6S57
 
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5BZ3
 | | CRYSTAL STRUCTURE OF SODIUM PROTON ANTIPORTER NAPA IN OUTWARD-FACING CONFORMATION. | | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE, Na(+)/H(+) antiporter | | Authors: | Coincon, M, Uzdavinys, P, Emmanuel, N, Cameron, A, Drew, D. | | Deposit date: | 2015-06-11 | | Release date: | 2016-01-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures reveal the molecular basis of ion translocation in sodium/proton antiporters.
Nat.Struct.Mol.Biol., 23, 2016
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6S55
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6S4J
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6S56
 | | Crystal structure of human ATAD2 bromodomain in complex with N-(4-chloro-3-(N,N-dimethylsulfamoyl)phenyl)-2-(2,5-dioxo-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalen]-1-yl)acetamide | | Descriptor: | 1,2-ETHANEDIOL, 2-[(4~{R})-2',5'-bis(oxidanylidene)spiro[2,3-dihydro-1~{H}-naphthalene-4,4'-imidazolidine]-1'-yl]-~{N}-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]ethanamide, ATPase family AAA domain-containing protein 2, ... | | Authors: | Chung, C. | | Deposit date: | 2019-06-30 | | Release date: | 2019-08-21 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | A Qualified Success: Discovery of a New Series of ATAD2 Bromodomain Inhibitors with a Novel Binding Mode Using High-Throughput Screening and Hit Qualification.
J.Med.Chem., 62, 2019
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6S4I
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5C9J
 | | Human CD1c with ligands in A' and F' channel | | Descriptor: | Beta-2-microglobulin, GLYCEROL, LAURIC ACID, ... | | Authors: | Tews, I, Machelett, M.M, Mansour, S, Gadola, S.D. | | Deposit date: | 2015-06-27 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Cholesteryl esters stabilize human CD1c conformations for recognition by self-reactive T cells.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5BZ2
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6SM8
 | | Human jak1 kinase domain in complex with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile, Tyrosine-protein kinase JAK1 | | Authors: | Read, J.A, Steuber, H. | | Deposit date: | 2019-08-21 | | Release date: | 2020-04-29 | | Last modified: | 2020-05-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor.
J.Med.Chem., 63, 2020
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6ST8
 | | Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein | | Descriptor: | Major strawberry allergen Fra a 1-2 | | Authors: | Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C. | | Deposit date: | 2019-09-10 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
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5A4C
 | | FGFR1 ligand complex | | Descriptor: | 1,2-ETHANEDIOL, 1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ... | | Authors: | Klein, T, Vajpai, N, Phillips, J.J, Davies, G, Holdgate, G.A, Phillips, C, Tucker, J.A, Norman, R.A, Scott, A.S, Higazi, D.R, Lowe, D, Thompson, G.S, Breeze, A.L. | | Deposit date: | 2015-06-05 | | Release date: | 2015-08-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase.
Nat.Commun., 6, 2015
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5A5R
 | | Crystal structure of human ATAD2 bromodomain in complex with 5-5- methoxypyridin-3-yl-3-methyl-8-piperidin-4-ylamino-1,2-dihydro-1,7- naphthyridin-2-one | | Descriptor: | 1,2-ETHANEDIOL, 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ... | | Authors: | Chung, C, Bamborough, P, Demont, E. | | Deposit date: | 2015-06-20 | | Release date: | 2015-07-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
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6STB
 | | Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, Q64W mutant | | Descriptor: | Major strawberry allergen Fra a 1-2 | | Authors: | Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C. | | Deposit date: | 2019-09-10 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
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6STA
 | | Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, E46A D48A mutant | | Descriptor: | Major strawberry allergen Fra a 1-2 | | Authors: | Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C. | | Deposit date: | 2019-09-10 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
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5A46
 | | FGFR1 in complex with dovitinib | | Descriptor: | 1,2-ETHANEDIOL, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ... | | Authors: | Klein, T, Vajpai, N, Phillips, J.J, Davies, G, Holdgate, G.A, Phillips, C, Tucker, J.A, Norman, R.A, Scott, A.S, Higazi, D.R, Lowe, D, Thompson, G.S, Breeze, A.L. | | Deposit date: | 2015-06-05 | | Release date: | 2015-08-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase.
Nat.Commun., 6, 2015
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5A5S
 | | NN-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-5-methoxypyridin-3-yl-3- methyl-8-piperidin-4-ylamino-1,2-dihydro-1,7-naphthyridin-2-one | | Descriptor: | 1,2-ETHANEDIOL, 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one, BROMODOMAIN-CONTAINING PROTEIN 4 | | Authors: | Chung, C, Bamborough, P, Demont, E. | | Deposit date: | 2015-06-20 | | Release date: | 2015-07-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
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5A5N
 | | Crystal structure of human ATAD2 bromodomain in complex with (2S)-2,6- diacetamido-N-methylhexanamide | | Descriptor: | (2S)-2,6-diacetamido-N-methyl-hexanamide, 1,2-ETHANEDIOL, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ... | | Authors: | Chung, C, Bamborough, P, Demont, E. | | Deposit date: | 2015-06-20 | | Release date: | 2015-07-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
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6ST9
 | | Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, D48R mutant | | Descriptor: | CHLORIDE ION, Major strawberry allergen Fra a 1-2 | | Authors: | Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C. | | Deposit date: | 2019-09-10 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
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6SMB
 | | Human jak1 kinase domain in complex with inhibitor | | Descriptor: | Tyrosine-protein kinase JAK1, ~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide | | Authors: | Read, J.A, Steuber, H. | | Deposit date: | 2019-08-21 | | Release date: | 2020-04-29 | | Last modified: | 2020-05-27 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor.
J.Med.Chem., 63, 2020
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6RCO
 | | PfRH5-binding monoclonal antibody R5.004 | | Descriptor: | ACETATE ION, GLYCEROL, R5.004 heavy chain, ... | | Authors: | Alanine, D.G.W, Draper, S.J, Higgins, M.K. | | Deposit date: | 2019-04-11 | | Release date: | 2019-06-26 | | Last modified: | 2019-08-21 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies.
Cell, 178, 2019
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6RCU
 | | PfRH5 bound to monoclonal antibodies R5.004 and R5.016 | | Descriptor: | R5.004 heavy chain, R5.004 light chain, R5.016 heavy chain, ... | | Authors: | Alanine, D.W.G, Draper, S.J, Higgins, M.K. | | Deposit date: | 2019-04-11 | | Release date: | 2019-06-26 | | Last modified: | 2019-08-21 | | Method: | X-RAY DIFFRACTION (4.005 Å) | | Cite: | Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies.
Cell, 178, 2019
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6R92
 | | Cryo-EM structure of NCP-THF2(+1)-UV-DDB class B | | Descriptor: | DNA damage-binding protein 1,DNA damage-binding protein 1, DNA damage-binding protein 2, Histone H2A type 1-B/E, ... | | Authors: | Matsumoto, S, Cavadini, S, Bunker, R.D, Thoma, N.H. | | Deposit date: | 2019-04-02 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | DNA damage detection in nucleosomes involves DNA register shifting.
Nature, 571, 2019
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6R8Z
 | | Cryo-EM structure of NCP_THF2(-1)-UV-DDB | | Descriptor: | DNA damage-binding protein 1, DNA damage-binding protein 2, Histone H2A type 1-B/E, ... | | Authors: | Matsumoto, S, Cavadini, S, Bunker, R.D, Thoma, N.H. | | Deposit date: | 2019-04-02 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | DNA damage detection in nucleosomes involves DNA register shifting.
Nature, 571, 2019
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6R94
 | | Cryo-EM structure of NCP_THF2(-3) | | Descriptor: | Histone H2A type 1-B/E, Histone H2B type 1-J, Histone H3.1, ... | | Authors: | Matsumoto, S, Cavadini, S, Bunker, R.D, Thoma, N.H. | | Deposit date: | 2019-04-02 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | DNA damage detection in nucleosomes involves DNA register shifting.
Nature, 571, 2019
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6RCV
 | | PfRH5 bound to monoclonal antibodies R5.011 and R5.016 | | Descriptor: | R5.011 heavy chain, R5.011 light chain, R5.016 heavy chain, ... | | Authors: | Alanine, D.W.G, Draper, S.J, Higgins, M.K. | | Deposit date: | 2019-04-11 | | Release date: | 2019-06-26 | | Last modified: | 2019-07-10 | | Method: | X-RAY DIFFRACTION (3.582 Å) | | Cite: | Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies.
Cell, 178, 2019
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