1URF
 
 | | HR1b domain from PRK1 | | Descriptor: | PROTEIN KINASE C-LIKE 1 | | Authors: | Owen, D, Lowe, P.N, Nietlispach, D, Brosnan, C.E, Chirgadze, D.Y, Parker, P.J, Blundell, T.L, Mott, H.R. | | Deposit date: | 2003-10-29 | | Release date: | 2003-11-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Molecular Dissection of the Interaction between the Small G Proteins Rac1 and Rhoa and Protein Kinase C-Related Kinase 1 (Prk1)
J.Biol.Chem., 278, 2003
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4HGL
 | | Crystal structure of ck1g3 with compound 1 | | Descriptor: | 2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform gamma-3, SULFATE ION | | Authors: | Huang, X. | | Deposit date: | 2012-10-08 | | Release date: | 2012-11-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Based Design of Potent and Selective CK1 gamma Inhibitors.
ACS Med Chem Lett, 3, 2012
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5IH7
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8REW
 | | CryoEM structure of human GARP-lTGFbeta1 in complex with a Fab fragment derived from an activating antibody. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Transforming growth factor beta activator LRRC32, ... | | Authors: | Felix, J, Lambert, F, Marien, L, van der Woning, B, Savvides, S.N, Lucas, S. | | Deposit date: | 2023-12-12 | | Release date: | 2025-03-26 | | Last modified: | 2025-10-08 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Antibody-mediated TGF-beta 1 activation for the treatment of diseases caused by deleterious T cell activity.
Cell Rep, 44, 2025
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1NXG
 | | The F383A variant of type II Citrate Synthase complexed with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Citrate synthase, SULFATE ION | | Authors: | Maurus, R, Nguyen, N.T, Stokell, D.J, Ayed, A, Hultin, P.G, Duckworth, H.W, Brayer, G.D. | | Deposit date: | 2003-02-10 | | Release date: | 2003-04-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights into the evolution of allosteric properties. The NADH binding site of hexameric type II citrate synthases.
Biochemistry, 42, 2003
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5VCV
 | | CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH Dasatinib | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | | Authors: | Zhu, J.-Y, Martin, M.P, Schonbrunn, E. | | Deposit date: | 2017-04-01 | | Release date: | 2017-08-23 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
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1NW4
 | | Crystal Structure of Plasmodium falciparum Purine Nucleoside Phosphorylase in complex with ImmH and Sulfate | | Descriptor: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, ISOPROPYL ALCOHOL, SULFATE ION, ... | | Authors: | Shi, W, Ting, L.M, Kicska, G.A, Lewandowicz, A, Tyler, P.C, Evans, G.B, Furneaux, R.H, Kim, K, Almo, S.C, Schramm, V.L. | | Deposit date: | 2003-02-05 | | Release date: | 2004-03-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Plasmodium falciparum Purine Nucleoside Phosphorylase: CRYSTAL STRUCTURES, IMMUCILLIN INHIBITORS, AND DUAL CATALYTIC FUNCTION.
J.Biol.Chem., 279, 2004
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9FFP
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5ULG
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8E59
 | | Human L-type voltage-gated calcium channel Cav1.3 in the presence of Amiodarone at 3.1 Angstrom resolution | | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-08-20 | | Release date: | 2022-12-07 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
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9FFQ
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6SHN
 | | Escherichia coli AGPase in complex with FBP. Symmetry C1 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase | | Authors: | Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E. | | Deposit date: | 2019-08-07 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM.
Curr Res Struct Biol, 2, 2020
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8E57
 | | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 100 microM MNI-1 at 2.8 Angstrom resolution | | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-08-20 | | Release date: | 2022-12-07 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
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6GAP
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9FFN
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8E56
 | | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone at 2.8 Angstrom resolution | | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-08-20 | | Release date: | 2022-12-07 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
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8SW3
 | | BG505 GT1.1 SOSIP in complex with NHP Fabs 12C11 and RM20A3 | | Descriptor: | 12C11 heavy chain variable region, 12C11 light chain variable region, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, S, Torres, J.L, Ozorowski, G, Ward, A.B. | | Deposit date: | 2023-05-17 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Germline-targeting HIV vaccination induces neutralizing antibodies to the CD4 binding site.
Sci Immunol, 9, 2024
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9CKV
 | | Cryo-EM structure of alpha5beta1 integrin in complex with NeoNectin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Werther, R, Nguyen, A, Estrada Alamo, K.A, Wang, X, Campbell, M.G. | | Deposit date: | 2024-07-09 | | Release date: | 2024-07-17 | | Last modified: | 2025-09-10 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | De Novo Design of Integrin alpha 5 beta 1 Modulating Proteins to Enhance Biomaterial Properties.
Adv Mater, 37, 2025
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8E58
 | | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 1 mM MNI-1 at 3.0 Angstrom resolution | | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-08-20 | | Release date: | 2022-12-07 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
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5P90
 | | humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[(E)-5-pyrrolo[3,2-c]pyridin-1-ylpent-3-enyl]benzamide at 1.24A | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-(4-fluorophenyl)-2,3-dihydroxy-N-[(E)-5-pyrrolo[3,2-c]pyridin-1-ylpent-3-enyl]benzamide, ... | | Authors: | Ehler, A, Lerner, C, Rudolph, M.G. | | Deposit date: | 2016-08-29 | | Release date: | 2017-08-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Crystal Structure of a COMT complex
To be published
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5KJ2
 | | The novel p300/CBP inhibitor A-485 uncovers a unique mechanism of action to target AR in castrate resistant prostate cancer | | Descriptor: | Histone acetyltransferase p300, N-[(4-fluorophenyl)methyl]-2-{(1R)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'H-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide, SODIUM ION | | Authors: | Jakob, C.G, Qiu, W, Edalji, R.P, Sun, C. | | Deposit date: | 2016-06-17 | | Release date: | 2017-09-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of a selective catalytic p300/CBP inhibitor that targets lineage-specific tumours.
Nature, 550, 2017
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7SH2
 | | Structure of the yeast Rad24-RFC loader bound to DNA and the open 9-1-1 clamp | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, Crick strand, ... | | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | | Deposit date: | 2021-10-07 | | Release date: | 2022-03-23 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | DNA is loaded through the 9-1-1 DNA checkpoint clamp in the opposite direction of the PCNA clamp.
Nat.Struct.Mol.Biol., 29, 2022
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6AQS
 | | Crystal structure of Plasmodium falciparum purine nucleoside phosphorylase (V181D) mutant complexed with DADMe-ImmG and phosphate | | Descriptor: | 1,2-ETHANEDIOL, 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, ... | | Authors: | Harijan, R.K, Ducati, R.G, Namanja-Magliano, H.A, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2017-08-21 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Genetic resistance to purine nucleoside phosphorylase inhibition in
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7AYN
 | | Crystal structure of the lectin domain of the FimH variant Arg98Ala, in complex with Methyl 3-chloro-4-D-mannopyranosyloxy-3-biphenylcarboxylate | | Descriptor: | 1,2-ETHANEDIOL, Type 1 fimbrin D-mannose specific adhesin, methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate | | Authors: | Jakob, R.P, Tomasic, T, Rabbani, S, Reisner, A, Jakopin, Z, Maier, T, Ernst, B, Anderluh, M. | | Deposit date: | 2020-11-12 | | Release date: | 2020-12-23 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Does targeting Arg98 of FimH lead to high affinity antagonists?
Eur.J.Med.Chem., 211, 2020
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7SGZ
 | | Structure of the yeast Rad24-RFC loader bound to DNA and the closed 9-1-1 clamp | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, Crick strand, ... | | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | | Deposit date: | 2021-10-07 | | Release date: | 2022-03-23 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | DNA is loaded through the 9-1-1 DNA checkpoint clamp in the opposite direction of the PCNA clamp.
Nat.Struct.Mol.Biol., 29, 2022
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