-WT, a putative 6-phospho-beta-galactosidase from Geobacillus stearothermophilus, in the C2 spacegroup | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, IMIDAZOLE, ... | | Authors: | Lansky, S, Zehavi, A, Shoham, Y, Shoham, G. | | Deposit date: | 2017-07-25 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus.
FEBS J., 284, 2017
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5FS6
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7QAD
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1,4-Oxazepane hydrochloride | | Descriptor: | 1,4-oxazepane, Cholinephosphate cytidylyltransferase, Guanidinium | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | Deposit date: | 2021-11-16 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
To Be Published
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4RF1
 | | Crystal structure of the Middle-East respiratory syndrome coronavirus papain-like protease in complex with ubiquitin (space group P63) | | Descriptor: | 3-AMINOPROPANE, ORF1ab protein, S-1,2-PROPANEDIOL, ... | | Authors: | Bailey-Elkin, B.A, Johnson, G.G, Mark, B.L. | | Deposit date: | 2014-09-24 | | Release date: | 2014-10-22 | | Last modified: | 2015-01-14 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal Structure of the Middle East Respiratory Syndrome Coronavirus (MERS-CoV) Papain-like Protease Bound to Ubiquitin Facilitates Targeted Disruption of Deubiquitinating Activity to Demonstrate Its Role in Innate Immune Suppression.
J.Biol.Chem., 289, 2014
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5TZ1
 | | Crystal structure of sterol 14-alpha demethylase (CYP51) from Candida albicans in complex with the tetrazole-based antifungal drug candidate VT1161 (VT1) | | Descriptor: | (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase | | Authors: | Hargrove, T, Wawrzak, Z, Lepesheva, G. | | Deposit date: | 2016-11-21 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural analyses of Candida albicans sterol 14 alpha-demethylase complexed with azole drugs address the molecular basis of azole-mediated inhibition of fungal sterol biosynthesis.
J. Biol. Chem., 292, 2017
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5TFR
 | | Crystal structure of Zika Virus NS5 protein | | Descriptor: | Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | | Authors: | Longenecker, K.L, Upadhyay, A.K. | | Deposit date: | 2016-09-26 | | Release date: | 2016-10-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Crystal structure of full-length Zika virus NS5 protein reveals a conformation similar to Japanese encephalitis virus NS5.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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8B8F
 | | Atomic structure of the beta-trefoil domain of the Laccaria bicolor lectin LBL in complex with lactose | | Descriptor: | N-terminal beta-trefoil domain of the lectin LBL from Laccaria bicolor, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Acebron, I, Campanero-Rhodes, M.A, Solis, D, Menendez, M, Garcia, C, Lillo, M.P, Mancheno, J.M. | | Deposit date: | 2022-10-04 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Atomic crystal structure and sugar specificity of a beta-trefoil lectin domain from the ectomycorrhizal basidiomycete Laccaria bicolor.
Int.J.Biol.Macromol., 233, 2023
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5GXX
 | | Crystal structure of endoglucanase CelQ from Clostridium thermocellum complexed with Tris | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | | Deposit date: | 2016-09-21 | | Release date: | 2017-09-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structures of the C-Terminally Truncated Endoglucanase Cel9Q from Clostridium thermocellum Complexed with Cellodextrins and Tris.
Chembiochem, 20, 2019
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5KP8
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7O1Z
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8R5C
 | | Crystal structure of human TRIM7 PRYSPRY domain bound to (2-(1-oxoisoindolin-2-yl)-3-phenylpropanoyl)-L-glutamine | | Descriptor: | (2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]pentanoic acid, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM7, ... | | Authors: | Munoz Sosa, C.J, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-11-16 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of human TRIM7 PRYSPRY domain
To Be Published
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5OKJ
 | | Non-conservatively refined structure of Gan1D-WT, a putative 6-phospho-beta-galactosidase from Geobacillus stearothermophilus, in the C2 spacegroup | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, IMIDAZOLE, ... | | Authors: | Lansky, S, Zehavi, A, Shoham, Y, Shoham, G. | | Deposit date: | 2017-07-25 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus.
FEBS J., 284, 2017
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6NR3
 | | Cryo-EM structure of the TRPM8 ion channel in complex with high occupancy icilin, PI(4,5)P2, and calcium | | Descriptor: | (2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate, CALCIUM ION, Icilin, ... | | Authors: | Yin, Y, Le, S.C, Hsu, A.L, Borgnia, M.J, Yang, H, Lee, S.-Y. | | Deposit date: | 2019-01-22 | | Release date: | 2019-02-20 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis of cooling agent and lipid sensing by the cold-activated TRPM8 channel.
Science, 363, 2019
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5DAV
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