4KPV
| Crystal structure of the complex of ribosome inactivating protein from Momordica balsamina with Pyrimidine-2,4(1H,3H)-dione at 2.57 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, URACIL, rRNA N-glycosidase | Authors: | Yamini, S, Pandey, S, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-05-14 | Release date: | 2013-05-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Crystal structure of the complex of ribosome inactivating protein from Momordica balsamina with Pyrimidine-2,4(1H,3H)-dione at 2.57 A resolution To be Published
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5WQF
| Structure of fungal meroterpenoid isomerase Trt14 | Descriptor: | CALCIUM ION, Isomerase trt14, N-PROPANOL | Authors: | Mori, T, Iwabuchi, T, Matsuda, Y, Abe, I. | Deposit date: | 2016-11-26 | Release date: | 2017-07-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Molecular basis for the unusual ring reconstruction in fungal meroterpenoid biogenesis Nat. Chem. Biol., 13, 2017
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5WPB
| Crystal structure of fragment 3-(3-(pyridin-2-ylmethoxy)quinoxalin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Tempel, W, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-08-04 | Release date: | 2017-08-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin. J. Med. Chem., 60, 2017
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3RDE
| Crystal structure of the catalytic domain of porcine leukocyte 12-lipoxygenase | Descriptor: | 3-{4-[(tridec-2-yn-1-yloxy)methyl]phenyl}propanoic acid, Arachidonate 12-lipoxygenase, 12S-type, ... | Authors: | Funk, M.O, Xu, S, Marnett, L.J, Mueser, T.C. | Deposit date: | 2011-04-01 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | Crystal structure of 12-lipoxygenase catalytic-domain-inhibitor complex identifies a substrate-binding channel for catalysis. Structure, 20, 2012
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4KMG
| Crystal structure of cytochrome c6B from Synechococcus sp. WH8102 | Descriptor: | Cytochrome C6 (Soluble cytochrome F) (Cytochrome c553), HEME C, SODIUM ION | Authors: | Zatwarnicki, P, Krzywda, S, Barciszewski, J, Jaskolski, M, Szczepaniak, A. | Deposit date: | 2013-05-08 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Cytochrome c6B of Synechococcus sp. WH 8102 - Crystal structure and basic properties of novel c6-like family representative. Biochem.Biophys.Res.Commun., 443, 2014
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4GR6
| Crystal structure of AtRbcX2 from Arabidopsis thaliana | Descriptor: | 1,2-ETHANEDIOL, AtRbcX2 | Authors: | Grudnik, P, Golik, P, Kolesinski, P, Dubin, G, Szczepaniak, A. | Deposit date: | 2012-08-24 | Release date: | 2013-01-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights into eukaryotic Rubisco assembly - Crystal structures of RbcX chaperones from Arabidopsis thaliana. Biochim.Biophys.Acta, 1830, 2013
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7MM7
| Crystal structure of HCV NS3/4A protease in complex with NR02-23 | Descriptor: | (2S)-1,1,1-trifluoropropan-2-yl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3/4a protease, ... | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2021-04-29 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.862 Å) | Cite: | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7MMI
| Crystal structure of HCV NS3/4A D168A protease in complex with NR02-23 | Descriptor: | (2S)-1,1,1-trifluoropropan-2-yl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, NS3/4A protease, ZINC ION | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2021-04-29 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7MML
| Crystal structure of HCV NS3/4A D168A protease in complex with NR01-145 | Descriptor: | (2R)-1,1,1-trifluoropropan-2-yl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, NS3 protease, SULFATE ION, ... | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2021-04-29 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7MMA
| Crystal structure of HCV NS3/4A protease in complex with NR01-145 | Descriptor: | (2R)-1,1,1-trifluoropropan-2-yl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3 protease, ... | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2021-04-29 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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4GSD
| H5.3 Fab Structure | Descriptor: | H5.3 Fab Heavy Chain, H5.3 Fab Light Chain | Authors: | Spiller, B.W, Winarski, K.L. | Deposit date: | 2012-08-27 | Release date: | 2013-08-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Human antibodies that neutralize respiratory droplet transmissible H5N1 influenza viruses. J.Clin.Invest., 123, 2013
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3Q20
| Crystal structure of RbcX C103A mutant from Thermosynechococcus elongatus | Descriptor: | ACETATE ION, HEXANE-1,6-DIOL, RbcX protein | Authors: | Tarnawski, M, Krzywda, S, Szczepaniak, A, Jaskolski, M. | Deposit date: | 2010-12-19 | Release date: | 2011-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structure of the RuBisCO chaperone RbcX from the thermophilic cyanobacterium Thermosynechococcus elongatus Acta Crystallogr.,Sect.F, 67, 2011
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1PWU
| Crystal Structure of Anthrax Lethal Factor complexed with (3-(N-hydroxycarboxamido)-2-isobutylpropanoyl-Trp-methylamide), a known small molecule inhibitor of matrix metalloproteases. | Descriptor: | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE, Lethal factor, ZINC ION | Authors: | Wong, T.Y, Schwarzenbacher, R, Liddington, R.C. | Deposit date: | 2003-07-02 | Release date: | 2004-02-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The structural basis for substrate and inhibitor selectivity of the anthrax lethal factor. Nat.Struct.Mol.Biol., 11, 2004
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5T88
| Prolyl oligopeptidase from Pyrococcus furiosus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, PROLINE, ... | Authors: | Ellis-Guardiola, K, Lewis, J, Sukumar, N. | Deposit date: | 2016-09-06 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Crystal Structure and Conformational Dynamics of Pyrococcus furiosus Prolyl Oligopeptidase. Biochemistry, 58, 2019
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3OC5
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3LKH
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3QE2
| Crystal Structure of Human NADPH-Cytochrome P450 Reductase | Descriptor: | CALCIUM ION, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Xia, C, Marohnic, C, Panda, S.P, Masters, B.S, Kim, J.-J.P. | Deposit date: | 2011-01-19 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for human NADPH-cytochrome P450 oxidoreductase deficiency. Proc.Natl.Acad.Sci.USA, 108, 2011
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3QFT
| Crystal Structure of NADPH-Cytochrome P450 Reductase (FAD/NADPH domain and R457H Mutant) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH--cytochrome P450 reductase | Authors: | Xia, C, Marohnic, C, Panda, S.P, Masters, B.S, Kim, J.-J.P. | Deposit date: | 2011-01-22 | Release date: | 2011-08-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis for human NADPH-cytochrome P450 oxidoreductase deficiency. Proc.Natl.Acad.Sci.USA, 108, 2011
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3UH8
| N-terminal domain of phage TP901-1 ORF48 | Descriptor: | ORF48 | Authors: | Veesler, D, Spinelli, S, Mahony, J, Lichiere, J, Blangy, S, Bricogne, G, Legrand, P, Ortiz-Lombardia, M, Campanacci, V.I, van Sinderen, D, Cambillau, C. | Deposit date: | 2011-11-03 | Release date: | 2012-05-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the phage TP901-1 1.8 MDa baseplate suggests an alternative host adhesion mechanism. Proc.Natl.Acad.Sci.USA, 109, 2012
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3P4A
| 2'Fluoro modified RNA octamer fA2U2 | Descriptor: | 2'Fluoro modified RNA 8-MER, MAGNESIUM ION, STRONTIUM ION | Authors: | Manoharan, M, Akinc, A, Pandey, R.K, Qin, J, Hadwiger, P, John, M, Mills, K, Charisse, K, Maier, M.A, Nechev, L, Greene, E.M, Pallan, P.S, Rozners, E, Rajeev, K.G, Egli, M. | Deposit date: | 2010-10-06 | Release date: | 2011-01-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Unexpected origins of the enhanced pairing affinity of 2'-fluoro-modified RNA. Nucleic Acids Res., 39, 2011
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1R3J
| potassium channel KcsA-Fab complex in high concentration of Tl+ | Descriptor: | Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, DIACYL GLYCEROL, ... | Authors: | Zhou, Y, MacKinnon, R. | Deposit date: | 2003-10-02 | Release date: | 2003-11-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The occupancy of ions in the K+ selectivity filter: Charge balance and coupling of ion binding to a protein conformational change underlie high conduction rates J.Mol.Biol., 333, 2003
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3OS2
| PFV target capture complex (TCC) at 3.32 A resolution | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*CP*CP*CP*GP*AP*GP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*CP*TP*CP*GP*GP*G)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | Authors: | Maertens, G.N, Hare, S, Cherepanov, P. | Deposit date: | 2010-09-08 | Release date: | 2010-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | The mechanism of retroviral integration from X-ray structures of its key intermediates Nature, 468, 2010
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3QFC
| Crystal Structure of Human NADPH-Cytochrome P450 (V492E mutant) | Descriptor: | CALCIUM ION, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Xia, C, Marohnic, C, Panda, S.P, Masters, B.S, Kim, J.-J.P. | Deposit date: | 2011-01-21 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for human NADPH-cytochrome P450 oxidoreductase deficiency. Proc.Natl.Acad.Sci.USA, 108, 2011
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3QFV
| MRCK beta in complex with TPCA-1 | Descriptor: | 1,2-ETHANEDIOL, 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide, CDC42BPB protein, ... | Authors: | Heikkila, T.J, Wheatley, E, Crighton, D, Schroder, E, Boakes, A, Kaye, S.J, Mezna, M, Pang, L, Rushbrooke, M, Turnbull, A, Olson, M.F. | Deposit date: | 2011-01-23 | Release date: | 2011-10-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Co-crystal structures of inhibitors with MRCK beta , a key regulator of tumor cell invasion. Plos One, 6, 2011
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3QBA
| Reintroducing Electrostatics into Macromolecular Crystallographic Refinement: Z-DNA (X-ray) | Descriptor: | Z-DNA | Authors: | Fenn, T.D, Schnieders, M.J, Mustyakimov, M, Wu, C, Langan, P, Pande, V.S, Brunger, A.T. | Deposit date: | 2011-01-12 | Release date: | 2011-03-02 | Last modified: | 2024-02-21 | Method: | NEUTRON DIFFRACTION (1.53 Å), X-RAY DIFFRACTION | Cite: | Reintroducing electrostatics into macromolecular crystallographic refinement: application to neutron crystallography and DNA hydration. Structure, 19, 2011
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