7MT8
 
 | | Rhodopsin kinase (GRK1)-S5E/S488E/T489E in complex with rhodopsin | | Descriptor: | RETINAL, Rhodopsin, Rhodopsin kinase GRK1, ... | | Authors: | Chen, Q, Chen, C.-L, Tesmer, J.J.G. | | Deposit date: | 2021-05-13 | | Release date: | 2021-07-07 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (5.8 Å) | | Cite: | Structures of rhodopsin in complex with G-protein-coupled receptor kinase 1.
Nature, 595, 2021
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6Q8P
 | | Structure of CLK1 with bound N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine | | Descriptor: | Dual specificity protein kinase CLK1, POTASSIUM ION, ~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine | | Authors: | Joerger, A.C, Chatterjee, D, Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Josselin, B, Baratte, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-12-15 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Eur J Med Chem, 166, 2019
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1FKM
 | | CRYSTAL STRUCTURE OF THE YPT/RAB-GAP DOMAIN OF GYP1P | | Descriptor: | PROTEIN (GYP1P) | | Authors: | Rak, A, Fedorov, R, Alexandrov, K, Albert, S, Goody, R.S, Gallwitz, D, Scheidig, A.J. | | Deposit date: | 2000-08-09 | | Release date: | 2001-02-09 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the GAP domain of Gyp1p: first insights into interaction with Ypt/Rab proteins.
EMBO J., 19, 2000
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7YO2
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5I21
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6YM5
 | | Crystal structure of BAY-091 with PIP4K2A | | Descriptor: | (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | Authors: | Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C. | | Deposit date: | 2020-04-07 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
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3I9P
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6WYQ
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with 4-iodo-SAHA | | Descriptor: | Histone deacetylase 6, N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide, POTASSIUM ION, ... | | Authors: | Osko, J.D, Christianson, D.W. | | Deposit date: | 2020-05-13 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.90001464 Å) | | Cite: | Binding of inhibitors to active-site mutants of CD1, the enigmatic catalytic domain of histone deacetylase 6.
Acta Crystallogr.,Sect.F, 76, 2020
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8RF7
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4QGM
 | | Acireductone dioxygenase from Bacillus anthracis with cadmium ion in active center | | Descriptor: | Acireductone dioxygenase, CADMIUM ION | | Authors: | Milaczewska, A.M, Chruszcz, M, Shabalin, I.G, Cooper, D.R, Borowski, T, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-05-23 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Acireductone dioxygenase from Bacillus anthracis with cadmium ion in active center
To be Published
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1C26
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6MQG
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6TRO
 | | Crystal structure of the T-cell receptor GVY01 bound to HLA A2*01-GVYDGREHTV | | Descriptor: | Beta-2-microglobulin, MAGE-A4 peptide (amino acids 230-239), MHC class I antigen, ... | | Authors: | Coles, C.H, McMurran, C, Lloyd, A, Hibbert, L, Lupardus, P.J, Cole, D.K, Harper, S. | | Deposit date: | 2019-12-19 | | Release date: | 2020-06-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | T cell receptor interactions with human leukocyte antigen govern indirect peptide selectivity for the cancer testis antigen MAGE-A4.
J.Biol.Chem., 295, 2020
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6QLT
 | | Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative-7 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, DI(HYDROXYETHYL)ETHER, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-02-01 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
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1FC8
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5LA8
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6QGG
 | | Structure of human Bcl-2 in complex with analogue of ABT-737 | | Descriptor: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-11 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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7UGG
 | | Cryo-EM structure of TRPV3 in complex with the anesthetic dyclonine | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Dyclonine, SODIUM ION, ... | | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | | Deposit date: | 2022-03-24 | | Release date: | 2022-06-08 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Structural mechanism of TRPV3 channel inhibition by the anesthetic dyclonine.
Nat Commun, 13, 2022
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6YRZ
 | | Crystal structure of FAP et pH 8.5 after illumination at 150K | | Descriptor: | CARBON DIOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, ... | | Authors: | Sorigue, D, Legrand, P, Blangy, S, Beisson, F, Arnoux, P. | | Deposit date: | 2020-04-20 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.824 Å) | | Cite: | Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
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6TQB
 | | X-ray structure of Roquin ROQ domain in complex with a UCP3 CDE1 SL RNA motif | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Binas, O, Tants, J.-N, Peter, S.A, Janowski, R, Davydova, E, Braun, J, Niessing, D, Schwalbe, H, Weigand, J.E, Schlundt, A. | | Deposit date: | 2019-12-16 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
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6WKE
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6YM3
 | | Crystal structure of Compound 1 with PIP4K2A | | Descriptor: | (2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | Authors: | Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C. | | Deposit date: | 2020-04-07 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
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6YM4
 | | Crystal structure of BAY-297 with PIP4K2A | | Descriptor: | (2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | Authors: | Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C. | | Deposit date: | 2020-04-07 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
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8H2T
 | | Cryo-EM structure of IadD/E dioxygenase bound with IAA | | Descriptor: | 1H-INDOL-3-YLACETIC ACID, Aromatic-ring-hydroxylating dioxygenase beta subunit, FE (III) ION, ... | | Authors: | Yu, G, Li, Z, Zhang, H. | | Deposit date: | 2022-10-07 | | Release date: | 2023-06-14 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | Structural and biochemical characterization of the key components of an auxin degradation operon from the rhizosphere bacterium Variovorax.
Plos Biol., 21, 2023
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5KKS
 | | ROCK 1 bound to azaindole thiazole inhibitor | | Descriptor: | 2-[3-(methylsulfonylamino)phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide, Rho-associated protein kinase 1 | | Authors: | Jacobs, M.D. | | Deposit date: | 2016-06-22 | | Release date: | 2017-06-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors
Bioorg.Med.Chem.Lett., 2018
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