5F64
 
 | | Putative positive transcription regulator (sensor EvgS) from Shigella flexneri | | Descriptor: | Positive transcription regulator EvgA | | Authors: | Nocek, B, Osipiuk, J, Mulligan, R, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-12-05 | | Release date: | 2015-12-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Putative positive transcription regulator (sensor EvgS) from Shigella flexneri.
to be published
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4Q0N
 | | Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand | | Descriptor: | (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one, 1,2-ETHANEDIOL, Protein polybromo-1 | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Monteiro, O, Fedorov, O, Chaikuad, A, Yue, W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-04-02 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand
To be Published
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4PX8
 | | Structure of P. vulgaris HigB toxin | | Descriptor: | CHLORIDE ION, Killer protein | | Authors: | Schureck, M.A, Dunkle, J.A, Maehigashi, T, Dunham, C.M. | | Deposit date: | 2014-03-22 | | Release date: | 2015-10-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Defining the mRNA recognition signature of a bacterial toxin protein.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5TKB
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 4D IN COMPLEX WITH A TETRAFLUORANLINE COMPOUND | | Descriptor: | ETHANOL, MAGNESIUM ION, N-[(2R)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)-6-[(2,3,5,6-tetrafluorophenyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide, ... | | Authors: | Sack, J.S. | | Deposit date: | 2016-10-06 | | Release date: | 2016-12-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling.
Medchemcomm, 8, 2017
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6F1S
 | | C-terminal domain of CglI restriction endonuclease H subunit | | Descriptor: | 1,2-ETHANEDIOL, CglIIR protein, FORMIC ACID | | Authors: | Tamulaitiene, G, Grigaitis, R, Zaremba, M, Silanskas, A. | | Deposit date: | 2017-11-23 | | Release date: | 2018-02-14 | | Last modified: | 2019-01-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The H-subunit of the restriction endonuclease CglI contains a prototype DEAD-Z1 helicase-like motor.
Nucleic Acids Res., 46, 2018
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5TKD
 | | CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH 6-[(3,5-DIMETHYLPHE NYL)AMINO]-8- (METHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBO XAMIDE | | Descriptor: | 6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION | | Authors: | Muckelbauer, J.K. | | Deposit date: | 2016-10-06 | | Release date: | 2016-12-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling.
Medchemcomm, 8, 2017
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4L51
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4L5J
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6EWM
 | | Crystal structure of heme free PORPHYROMONAS GINGIVALIS HEME-BINDING PROTEIN HMUY | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Haemophore HmuY, ... | | Authors: | Antonyuk, S.V, Strange, R.W, Bielecki, M, Olczak, T, Olczak, M. | | Deposit date: | 2017-11-05 | | Release date: | 2018-10-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Tannerella forsythiaTfo belongs toPorphyromonas gingivalisHmuY-like family of proteins but differs in heme-binding properties.
Biosci. Rep., 38, 2018
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5BJY
 | | x-ray structure of the PglF 4,5-dehydratase from campylobacter jejuni, variant M405Y, in complex with UDP | | Descriptor: | 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | | Authors: | Riegert, A.S, Thoden, J.B, Holden, H.M. | | Deposit date: | 2017-09-12 | | Release date: | 2017-11-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Biochemical Investigation of PglF from Campylobacter jejuni Reveals a New Mechanism for a Member of the Short Chain Dehydrogenase/Reductase Superfamily.
Biochemistry, 56, 2017
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6EU8
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7XIJ
 | | Crystal structure of CBP bromodomain liganded with Y08175 | | Descriptor: | 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y. | | Deposit date: | 2022-04-13 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structure of CBP bromodomain liganded with Y08175
To Be Published
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6EYP
 | | X-ray structure of the unliganded uridine phosphorylase from Vibrio cholerae at 1.22A | | Descriptor: | GLYCEROL, MAGNESIUM ION, SODIUM ION, ... | | Authors: | Prokofev, I.I, Balaev, V.V, Gabdoulkhakov, A.G, Betzel, C, Lashkov, A.A. | | Deposit date: | 2017-11-13 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | X-ray structure of the unliganded uridine phosphorylase from Vibrio cholerae at 1.22A
To Be Published
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4PYW
 | | 1.92 angstrom crystal structure of A1AT:TTAI ternary complex | | Descriptor: | ACE-THR-THR-ALA-ILE-NH2, Alpha-1-antitrypsin, GLYCEROL | | Authors: | Nyon, M.P, Day, J, Gooptu, B. | | Deposit date: | 2014-03-28 | | Release date: | 2015-06-10 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | An integrative approach combining ion mobility mass spectrometry, X-ray crystallography, and nuclear magnetic resonance spectroscopy to study the conformational dynamics of alpha 1 -antitrypsin upon ligand binding.
Protein Sci., 24, 2015
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3R6R
 | | Structure of the complex of an intramolecular human telomeric DNA with Berberine formed in K+ solution | | Descriptor: | BERBERINE, DNA (22-mer), POTASSIUM ION | | Authors: | Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R. | | Deposit date: | 2011-03-22 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structure of human telomeric DNA complexed with berberine: an interesting case of stacked ligand to G-tetrad ratio higher than 1:1.
Nucleic Acids Res., 41, 2013
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5C87
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5C7N
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6MRV
 | | Sialidase26 co-crystallized with DANA | | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Sialidase26 | | Authors: | Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Chang, G, Varki, A, Zengler, K. | | Deposit date: | 2018-10-15 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
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4XRF
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5G21
 | | Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 26). | | Descriptor: | ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL), GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | | Authors: | Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W. | | Deposit date: | 2016-04-06 | | Release date: | 2017-02-15 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
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3IRW
 | | Structure of a c-di-GMP riboswitch from V. cholerae | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), IRIDIUM HEXAMMINE ION, MAGNESIUM ION, ... | | Authors: | Smith, K.D. | | Deposit date: | 2009-08-24 | | Release date: | 2009-11-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of ligand binding by a c-di-GMP riboswitch.
Nat.Struct.Mol.Biol., 16, 2009
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6MLR
 | | Cryo-EM structure of microtubule-bound Kif7 in the AMPPNP state | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF7, ... | | Authors: | Mani, N, Jiang, S, Wilson-Kubalek, E.M, Ku, P, Milligan, R.A, Subramanian, R. | | Deposit date: | 2018-09-27 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Interplay between the Kinesin and Tubulin Mechanochemical Cycles Underlies Microtubule Tip Tracking by the Non-motile Ciliary Kinesin Kif7.
Dev.Cell, 49, 2019
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5EYL
 | | TUBULIN-BINDING DARPIN | | Descriptor: | DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN), GLYCEROL, PHOSPHATE ION | | Authors: | Ahmad, S, Kossow, M, Gigant, B. | | Deposit date: | 2015-11-25 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Destabilizing an interacting motif strengthens the association of a designed ankyrin repeat protein with tubulin.
Sci Rep, 6, 2016
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6HP0
 | | Complex of Neuraminidase from H1N1 Influenza Virus in Complex with Oseltamivir Triazol Derivative | | Descriptor: | (3~{R},4~{R},5~{S})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pachl, P, Pokorna, J. | | Deposit date: | 2018-09-19 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Investigation of flexibility of neuraminidase 150-loop using tamiflu derivatives in influenza A viruses H1N1 and H5N1.
Bioorg.Med.Chem., 27, 2019
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4LGB
 | | ABA-mimicking ligand N-(1-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-(4-METHYLPHENYL)METHANESULFONAMIDE in complex with ABA receptor PYL2 and PP2C HAB1 | | Descriptor: | Abscisic acid receptor PYL2, MAGNESIUM ION, N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide, ... | | Authors: | Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E. | | Deposit date: | 2013-06-27 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
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