5LU6
 
 | | Heptose isomerase mutant - H64Q | | Descriptor: | 1,2-ETHANEDIOL, D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, GLYCEROL, ... | | Authors: | Vivoli, M, Harmer, N.J, Pang, J. | | Deposit date: | 2016-09-08 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017
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8FAV
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6G09
 | | Crystal Structure of a GH8 xylobiose complex from Teredinibacter turnerae | | Descriptor: | 1,2-ETHANEDIOL, Glycoside hydrolase family 8 domain protein, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | | Authors: | Fowler, C.A, Davies, G.J, Walton, P.H. | | Deposit date: | 2018-03-16 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae.
Acta Crystallogr D Struct Biol, 74, 2018
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6G00
 | | Crystal Structure of a GH8 xylanase from Teredinibacter turnerae | | Descriptor: | 1,2-ETHANEDIOL, Glycoside hydrolase family 8 domain protein, SODIUM ION | | Authors: | Fowler, C.A, Davies, G.J, Walton, P.H. | | Deposit date: | 2018-03-15 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae.
Acta Crystallogr D Struct Biol, 74, 2018
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6G0N
 | | Crystal Structure of a GH8 catalytic mutant xylohexaose complex xylanase from Teredinibacter turnerae | | Descriptor: | GLYCEROL, Glycoside hydrolase family 8 domain protein, beta-D-xylopyranose, ... | | Authors: | Fowler, C.A, Davies, G.J, Walton, P.H. | | Deposit date: | 2018-03-19 | | Release date: | 2018-10-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae.
Acta Crystallogr D Struct Biol, 74, 2018
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6G6E
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1AJ6
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6H2D
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6GRK
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6OFK
 | | Crystal structure of green fluorescent protein (GFP); S65T; ih circular permutant (50-51) | | Descriptor: | ACETATE ION, Green Fluorescent Protein (GFP); S65T; ih circular permutant (50-51) | | Authors: | Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G. | | Deposit date: | 2019-03-30 | | Release date: | 2019-07-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Unified Model for Photophysical and Electro-Optical Properties of Green Fluorescent Proteins.
J.Am.Chem.Soc., 141, 2019
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6HSU
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5B1S
 | | Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2-(2-fluorophenyl)ethanamine | | Descriptor: | 2-(2-fluorophenyl)ethanamine, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, ... | | Authors: | Amano, Y, Tateishi, Y. | | Deposit date: | 2015-12-17 | | Release date: | 2016-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | In silico, in vitro, X-ray crystallography, and integrated strategies for discovering spermidine synthase inhibitors for Chagas disease
Sci Rep, 7, 2017
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5BS0
 | | MAGE-A3 Reactive TCR in complex with Titin Epitope in HLA-A1 | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Raman, M.C.C, Rizkallah, P.J, Simmons, R, Donellan, Z, Dukes, J, Bossi, G, LeProvost, G, Mahon, T, Hickman, E, Lomax, M, Oates, J, Hassan, N, Vuidepot, A, Sami, M, Cole, D.K, Jakobsen, B.K. | | Deposit date: | 2015-06-01 | | Release date: | 2016-03-02 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Direct molecular mimicry enables off-target cardiovascular toxicity by an enhanced affinity TCR designed for cancer immunotherapy.
Sci Rep, 6, 2016
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6G0B
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1YHM
 | | Structure of the complex of Trypanosoma cruzi farnesyl disphosphate synthase with alendronate, Isopentenyl diphosphate and mg+2 | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, MAGNESIUM ION, ... | | Authors: | Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M. | | Deposit date: | 2005-01-09 | | Release date: | 2005-12-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design.
Proteins, 62, 2005
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5BRZ
 | | MAGE-A3 reactive TCR in complex with MAGE-A3 in HLA-A1 | | Descriptor: | Beta-2-microglobulin, GLU-VAL-ASP-PRO-ILE-GLY-HIS-LEU-TYR, HLA class I histocompatibility antigen, ... | | Authors: | Raman, M.C.C, Rizkallah, P.J, Simmons, R, Donnellan, Z, Dukes, J, Bossi, G, LeProvost, G, Mahon, T, Hickman, E, LomaX, M, Oates, J, Hassan, N, Vuidepot, A, Sami, M, Cole, D.K, Jakobsen, B.K. | | Deposit date: | 2015-06-01 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Direct molecular mimicry enables off-target cardiovascular toxicity by an enhanced affinity TCR designed for cancer immunotherapy.
Sci Rep, 6, 2016
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6K1I
 | | Human nucleosome core particle with gammaH2A.X variant | | Descriptor: | CHLORIDE ION, DNA (147-MER), Histone H2AX, ... | | Authors: | Sharma, D, De Falco, L, Davey, C.A. | | Deposit date: | 2019-05-10 | | Release date: | 2020-01-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
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6K1K
 | | Human nucleosome core particle with H2A.X S139E variant | | Descriptor: | CHLORIDE ION, DNA (145-MER), Histone H2AX, ... | | Authors: | Sharma, D, De Falco, L, Davey, C.A. | | Deposit date: | 2019-05-10 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
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6K1J
 | | Human nucleosome core particle with H2A.X variant | | Descriptor: | CHLORIDE ION, DNA (145-MER), Histone H2AX, ... | | Authors: | Sharma, D, De Falco, L, Davey, C.A. | | Deposit date: | 2019-05-10 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
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1EB2
 | | Trypsin inhibitor complex (BPO) | | Descriptor: | 3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPERIDINYL)-2-OXO-1-PHENYLETHYL]BENZAMIDE, CALCIUM ION, SULFATE ION, ... | | Authors: | Wilkinson, K.W, Young, S.C, Liebeschuetz, J.W, Brady, R.L. | | Deposit date: | 2001-07-18 | | Release date: | 2002-02-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pro_Select: Combining Structure-Based Drug Design and Array-Based Chemistry for Rapid Lead Discovery. 2. The Development of a Series of Highly Potent and Selective Factor Xa Inhibitors
J.Med.Chem., 45, 2002
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5A3N
 | | Crystal structure of human PLU-1 (JARID1B) in complex with KDOAM25a | | Descriptor: | 1,2-ETHANEDIOL, 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Nuzzi, A, Ruda, G.F, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U. | | Deposit date: | 2015-06-02 | | Release date: | 2015-07-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent and Selective KDM5 Inhibitor Stops Cellular Demethylation of H3K4me3 at Transcription Start Sites and Proliferation of MM1S Myeloma Cells.
Cell Chem Biol, 24, 2017
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1EB6
 | | Deuterolysin from Aspergillus oryzae | | Descriptor: | 1,2-ETHANEDIOL, NEUTRAL PROTEASE II, ZINC ION | | Authors: | McAuley, K.E, Jia-Xing, Y, Dodson, E.J, Lehmbeck, J, Ostergaard, P.R, Wilson, K.S. | | Deposit date: | 2001-07-19 | | Release date: | 2001-11-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | A Quick Solution: Ab Initio Structure Determination of a 19 kDa Metalloproteinase Using Acorn
Acta Crystallogr.,Sect.D, 57, 2001
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1M1P
 | | P21 crystal structure of the tetraheme cytochrome c3 from Shewanella oneidensis MR1 | | Descriptor: | HEME C, SULFATE ION, Small tetraheme cytochrome c | | Authors: | Leys, D, Meyer, T.E, Tsapin, A.I, Nealson, K.H, Cusanovich, M.A, Van Beeumen, J.J. | | Deposit date: | 2002-06-20 | | Release date: | 2002-08-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structures at atomic resolution reveal the novel concept of 'electron-harvesting' as a role for the small tetraheme cytochrome c
J.Biol.Chem., 277, 2002
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6WE2
 | | Human PARP14 (ARTD8), catalytic fragment in complex with RBN012759 | | Descriptor: | 1,2-ETHANEDIOL, 7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one, Isoform 1 of Protein mono-ADP-ribosyltransferase PARP14 | | Authors: | Swinger, K.K, Schenkel, L.B, Kuntz, K.W. | | Deposit date: | 2020-04-01 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants.
Cell Chem Biol, 28, 2021
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1LJO
 | | CRYSTAL STRUCTURE OF AN SM-LIKE PROTEIN (AF-SM2) FROM ARCHAEOGLOBUS FULGIDUS AT 1.95A RESOLUTION | | Descriptor: | ACETIC ACID, Archaeal Sm-like protein AF-Sm2, CADMIUM ION | | Authors: | Toro, I, Basquin, J, Teo-Dreher, H, Suck, D. | | Deposit date: | 2002-04-22 | | Release date: | 2002-07-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Archaeal Sm proteins form heptameric and hexameric complexes: crystal structures of the Sm1 and Sm2 proteins from the hyperthermophile Archaeoglobus fulgidus.
J.Mol.Biol., 320, 2002
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