1AEU
| SPECIFICITY OF LIGAND BINDING IN A POLAR CAVITY OF CYTOCHROME C PEROXIDASE (2-METHYLIMIDAZOLE) | Descriptor: | 2-METHYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | Deposit date: | 1997-02-25 | Release date: | 1997-09-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity. Nat.Struct.Biol., 3, 1996
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8AD6
| Structure of DarB bound to c-di-AMP | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CBS domain-containing protein | Authors: | Garcia-Pino, A, Talavera, A. | Deposit date: | 2022-07-07 | Release date: | 2023-07-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structure of DarB bound to c-di-AMP To Be Published
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8AHB
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4QYM
| The crystal structure of a solute-binding protein (N280D mutant) from Anabaena variabilis ATCC 29413 in complex with methionine | Descriptor: | Amino acid/amide ABC transporter substrate-binding protein, HAAT family, MAGNESIUM ION, ... | Authors: | Tan, K, Li, H, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-07-24 | Release date: | 2014-08-13 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.581 Å) | Cite: | The crystal structure of a solute-binding protein (N280D mutant) from Anabaena variabilis ATCC 29413 in complex with methionine To be Published
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133D
| THE CRYSTAL STRUCTURE OF N4-METHYLCYTOSINE.GUANOSIN BASE-PAIRS IN THE SYNTHETIC HEXANUCLEOTIDE D(CGCGM(4)CG) | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*(C34)P*G)-3') | Authors: | Cervi, A.R, Guy, A, Leonard, G.A, Teoule, R, Hunter, W.N. | Deposit date: | 1993-07-29 | Release date: | 1994-01-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of N4-methylcytosine.guanosine base-pairs in the synthetic hexanucleotide d(CGCGm4CG). Nucleic Acids Res., 21, 1993
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8QUX
| Hexameric HIV-1 CA in complex with DDD00100333 | Descriptor: | 1,2-ETHANEDIOL, 4-benzyl-3,4-dihydroquinoxalin-2(1H)-one, Spacer peptide 1 | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-17 | Release date: | 2024-03-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments. Chemmedchem, 19, 2024
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3LU8
| Human serum albumin in complex with compound 3 | Descriptor: | N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide, Serum albumin | Authors: | Buttar, D, Colclough, N, Gerhardt, S, MacFaul, P.A, Phillips, S.D, Plowright, A, Whittamore, P, Tam, K, Maskos, K, Steinbacher, S, Steuber, H. | Deposit date: | 2010-02-17 | Release date: | 2010-10-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions Bioorg.Med.Chem., 18, 2010
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1AH5
| REDUCED FORM SELENOMETHIONINE-LABELLED HYDROXYMETHYLBILANE SYNTHASE DETERMINED BY MAD | Descriptor: | 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, HYDROXYMETHYLBILANE SYNTHASE | Authors: | Helliwell, J.R, Nieh, Y.P, Harrop, S.J, Cassetta, A. | Deposit date: | 1997-04-13 | Release date: | 1997-10-15 | Last modified: | 2013-09-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Determination of the structure of seleno-methionine-labelled hydroxymethylbilane synthase in its active form by multi-wavelength anomalous dispersion. Acta Crystallogr.,Sect.D, 55, 1999
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8QVA
| Hexameric HIV-1 CA in complex with DDD01829894 | Descriptor: | 1,2-ETHANEDIOL, 7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one, Spacer peptide 1 | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-17 | Release date: | 2024-03-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments. Chemmedchem, 19, 2024
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6EN0
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5LR8
| Structure of plastidial phosphorylase Pho1 from Barley | Descriptor: | Alpha-1,4 glucan phosphorylase, CITRIC ACID, PYRIDOXAL-5'-PHOSPHATE | Authors: | Cuesta-Seijo, J.A, Ruzanski, C, Kruzewicz, K, Palcic, M.M. | Deposit date: | 2016-08-18 | Release date: | 2017-05-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Functional and structural characterization of plastidic starch phosphorylase during barley endosperm development. PLoS ONE, 12, 2017
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7RFX
| Importin alpha2 in complex with MERS ORF4B | Descriptor: | Importin subunit alpha-1, ORF4b | Authors: | Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K. | Deposit date: | 2021-07-14 | Release date: | 2021-07-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity. Nat Commun, 13, 2022
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8AHA
| rsEGFP2 photoswitched to its off-state at 100K | Descriptor: | Green fluorescent protein, SULFATE ION | Authors: | Mantovanelli, A, Adam, V. | Deposit date: | 2022-07-21 | Release date: | 2023-07-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Photophysical Studies at Cryogenic Temperature Reveal a Novel Photoswitching Mechanism of rsEGFP2. J.Am.Chem.Soc., 145, 2023
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7RFZ
| Importin alpha 2 in complex with MERS ORF4B NLS peptide | Descriptor: | Importin subunit alpha-1, ORF4b | Authors: | Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K. | Deposit date: | 2021-07-14 | Release date: | 2021-07-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity. Nat Commun, 13, 2022
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4EJ5
| Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A wild-type | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, CARBONATE ION, ... | Authors: | Stura, E.A, Vera, L, Dive, V. | Deposit date: | 2012-04-06 | Release date: | 2012-08-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165. J.Biol.Chem., 287, 2012
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4QS6
| CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 (TARGET EFI-505250) WITH BOUND 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID, NO METAL, THE D314N MUTANT | Descriptor: | 4-hydroxy-3-methoxy-5-nitrobenzoic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, F.M, Almo, S.C. | Deposit date: | 2014-07-03 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal Structure of Ligw2 Decarboxylase from Novosphingobium Aromaticivorans To be Published
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3LVQ
| The crystal structure of ASAP3 in complex with Arf6 in transition state | Descriptor: | ALUMINUM FLUORIDE, Arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 3, ... | Authors: | Ismail, S.A, Vetter, I.R, Sot, B, Wittinghofer, A. | Deposit date: | 2010-02-22 | Release date: | 2010-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.38 Å) | Cite: | The structure of an Arf-ArfGAP complex reveals a Ca2+ regulatory mechanism Cell(Cambridge,Mass.), 141, 2010
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6PFN
| Succinyl-CoA synthase from Francisella tularensis | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, COENZYME A, ... | Authors: | Osipiuk, J, Maltseva, N, Jedrzejczak, R, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-06-21 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Succinyl-CoA synthase from Francisella tularensis to be published
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8QUW
| Hexameric HIV-1 CA in complex with DDD01044153 | Descriptor: | (4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one, 1,2-ETHANEDIOL, Spacer peptide 1 | Authors: | Petit, A.P, Fyfe, P.K. | Deposit date: | 2023-10-17 | Release date: | 2024-03-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments. Chemmedchem, 19, 2024
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3LKO
| Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 1934 strain | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | Authors: | Gras, S, Kedzierski, L, Valkenburg, S.A, Liu, Y.C, Denholm, J, Richards, M, Rimmelzwaan, G.F, Doherty, P.C, Turner, S.J, Rossjohn, J, Kedzierska, K. | Deposit date: | 2010-01-27 | Release date: | 2010-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cross-reactive CD8+ T-cell immunity between the pandemic H1N1-2009 and H1N1-1918 influenza A viruses. Proc.Natl.Acad.Sci.USA, 107, 2010
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8AVU
| Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the dimeric state | Descriptor: | 1,2-ETHANEDIOL, Bacteriocin aureocin A53, D-Aureocin A53, ... | Authors: | Lander, A.J, Baumann, P, Rizkallah, P, Jin, Y, Luk, L.Y.P. | Deposit date: | 2022-08-26 | Release date: | 2023-07-26 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography. Commun Chem, 6, 2023
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6ALO
| VioC L-arginine hydroxylase bound to Fe(II), L-arginine, and a peroxysuccinate intermediate | Descriptor: | 4-peroxy-4-oxobutanoic acid, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ... | Authors: | Dunham, N.P, Mitchell, A.J, Boal, A.K. | Deposit date: | 2017-08-08 | Release date: | 2017-09-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Visualizing the Reaction Cycle in an Iron(II)- and 2-(Oxo)-glutarate-Dependent Hydroxylase. J. Am. Chem. Soc., 139, 2017
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8QUC
| Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT1 | Descriptor: | (5R)-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G, Large, C, Lakshminaraya, B, Williams, E, Sauer, D.B. | Deposit date: | 2023-10-16 | Release date: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | The binding and mechanism of a positive allosteric modulator of Kv3 channels. Nat Commun, 15, 2024
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7RK8
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3LX7
| Crystal structure of a Novel Tudor domain-containing protein SGF29 | Descriptor: | SAGA-associated factor 29 homolog, SULFATE ION, UNKNOWN ATOM OR ION | Authors: | Bian, C.B, Xu, C, Tempel, W, Lam, R, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bochkarev, A, Min, J. | Deposit date: | 2010-02-24 | Release date: | 2010-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation. Embo J., 30, 2011
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