1WCC
 
 | | Screening for fragment binding by X-ray crystallography | | Descriptor: | 2-AMINO-6-CHLOROPYRAZINE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Cleasby, A, O'Reilly, M, Hartshorn, M.J, Murray, C.W, Tickle, I.J, Jhoti, H, Frederickson, M. | | Deposit date: | 2004-11-12 | | Release date: | 2005-01-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
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3H1U
 | | Structure of ubiquitin in complex with Cd ions | | Descriptor: | CADMIUM ION, Ubiquitin | | Authors: | Qureshi, I.A, Ferron, F, Cheung, P, Lescar, J. | | Deposit date: | 2009-04-14 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystallographic structure of ubiquitin in complex with cadmium ions
BMC RES NOTES, 2, 2009
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3GZF
 | | Structure of the C-terminal domain of nsp4 from Feline Coronavirus | | Descriptor: | Replicase polyprotein 1ab, SULFATE ION | | Authors: | Manolaridis, I, Wojdyla, J.A, Panjikar, S, Snijder, E.J, Gorbalenya, A.E, Coutard, B, Tucker, P.A. | | Deposit date: | 2009-04-07 | | Release date: | 2009-08-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.756 Å) | | Cite: | Structure of the C-terminal domain of nsp4 from feline coronavirus
Acta Crystallogr.,Sect.D, 65, 2009
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3ONU
 | | Crystal Structure of P Domain from Norwalk Virus Strain Vietnam 026 | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein | | Authors: | Hansman, G.S, Biertumpfel, C, Chen, L, Georgiev, I, McLellan, J.S, Katayama, K, Kwong, P.D. | | Deposit date: | 2010-08-30 | | Release date: | 2011-05-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.395 Å) | | Cite: | Crystal Structures of GII.10 and GII.12 Norovirus Protruding Domains in Complex with Histo-Blood Group Antigens Reveal Details for a Potential Site of Vulnerability.
J.Virol., 85, 2011
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5JX1
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7ZPT
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3H3O
 | | Glycerol Kinase H232R with Ethylene Glycol | | Descriptor: | 1,2-ETHANEDIOL, Glycerol kinase, PHOSPHATE ION | | Authors: | Yeh, J.I, Kettering, R.D. | | Deposit date: | 2009-04-16 | | Release date: | 2009-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural characterizations of glycerol kinase: unraveling phosphorylation-induced long-range activation
Biochemistry, 48, 2009
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7ZPU
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2XR6
 | | Crystal structure of the complex of the carbohydrate recognition domain of human DC-SIGN with pseudo trimannoside mimic. | | Descriptor: | 2-AZIDOETHANOL, CALCIUM ION, CD209 ANTIGEN, ... | | Authors: | Thepaut, M, Suitkeviciute, I, Sattin, S, Reina, J, Bernardi, A, Fieschi, F. | | Deposit date: | 2010-09-10 | | Release date: | 2011-10-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Unique Dc-Sign Clustering Activity of a Small Glycomimetic: A Lesson for Ligand Design.
Acs Chem.Biol., 9, 2014
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3H69
 | | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Zn2+ atoms complexed with endothall | | Descriptor: | (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION | | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | | Deposit date: | 2009-04-23 | | Release date: | 2009-09-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
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6G7G
 | | Structure of SPH (Self-Incompatibility Protein Homologue) proteins, a widespread family of small, highly stable, secreted proteins from plants | | Descriptor: | S-protein homolog 15 | | Authors: | Rajasekar, K.V, Coulthard, R.J, Ride, J.P, Ji, S, Winn, P.J, Wheeler, M.P, Hyde, E.I, Smith, L.J. | | Deposit date: | 2018-04-06 | | Release date: | 2019-03-06 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structure of SPH (self-incompatibility protein homologue) proteins: a widespread family of small, highly stable, secreted proteins.
Biochem.J., 476, 2019
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4F6N
 | | Crystal structure of Kaiso zinc finger DNA binding protein in complex with methylated CpG site DNA | | Descriptor: | DNA (5'-D(*CP*GP*TP*AP*TP*AP*GP*AP*(5CM)P*GP*(5CM)P*GP*GP*TP*GP*AP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*TP*CP*AP*CP*(5CM)P*GP*(5CM)P*GP*TP*CP*TP*AP*TP*AP*CP*G)-3'), GLYCEROL, ... | | Authors: | Buck-Koehntop, B.A, Stanfield, R.L, Ekiert, D.C, Martinez-Yamout, M.A, Dyson, H.J, Wilson, I.A, Wright, P.E. | | Deposit date: | 2012-05-15 | | Release date: | 2012-09-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molecular basis for recognition of methylated and specific DNA sequences by the zinc finger protein Kaiso.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3PA1
 | | Crystal Structure of P Domain from Norwalk Virus Strain Vietnam 026 in complex with HBGA type A | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, IMIDAZOLE, ... | | Authors: | Hansman, G.S, Biertumpfel, C, Chen, L, Georgiev, I, McLellan, J.S, Katayama, K, Kwong, P.D. | | Deposit date: | 2010-10-18 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal Structures of GII.10 and GII.12 Norovirus Protruding Domains in Complex with Histo-Blood Group Antigens Reveal Details for a Potential Site of Vulnerability.
J.Virol., 85, 2011
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7ZQ7
 | | Structure of RpF-1 | | Descriptor: | Crotonase/enoyl-CoA hydratase family protein | | Authors: | Sanchez-Alba, L, Reverter, D, Conchillo, O, Yero, D, Daura, X, Gibert, I. | | Deposit date: | 2022-04-29 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of RpF-1
To Be Published
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3H68
 | | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Zn2+ atoms originally soaked with cantharidin (which is present in the structure in the hydrolyzed form) | | Descriptor: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION | | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | | Deposit date: | 2009-04-23 | | Release date: | 2009-09-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
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5YDO
 | | Regulatory domain of HypT from Salmonella typhimurium (apo-form) | | Descriptor: | Cell density-dependent motility repressor, SULFATE ION | | Authors: | Jo, I, Hong, S, Ahn, J, Ha, N.C. | | Deposit date: | 2017-09-13 | | Release date: | 2018-11-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for HOCl recognition and regulation mechanisms of HypT, a hypochlorite-specific transcriptional regulator.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5YID
 | | Crystal Structure of KNI-10395 bound Plasmepsin II (PMII) from Plasmodium falciparum | | Descriptor: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ... | | Authors: | Mishra, V, Rathore, I, Bhaumik, P. | | Deposit date: | 2017-10-04 | | Release date: | 2018-07-11 | | Last modified: | 2019-05-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
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8A2E
 | | Crystal Structure of Human Parechovirus 3 2A protein | | Descriptor: | 2A protein, GLYCEROL, SULFATE ION | | Authors: | von Castelmur, E, Zhu, L, wang, X, Fry, E, Ren, J, Perrakis, A, Stuart, D.I. | | Deposit date: | 2022-06-03 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural plasticity of 2A proteins in the Parechovirus family.
To Be Published
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5K87
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6GF0
 | | Lysozyme structure determined from SFX data using a Sheet-on-Sheet chipless chip | | Descriptor: | Lysozyme C | | Authors: | Doak, R.B, Gorel, A, Foucar, L, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrel, D, Owen, R, Barends, T.R.M, Schlichting, I. | | Deposit date: | 2018-04-27 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystallography on a chip - without the chip: sheet-on-sheet sandwich.
Acta Crystallogr D Struct Biol, 74, 2018
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4F6M
 | | Crystal structure of Kaiso zinc finger DNA binding domain in complex with Kaiso binding site DNA | | Descriptor: | DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), Transcriptional regulator Kaiso, ... | | Authors: | Buck-Koehntop, B.A, Stanfield, R.L, Ekiert, D.C, Martinez-Yamout, M.A, Dyson, H.J, Wilson, I.A, Wright, P.E. | | Deposit date: | 2012-05-15 | | Release date: | 2012-09-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular basis for recognition of methylated and specific DNA sequences by the zinc finger protein Kaiso.
Proc.Natl.Acad.Sci.USA, 109, 2012
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5KHG
 | | HCN2 CNBD in complex with cytidine-3', 5'-cyclic monophosphate (cCMP) | | Descriptor: | 4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 | | Authors: | Ng, L.C.T, Putrenko, I, Baronas, V, Van Petegem, F, Accili, E.A. | | Deposit date: | 2016-06-14 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.241 Å) | | Cite: | Cyclic Purine and Pyrimidine Nucleotides Bind to the HCN2 Ion Channel and Variably Promote C-Terminal Domain Interactions and Opening.
Structure, 24, 2016
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7ZTH
 | | Cryo-EM structure of holo-PdxR from Bacillus clausii bound to its target DNA in the open conformation | | Descriptor: | DNA (48-MER), PLP-dependent aminotransferase family protein | | Authors: | Freda, I, Montemiglio, L.C, Tramonti, A, Contestabile, R, Vallone, B, Exertier, C, Savino, C, Chaves Sanjuan, A, Bolognesi, M. | | Deposit date: | 2022-05-10 | | Release date: | 2023-07-05 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR.
Nucleic Acids Res., 51, 2023
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4FLR
 | | Crystal structure of Amylosucrase double mutant A289P-F290L from Neisseria polysaccharea | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amylosucrase, GLYCEROL, ... | | Authors: | Guerin, F, Champion, E, Moulis, C, Barbe, S, Tran, T.H, Morel, S, Descroix, K, Monsan, P, Mulard, L.A, Remaud-Simeon, M, Andre, I, Mourey, L, Tranier, S. | | Deposit date: | 2012-06-15 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Applying pairwise combinations of amino Acid mutations for sorting out highly efficient glucosylation tools for chemo-enzymatic synthesis of bacterial oligosaccharides.
J.Am.Chem.Soc., 134, 2012
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8A5R
 | | Crystal structure of light-activated DNA-binding protein EL222 from Erythrobacter litoralis crystallized and measured in dark. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Koval, T, Chaudhari, A, Fuertes, G, Andersson, I, Dohnalek, J. | | Deposit date: | 2022-06-15 | | Release date: | 2023-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | EL222 from Erythrobacter litoralis.
To Be Published
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