6EPA
 
 | | Structure of dNCS-1 bound to the NCS-1/Ric8a protein/protein interaction regulator IGS-1.76 | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, FI18190p1, ... | | Authors: | Sanchez-Barrena, M.J, Daniel, M, Infantes, L. | | Deposit date: | 2017-10-11 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Deciphering the Inhibition of the Neuronal Calcium Sensor 1 and the Guanine Exchange Factor Ric8a with a Small Phenothiazine Molecule for the Rational Generation of Therapeutic Synapse Function Regulators.
J. Med. Chem., 61, 2018
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5TUR
 | | Pim-1 kinase in complex with a 7-azaindole | | Descriptor: | 1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile, Serine/threonine-protein kinase pim-1 | | Authors: | Mechin, I, Zhang, Y, Wang, R, Batchelor, J.D, Mclean, L. | | Deposit date: | 2016-11-07 | | Release date: | 2017-10-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.948 Å) | | Cite: | Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017
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4LH2
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3G25
 | | 1.9 Angstrom Crystal Structure of Glycerol Kinase (glpK) from Staphylococcus aureus in Complex with Glycerol. | | Descriptor: | GLYCEROL, Glycerol kinase, PHOSPHATE ION, ... | | Authors: | Minasov, G, Skarina, T, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-01-30 | | Release date: | 2009-02-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.9 Angstrom Crystal Structure of Glycerol Kinase (glpK) from Staphylococcus aureus in Complex with Glycerol.
TO BE PUBLISHED
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2W98
 | | CRYSTAL STRUCTURE OF HUMAN ZINC-BINDING ALCOHOL DEHYDROGENASE 1 (ZADH1) IN TERNARY COMPLEX WITH NADP AND PHENYLBUTAZONE | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, CHLORIDE ION, ... | | Authors: | Shafqat, N, Yue, W.W, Muniz, J, Picaud, S, Niesen, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2009-01-22 | | Release date: | 2009-04-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1
To be Published
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7WET
 | | Crystal structure of Peroxiredoxin I in complex with the inhibitor Cela | | Descriptor: | (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid, Peroxiredoxin-1 | | Authors: | Zhang, H, Luo, C. | | Deposit date: | 2021-12-24 | | Release date: | 2022-12-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Celastrol suppresses colorectal cancer via covalent targeting peroxiredoxin 1.
Signal Transduct Target Ther, 8, 2023
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4LGZ
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5GGK
 | | Crystal structure of N-terminal domain of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase in complex with Man-beta-pNP | | Descriptor: | 1,2-ETHANEDIOL, 4-nitrophenyl beta-D-mannopyranoside, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kuwabara, N, Senda, T, Kato, R. | | Deposit date: | 2016-06-16 | | Release date: | 2016-08-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan
Proc.Natl.Acad.Sci.USA, 113, 2016
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5U9C
 | | 1.9 Angstrom Resolution Crystal Structure of dTDP-4-dehydrorhamnose Reductase from Yersinia enterocolitica | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Minasov, G, Shuvalova, L, Flores, K, Dubrovska, I, Olphie, A, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-12-15 | | Release date: | 2016-12-28 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.9 Angstrom Resolution Crystal Structure of dTDP-4-dehydrorhamnose Reductase from Yersinia enterocolitica.
To Be Published
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6T15
 | | The III2-IV(5B)1 respiratory supercomplex from S. cerevisiae | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CARDIOLIPIN, COPPER (II) ION, ... | | Authors: | Marechal, A, Pinotsis, N, Hartley, A. | | Deposit date: | 2019-10-03 | | Release date: | 2020-04-22 | | Last modified: | 2025-10-01 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Rcf2 revealed in cryo-EM structures of hypoxic isoforms of mature mitochondrial III-IV supercomplexes.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6D4Q
 | | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 14 (VCC900455) | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone | | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | | Deposit date: | 2018-04-18 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
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5Z8R
 | | BRD4 Bromodomain 1 with an inhibitor | | Descriptor: | 1-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4 | | Authors: | Xiao, S, Chen, S, Chen, H. | | Deposit date: | 2018-02-01 | | Release date: | 2019-02-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | BRD4 Bromodomain 1 with an inhibitor
To Be Published
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5ZIL
 | | Crystal structure of bacteriorhodopsin at 1.29 A resolution | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, RETINAL | | Authors: | Hasegawa, N, Jonotsuka, H, Miki, K, Takeda, K. | | Deposit date: | 2018-03-16 | | Release date: | 2018-10-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | X-ray structure analysis of bacteriorhodopsin at 1.3 angstrom resolution.
Sci Rep, 8, 2018
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4QYI
 | | 1.95 Angstrom resolution crystal structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-2) from Bacillus anthracis str. 'Ames Ancestor' with HEPES molecule in the active site | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Hypoxanthine phosphoribosyltransferase, ... | | Authors: | Halavaty, A.S, Minasov, G, Dubrovska, I, Winsor, J, Shuvalova, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-07-24 | | Release date: | 2014-08-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 1.95 Angstrom resolution crystal structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-2) from Bacillus anthracis str. 'Ames Ancestor' with HEPES molecule in the active site
To be Published
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5G4H
 | | 1.50 A resolution catechol (1,2-dihydroxybenzene) inhibited Sporosarcina pasteurii urease | | Descriptor: | 1,2-ETHANEDIOL, CATECHOL, HYDROXIDE ION, ... | | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | | Deposit date: | 2016-05-13 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Inactivation of Urease by Catechol: Kinetics and Structure.
J.Inorg.Biochem., 166, 2016
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5M3W
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose and alpha-1,2-mannobiose | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... | | Authors: | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2016-10-17 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
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4LH0
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3G49
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3TI2
 | | 1.90 Angstrom resolution crystal structure of N-terminal domain 3-phosphoshikimate 1-carboxyvinyltransferase from Vibrio cholerae | | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, CHLORIDE ION, TETRAETHYLENE GLYCOL | | Authors: | Light, S.H, Minasov, G, Halavaty, A.S, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-08-19 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.90 Angstrom resolution crystal structure of N-terminal domain 3-phosphoshikimate 1-carboxyvinyltransferase from Vibrio cholerae
TO BE PUBLISHED
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6EG9
 | | IRAK4 in complex with Ponatinib | | Descriptor: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, COBALT (II) ION, Interleukin-1 receptor-associated kinase 4, ... | | Authors: | Wang, L, Wu, H. | | Deposit date: | 2018-08-19 | | Release date: | 2019-02-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.414 Å) | | Cite: | Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
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3N5L
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5Z9K
 | | BRD4 Bromodomain 1 with an inhibitor | | Descriptor: | 1-ethyl-6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4 | | Authors: | Xiao, S, Chen, S, Chen, H. | | Deposit date: | 2018-02-03 | | Release date: | 2019-02-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | BRD4 Bromodomain 1 with an inhibitor
To Be Published
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9DBK
 | | Full-length apo human voltage-gated sodium channel 1.8 (NaV1.8) | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Neumann, B, McCarthy, S, Gonen, S. | | Deposit date: | 2024-08-23 | | Release date: | 2025-02-19 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Structural basis of inhibition of human Na V 1.8 by the tarantula venom peptide Protoxin-I.
Nat Commun, 16, 2025
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9DBL
 | | Full-length apo human voltage-gated sodium channel 1.8 (NaV1.8), class I | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Neumann, B, McCarthy, S, Gonen, S. | | Deposit date: | 2024-08-23 | | Release date: | 2025-02-19 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Structural basis of inhibition of human Na V 1.8 by the tarantula venom peptide Protoxin-I.
Nat Commun, 16, 2025
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5Z2C
 | | Crystal structure of ALPK-1 N-terminal domain in complex with ADP-heptose | | Descriptor: | Alpha-protein kinase 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5S,6R)-6-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate | | Authors: | Ding, J, She, Y, Shao, F. | | Deposit date: | 2018-01-02 | | Release date: | 2018-08-22 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.594 Å) | | Cite: | Alpha-kinase 1 is a cytosolic innate immune receptor for bacterial ADP-heptose.
Nature, 561, 2018
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