3L2Q
| Crystal structure of the Prototype Foamy Virus (PFV) intasome in apo form | Descriptor: | 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', GLYCEROL, ... | Authors: | Hare, S, Gupta, S.S, Cherepanov, P. | Deposit date: | 2009-12-15 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Retroviral intasome assembly and inhibition of DNA strand transfer Nature, 464, 2010
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3L2U
| Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and GS9137 (Elvitegravir) | Descriptor: | 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', 6-(3-chloro-2-fluorobenzyl)-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, ... | Authors: | Hare, S, Gupta, S.S, Cherepanov, P. | Deposit date: | 2009-12-15 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Retroviral intasome assembly and inhibition of DNA strand transfer Nature, 464, 2010
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3L2W
| Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with manganese and GS9137 (Elvitegravir) | Descriptor: | 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', 6-(3-chloro-2-fluorobenzyl)-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, ... | Authors: | Hare, S, Gupta, S.S, Cherepanov, P. | Deposit date: | 2009-12-15 | Release date: | 2010-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Retroviral intasome assembly and inhibition of DNA strand transfer Nature, 464, 2010
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4W5I
| Crystal structure of human tankyrase 2 in complex with 1-methyl-7-phenyl-1,2,3,4,5,6-hexahydro-1,6- naphthyridin-5-one | Descriptor: | 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Lehtio, L. | Deposit date: | 2014-08-18 | Release date: | 2015-06-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases. Bioorg.Med.Chem., 23, 2015
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8CAX
| Structure of Tau filaments Type II from Subacute Sclerosing Panencephalitis | Descriptor: | Microtubule-associated protein tau | Authors: | Qi, C, Hasegawa, M, Takao, M, Sakai, M, Akagi, M, Iwasaki, Y, Yoshida, M, Scheres, S.H.W, Goedert, M. | Deposit date: | 2023-01-24 | Release date: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Identical tau filaments in subacute sclerosing panencephalitis and chronic traumatic encephalopathy. Acta Neuropathol Commun, 11, 2023
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8CAQ
| Structure of Tau filaments Type I from Subacute Sclerosing Panencephalitis | Descriptor: | Microtubule-associated protein tau | Authors: | Qi, C, Hasegawa, M, Takao, M, Sakai, M, Akagi, M, Iwasaki, Y, Yoshida, M, Scheres, S.H.W, Goedert, M. | Deposit date: | 2023-01-24 | Release date: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Identical tau filaments in subacute sclerosing panencephalitis and chronic traumatic encephalopathy. Acta Neuropathol Commun, 11, 2023
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4UX4
| Crystal structure of human tankyrase 2 in complex with 1-methyl-7-(4- methylphenyl)-5-oxo-5,6-dihydro-1,6-naphthyridin-1-ium | Descriptor: | (1S)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Lehtio, L. | Deposit date: | 2014-08-19 | Release date: | 2015-06-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Design, Synthesis and Evaluation in Vitro of Arylnaphthyridinones, Arylpyridopyrimidinones and Their Tetrahydro Derivatives as Inhibitors of the Tankyrases. Bioorg.Med.Chem., 23, 2015
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8CN7
| Pa.FabF-C164Q in complex with platencin | Descriptor: | 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE | Authors: | Georgiou, C, Brenk, R. | Deposit date: | 2023-02-22 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
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6S9U
| Crystal structure of sucrose 6F-phosphate phosphorylase from Ilumatobacter coccineus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, ... | Authors: | Capra, N, Franceus, J, Desmet, T, Thunnissen, A.M.W.H. | Deposit date: | 2019-07-15 | Release date: | 2019-08-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Comparison of a Promiscuous and a Highly Specific Sucrose 6 F -Phosphate Phosphorylase. Int J Mol Sci, 20, 2019
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6M7E
| Structure of bovine lactoperoxidase with multiple iodide ions in the distaline heme cavity. | Descriptor: | 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Maurya, A, Viswanathan, V, Pandey, N, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2020-03-18 | Release date: | 2020-04-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structure of bovine lactoperoxidase with multiple iodide ions in the distaline heme cavity. To Be Published
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8IXM
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8IXH
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5TQ4
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5TQ6
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5TQ3
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5TQ7
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5TQ5
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1A5Q
| P93A VARIANT OF BOVINE PANCREATIC RIBONUCLEASE A | Descriptor: | RIBONUCLEASE A, SULFATE ION | Authors: | Pearson, M.A, Karplus, P.A, Dodge, R.W, Laity, J.H, Scheraga, H.A. | Deposit date: | 1998-02-17 | Release date: | 1998-05-27 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of two mutants that have implications for the folding of bovine pancreatic ribonuclease A. Protein Sci., 7, 1998
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6LFQ
| Crystal structure of Poa1p in apo form | Descriptor: | ADP-ribose 1''-phosphate phosphatase, GLYCEROL | Authors: | Chiu, Y.C, Hsu, C.H. | Deposit date: | 2019-12-03 | Release date: | 2020-12-09 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.359 Å) | Cite: | Expanding the Substrate Specificity of Macro Domains toward 3''-Isomer of O-Acetyl-ADP-ribose Acs Catalysis, 11, 2021
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5XDB
| Crystal structure of FMN-bound TdsC from Paenibacillus sp. A11-2 | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, SULFATE ION, ... | Authors: | Hino, T, Hamamoto, H, Ohshiro, T, Nagano, S. | Deposit date: | 2017-03-28 | Release date: | 2017-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.811 Å) | Cite: | Crystal structures of TdsC, a dibenzothiophene monooxygenase from the thermophile Paenibacillus sp. A11-2, reveal potential for expanding its substrate selectivity. J. Biol. Chem., 292, 2017
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5XDC
| Crystal structure of Indole-bound TdsC from Paenibacillus sp. A11-2 | Descriptor: | GLYCEROL, INDOLE, SULFATE ION, ... | Authors: | Hino, T, Hamamoto, H, Ohshiro, T, Nagano, S. | Deposit date: | 2017-03-28 | Release date: | 2017-08-09 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.5785 Å) | Cite: | Crystal structures of TdsC, a dibenzothiophene monooxygenase from the thermophile Paenibacillus sp. A11-2, reveal potential for expanding its substrate selectivity. J. Biol. Chem., 292, 2017
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6BBU
| Crystal Structure of JAK1 in complex with compound 25 | Descriptor: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK1 | Authors: | Han, S. | Deposit date: | 2017-10-19 | Release date: | 2018-01-17 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases. J. Med. Chem., 61, 2018
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5YG4
| Plasmodium vivax SHMT bound with PLP-glycine and S-GS849 | Descriptor: | 2-[1-[(3~{S})-6'-azanyl-5'-cyano-7-fluoranyl-2,2,3'-trimethyl-spiro[1~{H}-indene-3,4'-2~{H}-pyrano[2,3-c]pyrazole]-5-yl]piperidin-4-yl]ethanoic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | Deposit date: | 2017-09-22 | Release date: | 2018-06-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Potent Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT) Featuring a Spirocyclic Scaffold ChemMedChem, 13, 2018
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3MIJ
| Crystal structure of a telomeric RNA G-quadruplex complexed with an acridine-based ligand. | Descriptor: | N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide], POTASSIUM ION, RNA (5'-R(*UP*AP*GP*GP*GP*UP*UP*AP*GP*GP*GP*U)-3') | Authors: | Collie, G.W, Neidle, S, Parkinson, G.N. | Deposit date: | 2010-04-10 | Release date: | 2011-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of telomeric RNA quadruplex-acridine ligand recognition. J.Am.Chem.Soc., 133, 2011
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6BBV
| Crystal Structure of JAK2 in complex with compound 25 | Descriptor: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK2 | Authors: | Han, S. | Deposit date: | 2017-10-19 | Release date: | 2018-01-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases. J. Med. Chem., 61, 2018
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