1VRS
 
 | | Crystal structure of the disulfide-linked complex between the N-terminal and C-terminal domain of the electron transfer catalyst DsbD | | Descriptor: | Thiol:disulfide interchange protein dsbD | | Authors: | Rozhkova, A, Stirnimann, C.U, Frei, P, Grauschopf, U, Brunisholz, R, Gruetter, M.G, Capitani, G, Glockshuber, R. | | Deposit date: | 2005-06-17 | | Release date: | 2005-07-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural basis and kinetics of inter- and intramolecular disulfide exchange in the redox catalyst DsbD
Embo J., 23, 2004
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8AOV
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1VRW
 | | Crystal structure analysis of plasmodium falciparum enoyl-acyl-carrier-protein reductase with nadh | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ENOYL-ACYL CARRIER REDUCTASE | | Authors: | Perozzo, R, Kuo, M, Sidhu, A.S, Valiyaveettil, J.T, Bittman, R, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C. | | Deposit date: | 2005-06-30 | | Release date: | 2005-07-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Elucidation of the Specificity of the Antibacterial Agent Triclosan for
Malarial Enoyl Acyl Carrier Protein Reductase
J.Biol.Chem., 277, 2002
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3GGL
 | | X-Ray Structure of the C-terminal domain (277-440) of Putative chitobiase from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium Target BtR324A. | | Descriptor: | DI(HYDROXYETHYL)ETHER, Putative chitobiase, ZINC ION | | Authors: | Kuzin, A, Neely, H, Seetharaman, R, Lee, D, Ciccosanti, C, Foote, E.L, Janjua, H, Xiao, R, Nair, R, Rost, B, Acton, T, Everett, J.K, Montelione, G.T, Tong, L, Hunt, J, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-02-28 | | Release date: | 2009-03-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Northeast Structural Genomics Consortium Target BtR324A
To be Published
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8APU
 | | Crystal Structure of H. influenzae TrmD in complex with Compound 14 | | Descriptor: | 6-[[4-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide, CITRIC ACID, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Hall, G, Cowan, R, Carr, M.D. | | Deposit date: | 2022-08-10 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors.
Bioorg.Med.Chem.Lett., 90, 2023
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4JKU
 | | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with quinaldic acid, NYSGRC Target 14306 | | Descriptor: | ADENOSINE, DIMETHYL SULFOXIDE, Probable sugar kinase protein, ... | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-03-11 | | Release date: | 2013-03-27 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with quinaldic acid, NYSGRC Target 14306
To be Published
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8APT
 | | Crystal Structure of H. influenzae TrmD in complex with Compound 13 | | Descriptor: | 6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide, CITRIC ACID, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Hall, G, Cowan, R, Carr, M.D. | | Deposit date: | 2022-08-10 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors.
Bioorg.Med.Chem.Lett., 90, 2023
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8APV
 | | Crystal Structure of H. influenzae TrmD in complex with Compound 27 | | Descriptor: | 1-[[4-(aminomethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-5-carboxamide, CITRIC ACID, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Hall, G, Cowan, R, Carr, M.D. | | Deposit date: | 2022-08-10 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors.
Bioorg.Med.Chem.Lett., 90, 2023
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8APW
 | | Crystal Structure of H. influenzae TrmD in complex with Compound 30 | | Descriptor: | 1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide, CITRIC ACID, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Hall, G, Cowan, R, Carr, M.D. | | Deposit date: | 2022-08-10 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors.
Bioorg.Med.Chem.Lett., 90, 2023
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8AIN
 | | MCUGI SAUNG complex | | Descriptor: | 1,2-ETHANEDIOL, MCUGI, SULFATE ION, ... | | Authors: | Muselmani, W, Savva, R. | | Deposit date: | 2022-07-26 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase.
Viruses, 15, 2023
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8AIM
 | | Ugi-2 SAUNG complex | | Descriptor: | Uracil-DNA glycosylase, Uracil-DNA glycosylase inhibitor | | Authors: | Muselmani, W, Savva, R. | | Deposit date: | 2022-07-26 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase.
Viruses, 15, 2023
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8AIL
 | | Bacillus phage VMY22 p56 in complex with Bacillus weidmannii Ung | | Descriptor: | Bacillus phage VMY22 p56, GLYCEROL, IODIDE ION, ... | | Authors: | Muselmani, W, Bagneris, C, Savva, R. | | Deposit date: | 2022-07-26 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase.
Viruses, 15, 2023
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6GJ1
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8HUK
 | | X-ray structure of human PPAR alpha ligand binding domain-lanifibranor-SRC1 coactivator peptide co-crystals obtained by soaking | | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Peroxisome proliferator-activated receptor alpha | | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Honda, A, Oyama, T, Ishii, I. | | Deposit date: | 2022-12-24 | | Release date: | 2023-08-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.981 Å) | | Cite: | Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor.
Antioxidants, 12, 2023
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8HUQ
 | | X-ray structure of human PPAR alpha ligand binding domain-elafibranor-SRC1 coactivator peptide co-crystals obtained by soaking | | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, 2-[2,6-dimethyl-4-[(~{E})-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoic acid, GLYCEROL, ... | | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Honda, A, Oyama, T, Ishii, I. | | Deposit date: | 2022-12-24 | | Release date: | 2023-08-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor.
Antioxidants, 12, 2023
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4JKS
 | | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with DMSO, NYSGRC Target 14306 | | Descriptor: | ADENOSINE, DIMETHYL SULFOXIDE, Probable sugar kinase protein | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-03-11 | | Release date: | 2013-03-27 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with DMSO, NYSGRC Target 14306
To be Published
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8IC7
 | | exo-beta-D-arabinofuranosidase ExoMA2 from Microbacterium arabinogalactanolyticum in complex with beta-D-arabinofuranose | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Fukushima, R, Kashima, T, Ishiwata, A, Fujita, K, Fushinobu, S. | | Deposit date: | 2023-02-11 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
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8IC6
 | | exo-beta-D-arabinanase ExoMA2 from Microbacterium arabinogalactanolyticum in complex with Tris | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Fukushima, R, Kashima, T, Ishiwata, A, Fujita, K, Fushinobu, S. | | Deposit date: | 2023-02-10 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
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4MBL
 | | Discovery of Pyrazolo[1,5a]pyrimidine-based Pim1 Inhibitors | | Descriptor: | (1R,2R)-N-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine, Serine/threonine-protein kinase pim-1 | | Authors: | Azevedo, R, Fischmann, T.O. | | Deposit date: | 2013-08-19 | | Release date: | 2013-09-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of pyrazolo[1,5-a]pyrimidine-based Pim inhibitors: A template-based approach.
Bioorg.Med.Chem.Lett., 23, 2013
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1W3Z
 | | SeMet derivative of BbCRASP-1 from Borrelia Burgdorferi | | Descriptor: | BBCRASP-1 | | Authors: | Cordes, F.S, Roversi, P, Goodstadt, L, Ponting, C, Kraiczy, P, Skerka, C, Kirschfink, M, Simon, M.M, Brade, V, Zipfel, P, Wallich, R, Lea, S.M. | | Deposit date: | 2004-07-21 | | Release date: | 2005-02-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | A Novel Fold for the Factor H-Binding Protein Bbcrasp-1 of Borrelia Burgdorferi
Nat.Struct.Mol.Biol., 12, 2005
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8I98
 | | Crystal structure of TePixD Y8F | | Descriptor: | FLAVIN MONONUCLEOTIDE, Tll0078 protein | | Authors: | Hu, R, Lin, L, Lu, Q. | | Deposit date: | 2023-02-06 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Structure of the BLUF Protein TePixD Y8F Mutant
Progress in Biochemistry and Biophysics, 2023
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8AXH
 | | Crystal structure of a MUC1-like glycopeptide containing the unnatural L-4-hydroxynorvaline in complex with scFv-SM3 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, Mucin-1 subunit alpha, ... | | Authors: | Bermejo, I, Corzana, F, Hurtado-Guerrero, R. | | Deposit date: | 2022-08-31 | | Release date: | 2023-08-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Guided Approach for the Development of MUC1-Glycopeptide-Based Cancer Vaccines with Predictable Responses.
Jacs Au, 4, 2024
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8ILQ
 | | Structure of SFTSV Gn-Gc heterodimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein | | Authors: | Du, S, Peng, R, Qi, J, Li, C. | | Deposit date: | 2023-03-04 | | Release date: | 2023-09-13 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Cryo-EM structure of severe fever with thrombocytopenia syndrome virus.
Nat Commun, 14, 2023
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8I4T
 | | Structure of the asymmetric unit of SFTSV virion | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein | | Authors: | Du, S, Peng, R, Qi, J, Li, C. | | Deposit date: | 2023-01-21 | | Release date: | 2023-09-13 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (5.2 Å) | | Cite: | Cryo-EM structure of severe fever with thrombocytopenia syndrome virus.
Nat Commun, 14, 2023
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6HRW
 | | EthR2 in complex with compound 1 (BDM14272) | | Descriptor: | (1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one, Probable transcriptional regulatory protein | | Authors: | Wintjens, R, Wohlkonig, A, Tanina, A. | | Deposit date: | 2018-09-28 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
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