2MZD
 
 | | Characterization of the p300 Taz2-p53 TAD2 Complex and Comparison with the p300 Taz2-p53 TAD1 Complex | | Descriptor: | Cellular tumor antigen p53, Histone acetyltransferase p300 | | Authors: | Miller Jenkins, L.M, Feng, H, Durell, S.R, Tagad, H.D, Mazur, S.J, Tropea, J.E, Bai, Y, Appella, E. | | Deposit date: | 2015-02-11 | | Release date: | 2015-03-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Characterization of the p300 Taz2-p53 TAD2 Complex and Comparison with the p300 Taz2-p53 TAD1 Complex.
Biochemistry, 54, 2015
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4B4A
 | | Structure of the TatC core of the twin arginine protein translocation system | | Descriptor: | Lauryl Maltose Neopentyl Glycol, SEC-INDEPENDENT PROTEIN TRANSLOCASE PROTEIN TATC | | Authors: | Rollauer, S.E, Tarry, M.J, Jaaskelainen, M, Graham, J.E, Jaeger, F, Krehenbrink, M, Roversi, P, McDowell, M.A, Stansfeld, P.J, Johnson, S, Liu, S.M, Lukey, M.J, Marcoux, J, Robinson, C.V, Sansom, M.S, Palmer, T, Hogbom, M, Berks, B.C, Lea, S.M. | | Deposit date: | 2012-07-30 | | Release date: | 2012-12-05 | | Last modified: | 2012-12-19 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of the Tatc Core of the Twin-Arginine Protein Transport System.
Nature, 49, 2012
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8G4J
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2N7M
 | | NMR-SAXS/WAXS Structure of the core of the U4/U6 di-snRNA | | Descriptor: | RNA (92-MER) | | Authors: | Cornilescu, G, Didychuk, A.L, Rodgers, M.L, Michael, L.A, Burke, J.E, Montemayor, E.J, Hoskins, A.A, Butcher, S.E, Tonelli, M. | | Deposit date: | 2015-09-14 | | Release date: | 2015-12-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Analysis of Multi-Helical RNAs by NMR-SAXS/WAXS: Application to the U4/U6 di-snRNA.
J.Mol.Biol., 428, 2016
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1NC1
 | | Crystal structure of E. coli MTA/AdoHcy nucleosidase complexed with 5'-methylthiotubercidin (MTH) | | Descriptor: | 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, MTA/SAH nucleosidase | | Authors: | Lee, J.E, Cornell, K.A, Riscoe, M.K, Howell, P.L. | | Deposit date: | 2002-12-04 | | Release date: | 2003-11-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Escherichia coli 5'-methylthioadenosine/ S-adenosylhomocysteine nucleosidase inhibitor complexes provide insight into the conformational changes required for substrate binding and catalysis.
J.Biol.Chem., 278, 2003
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7TT9
 | | Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S Y34F variant | | Descriptor: | Group 1 truncated hemoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Martinez, J.E, Liu, K, Siegler, M.A, Schlessman, J.L, Lecomte, J.T.J. | | Deposit date: | 2022-02-01 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S Y34F variant
To Be Published
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2Y4M
 | | MANNOSYLGLYCERATE SYNTHASE IN COMPLEX WITH GDP-Mannose | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), ... | | Authors: | Nielsen, M.M, Suits, M.D.L, Yang, M, Barry, C.S, Martinez-Fleites, C, Tailford, L.E, Flint, J.E, Davis, B.G, Davies, G.J, Gilbert, H.J. | | Deposit date: | 2011-01-07 | | Release date: | 2011-02-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase.
J.Biol.Chem., 286, 2011
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5NZQ
 | | Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 3-(1,3-oxazol-5-yl)aniline. | | Descriptor: | 3-(1,3-oxazol-5-yl)aniline, D-3-phosphoglycerate dehydrogenase | | Authors: | Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J. | | Deposit date: | 2017-05-14 | | Release date: | 2017-06-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
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2Y4K
 | | MANNOSYLGLYCERATE SYNTHASE IN COMPLEX WITH MG-GDP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Nielsen, M.M, Suits, M.D.L, Yang, M, Barry, C.S, Martinez-Fleites, C, Tailford, L.E, Flint, J.E, Davis, B.G, Davies, G.J, Gilbert, H.J. | | Deposit date: | 2011-01-07 | | Release date: | 2011-02-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase.
J.Biol.Chem., 286, 2011
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2Y4U
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2XJJ
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | 1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE, GLYCEROL, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-07-06 | | Release date: | 2010-08-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
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2XGR
 | | extracellular endonuclease | | Descriptor: | DI(HYDROXYETHYL)ETHER, SPD1 NUCLEASE | | Authors: | Korczynska, J.E, Turkenburg, J.P, Taylor, E.J. | | Deposit date: | 2010-06-07 | | Release date: | 2011-07-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Structural Characterization of a Prophage-Encoded Extracellular DNase from Streptococcus Pyogenes.
Nucleic Acids Res., 40, 2012
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2XHT
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | (3-TERT-BUTYL-4-HYDROXYPHENYL)MORPHOLIN-4-YL-METHANONE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-06-21 | | Release date: | 2010-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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4CY6
 | | apo structure of 2-hydroxybiphenyl 3-monooxygenase HbpA | | Descriptor: | 2-HYDROXYBIPHENYL-3-MONOOXYGENASE | | Authors: | Jensen, C.N, Farrugia, J.E, Frank, A, Man, H, Hart, S, Turkenburg, J.P, Grogan, G. | | Deposit date: | 2014-04-10 | | Release date: | 2015-03-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structures of the Apo and Fad-Bound Forms of 2-Hydroxybiphenyl 3-Monooxygenase (Hbpa) Locate Activity Hotspots Identified by Using Directed Evolution.
Chembiochem, 16, 2015
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2XK2
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-07-07 | | Release date: | 2010-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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5OGX
 | | Crystal structure of Amycolatopsis cytochrome P450 reductase GcoB. | | Descriptor: | BROMIDE ION, Cytochrome P450 reductase, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2017-07-13 | | Release date: | 2018-07-04 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion.
Nat Commun, 9, 2018
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2XDX
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, O'Brien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-05-10 | | Release date: | 2010-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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2XJX
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, Onalespib | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-07-06 | | Release date: | 2010-08-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
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5NZP
 | | Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 3-Hydroxybenzisoxazole | | Descriptor: | 1,2-benzoxazol-3-ol, D-3-phosphoglycerate dehydrogenase | | Authors: | Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J. | | Deposit date: | 2017-05-14 | | Release date: | 2017-06-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
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7TTC
 | | BamABCDE bound to substrate EspP | | Descriptor: | 2,3-dideoxy-6-O-[2-deoxy-4-O-phosphono-2-(tetradecanoylamino)-alpha-L-gulopyranosyl]-1-O-phosphono-beta-D-threo-hexopyranose, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | | Authors: | Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D. | | Deposit date: | 2022-02-01 | | Release date: | 2022-03-30 | | Last modified: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structures reveal multiple stages of bacterial outer membrane protein folding.
Cell, 185, 2022
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7TT7
 | | BamABCDE bound to substrate EspP in the barrelized EspP/continuous open BamA state | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Serine protease EspP chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, ... | | Authors: | Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D. | | Deposit date: | 2022-01-31 | | Release date: | 2022-03-30 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Cryo-EM structures reveal multiple stages of bacterial outer membrane protein folding.
Cell, 185, 2022
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2O2O
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7TT6
 | | BamABCDE bound to substrate EspP in the intermediate-open EspP state | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Serine protease EspP chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, ... | | Authors: | Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D. | | Deposit date: | 2022-01-31 | | Release date: | 2022-03-30 | | Last modified: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Cryo-EM structures reveal multiple stages of bacterial outer membrane protein folding.
Cell, 185, 2022
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1Q5O
 | | HCN2J 443-645 in the presence of cAMP, selenomethionine derivative | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 | | Authors: | Zagotta, W.N, Olivier, N.B, Black, K.D, Young, E.C, Olson, R, Gouaux, J.E. | | Deposit date: | 2003-08-08 | | Release date: | 2003-09-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | STRUCTURAL BASIS FOR MODULATION AND AGONIST SPECIFICITY OF HCN PACEMAKER CHANNELS
Nature, 425, 2003
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5O8A
 | | Crystal Structure of rsEGFP2 in the non-fluorescent off-state determined by SFX | | Descriptor: | Green fluorescent protein | | Authors: | Coquelle, N, Sliwa, M, Woodhouse, J, Schiro, G, Adam, V, Aquila, A, Barends, T.R.M, Boutet, S, Byrdin, M, Carbajo, S, De la Mora, E, Doak, R.B, Feliks, M, Fieschi, F, Foucar, L, Guillon, V, Hilpert, M, Hunter, M, Jakobs, S, Koglin, J.E, Kovacsova, G, Lane, T.J, Levy, B, Liang, M, Nass, K, Ridard, J, Robinson, J.S, Roome, C.M, Ruckebusch, C, Seaberg, M, Thepaut, M, Cammarata, M, Demachy, I, Field, M, Shoeman, R.L, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M. | | Deposit date: | 2017-06-12 | | Release date: | 2017-09-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.
Nat Chem, 10, 2018
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