6E6J
| BRD2_Bromodomain2 complex with inhibitor 744 | Descriptor: | Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | Authors: | Longenecker, K.L, Park, C.H, Bigelow, L. | Deposit date: | 2018-07-25 | Release date: | 2019-07-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer. Nature, 578, 2020
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1UYF
| Human Hsp90-alpha with 8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-9-pent-4-ylnyl-9H-purin-6-ylamine | Descriptor: | 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | Deposit date: | 2004-03-02 | Release date: | 2004-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms Chem.Biol., 11, 2004
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1UYM
| Human Hsp90-beta with PU3 (9-Butyl-8(3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine) | Descriptor: | 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-9H-PURIN-6-AMINE, HEAT SHOCK PROTEIN HSP 90-BETA | Authors: | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | Deposit date: | 2004-03-02 | Release date: | 2004-08-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms Chem.Biol., 11, 2004
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1UYH
| Human Hsp90-alpha with 9-Butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine | Descriptor: | 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | Deposit date: | 2004-03-02 | Release date: | 2004-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms Chem.Biol., 11, 2004
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1UYE
| Human Hsp90-alpha with 8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ylnyl-9H-purin-6-ylamine | Descriptor: | 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | Deposit date: | 2004-03-02 | Release date: | 2004-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms Chem.Biol., 11, 2004
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1UY9
| Human Hsp90-alpha with 8-Benzo[1,3]dioxol-,5-ylmethyl-9-butyl-9H-purin-6-ylamine | Descriptor: | 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | Deposit date: | 2004-03-02 | Release date: | 2004-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms Chem.Biol., 11, 2004
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1UZ2
| The Cys121Ser Mutant of Beta-Lactoglobulin | Descriptor: | BETA-LACTOGLOBULIN | Authors: | McNae, I, Jayat, D, Haertle, T, Holt, C, Sawyer, L. | Deposit date: | 2004-03-03 | Release date: | 2004-05-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A recombinant C121S mutant of bovine beta-lactoglobulin is more susceptible to peptic digestion and to denaturation by reducing agents and heating. Biochemistry, 43, 2004
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1UYG
| Human Hsp90-alpha with 8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine | Descriptor: | 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | Deposit date: | 2004-03-02 | Release date: | 2004-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms Chem.Biol., 11, 2004
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1E5D
| RUBREDOXIN OXYGEN:OXIDOREDUCTASE (ROO) FROM ANAEROBE DESULFOVIBRIO GIGAS | Descriptor: | FLAVIN MONONUCLEOTIDE, MU-OXO-DIIRON, OXYGEN MOLECULE, ... | Authors: | Frazao, C, Silva, G, Gomes, C.M, Matias, P, Coelho, R, Sieker, L, Macedo, S, Liu, M.Y, Oliveira, S, Teixeira, M, Xavier, A.V, Rodrigues-Pousada, C, Carrondo, M.A, Le Gall, J. | Deposit date: | 2000-07-24 | Release date: | 2000-11-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a Dioxygen Reduction Enzyme from Desulfovibrio Gigas Nat.Struct.Biol., 7, 2000
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1QV0
| Atomic resolution structure of obelin from Obelia longissima | Descriptor: | C2-HYDROPEROXY-COELENTERAZINE, COBALT (II) ION, GLYCEROL, ... | Authors: | Liu, Z.J, Vysotski, E.S, Deng, L, Lee, J, Rose, J, Wang, B.C. | Deposit date: | 2003-08-26 | Release date: | 2003-11-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic resolution structure of obelin: soaking with calcium enhances electron density of the second oxygen atom substituted at the C2-position of coelenterazine. Biochem.Biophys.Res.Commun., 311, 2003
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1UKE
| UMP/CMP KINASE FROM SLIME MOLD | Descriptor: | MAGNESIUM ION, P1-(ADENOSINE-5'-P5-(URIDINE-5')PENTAPHOSPHATE, URIDYLMONOPHOSPHATE/CYTIDYLMONOPHOSPHATE KINASE | Authors: | Scheffzek, K, Kliche, W, Wiesmueller, L, Reinstein, J. | Deposit date: | 1998-01-07 | Release date: | 1998-04-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the complex of UMP/CMP kinase from Dictyostelium discoideum and the bisubstrate inhibitor P1-(5'-adenosyl) P5-(5'-uridyl) pentaphosphate (UP5A) and Mg2+ at 2.2 A: implications for water-mediated specificity. Biochemistry, 35, 1996
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6IMM
| Cryo-EM structure of an alphavirus, Sindbis virus | Descriptor: | Assembly protein E3, Octadecane, Spike glycoprotein E1, ... | Authors: | Zhang, X, Ma, J, Chen, L. | Deposit date: | 2018-10-23 | Release date: | 2019-03-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Implication for alphavirus host-cell entry and assembly indicated by a 3.5 angstrom resolution cryo-EM structure. Nat Commun, 9, 2018
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5M1W
| Structure of a stable G-hairpin | Descriptor: | DNA (5'-D(*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*G)-3') | Authors: | Gajarsky, M, Zivkovic, M.L, Stadlbauer, P, Pagano, B, Fiala, R, Amato, J, Tomaska, L, Sponer, J, Plavec, J, Trantirek, L. | Deposit date: | 2016-10-11 | Release date: | 2017-03-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of a Stable G-Hairpin. J. Am. Chem. Soc., 139, 2017
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8BQP
| Hen Egg-White Lysozyme (HEWL) complexed with methyl-functionalised Anderson-Evans polyoxometalate | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | Deposit date: | 2022-11-21 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
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3I3S
| Crystal Structure of H-Ras with Thr50 replaced by Isoleucine | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Gremer, L, Dvorsky, R, Merbitz-Zahradnik, T, Wittinghofer, A, Ahmadian, M.R. | Deposit date: | 2009-06-30 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | A restricted spectrum of NRAS mutations causes Noonan syndrome. Nat.Genet., 42, 2010
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8BQT
| Hen Egg-White Lysozyme (HEWL) complexed with two methyl-functionalised Anderson-Evans polyoxometalates | Descriptor: | CHLORIDE ION, Lysozyme C, Mn-Mo(6)-O(24)-C(10) cluster | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | Deposit date: | 2022-11-21 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
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6MJX
| human cGAS catalytic domain bound with cGAMP | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | Deposit date: | 2018-09-23 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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8A4Q
| crystal structures of diastereomer (R,S,S)-13b (13b-H) in complex with the SARS-CoV-2 Mpro. | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Ibrahim, M, Hilgenfeld, R, Zhang, L. | Deposit date: | 2022-06-13 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease. J.Med.Chem., 65, 2022
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8BQQ
| Hen Egg-White Lysozyme (HEWL) complexed with amine-functionalised Anderson-Evans polyoxometalate | Descriptor: | CHLORIDE ION, Lysozyme C, Mn-Mo(6)-N(2)-O(24)-C(8) cluster | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | Deposit date: | 2022-11-21 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
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8BQR
| Hen Egg-White Lysozyme (HEWL) complexed with biotin-functionalised Anderson-Evans polyoxometalate | Descriptor: | Anderson-Evans polyoxometalate (biotin-functionalised), CALCIUM ION, Lysozyme C | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | Deposit date: | 2022-11-21 | Release date: | 2023-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
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7YQT
| SARS-CoV-2 BA.2.75 S Trimer (1 RBD Up) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Wang, L. | Deposit date: | 2022-08-08 | Release date: | 2022-10-19 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YR3
| SARS-CoV-2 BA.2.75 S Trimer in complex with ACE2(state2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Wang, L. | Deposit date: | 2022-08-08 | Release date: | 2022-10-19 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YQV
| pH 5.5 SARS-CoV-2 BA.2.75 S Trimer (1 RBD Up) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Wang, L. | Deposit date: | 2022-08-08 | Release date: | 2022-10-19 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YR1
| SARS-CoV-2 BA.2.75 S Trimer in complex with XG2v024 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Wang, L. | Deposit date: | 2022-08-08 | Release date: | 2022-10-19 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YR2
| SARS-CoV-2 BA.2.75 S Trimer in complex with ACE2(state1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Wang, L. | Deposit date: | 2022-08-08 | Release date: | 2022-10-19 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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