5L8K
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4QE7
| Open MthK pore structure soaked in 10 mM Ba2+/100 mM Na+ | Descriptor: | BARIUM ION, Calcium-gated potassium channel MthK | Authors: | Guo, R, Zeng, W, Cui, H, Chen, L, Ye, S. | Deposit date: | 2014-05-15 | Release date: | 2014-07-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ionic interactions of Ba2+ blockades in the MthK K+ channel J.Gen.Physiol., 144, 2014
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4QB5
| Crystal structure of a glyoxalase/bleomycin resistance protein from Albidiferax ferrireducens T118 | Descriptor: | 1,2-ETHANEDIOL, Glyoxalase/bleomycin resistance protein/dioxygenase, SULFATE ION | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-05-06 | Release date: | 2014-07-23 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of a glyoxalase/bleomycin resistance protein from Albidiferax ferrireducens T118 To be Published
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4QCA
| Crystal structure of Vaccinia virus uracil-DNA glycosylase mutant R167AD4 | Descriptor: | CHLORIDE ION, GLYCEROL, POTASSIUM ION, ... | Authors: | Sartmatova, D, Nash, T, Schormann, N, Nuth, M, Ricciardi, R, Banerjee, S, Chattopadhyay, D. | Deposit date: | 2014-05-09 | Release date: | 2015-05-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallization and preliminary X-ray diffraction analysis of three recombinant mutants of Vaccinia virus uracil DNA glycosylase. Acta Crystallogr.,Sect.F, 69, 2013
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5A39
| Structure of Rad14 in complex with cisplatin containing DNA | Descriptor: | 5'-D(*DGP*AP*TP*GP*AP*CP*CP*GP*TP*AP*GP*AP*GP)-3', 5'-D(*DTP*GP*AP*TP*GP*AP*CP*CP*GP*TP*AP*GP*AP)-3', Cisplatin, ... | Authors: | Koch, S.C, Kuper, J, Gasteiger, K.L, Wichlein, N, Strasser, R, Eisen, D, Geiger, S, Schneider, S, Kisker, C, Carell, T. | Deposit date: | 2015-05-28 | Release date: | 2015-06-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Insights Into the Recognition of Cisplatin and Aaf-Dg Lesion by Rad14 (Xpa). Proc.Natl.Acad.Sci.USA, 112, 2015
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5ABH
| Structure of GH84 with ligand | Descriptor: | 1,2-ETHANEDIOL, 2-[(2R,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ... | Authors: | Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R. | Deposit date: | 2015-08-05 | Release date: | 2015-11-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors. Angew.Chem.Int.Ed.Engl., 54, 2015
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5L5C
| Plexin A1 full extracellular region, domains 1 to 10, to 6 angstrom, spacegroup P4(3)2(1)2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-A1, ... | Authors: | Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y. | Deposit date: | 2016-05-28 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (6 Å) | Cite: | Structural Basis for Plexin Activation and Regulation. Neuron, 91, 2016
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3QXO
| CDK2 in complex with inhibitor KVR-1-84 | Descriptor: | 1,2-ETHANEDIOL, 5-nitro-2-[(4-sulfamoylbenzyl)amino]benzamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-03-02 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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4QKO
| The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms | Descriptor: | BROMIDE ION, MAGNESIUM ION, Pyocin-S2, ... | Authors: | Grinter, R, Josts, I, Roszak, A.W, Cogdell, C.J, Walker, D. | Deposit date: | 2014-06-07 | Release date: | 2015-06-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights into pyocin S2 To be Published
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5A6P
| Heavy metal associated domain of NLR-type immune receptor Pikp1 from rice (Oryza sativa) | Descriptor: | RESISTANCE PROTEIN PIKP-1 | Authors: | Maqbool, A, Saitoh, H, Franceschetti, M, Stevenson, C.E, Uemura, A, Kanzaki, H, Kamoun, S, Terauchi, R, Banfield, M.J. | Deposit date: | 2015-06-30 | Release date: | 2015-08-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of pathogen recognition by an integrated HMA domain in a plant NLR immune receptor. Elife, 4, 2015
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5L6O
| EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 3) | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 1-(4-phenylazanylquinazolin-7-yl)ethanone, Ephrin type-B receptor 3 | Authors: | Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C. | Deposit date: | 2016-05-30 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3. J.Am.Chem.Soc., 138, 2016
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7Z3S
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5AXE
| Crystal Structure Analysis of DNA Duplexes containing sulfoamide-bridged nucleic acid (SuNA-NH) | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(LSH)P*AP*CP*GP*C)-3') | Authors: | Mitsuoka, Y, Aoyama, H, Kugimiya, A, Fujimura, Y, Yamamoto, T, Waki, R, Wada, F, Tahara, S, Sawamura, M, Noda, M, Hari, Y, Obika, S. | Deposit date: | 2015-07-28 | Release date: | 2016-07-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Effect of an N-substituent in sulfonamide-bridged nucleic acid (SuNA) on hybridization ability and duplex structure. Org.Biomol.Chem., 14, 2016
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5L9K
| OCEANOBACILLUS IHEYENSIS MACRODOMAIN WITH ADPR | Descriptor: | GLYCEROL, MACROD-TYPE MACRODOMAIN, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A. | Deposit date: | 2016-06-10 | Release date: | 2017-05-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis. Open Biol, 7, 2017
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5AZ7
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5B2T
| Crystal structure of the Streptococcus pyogenes Cas9 VRER variant in complex with sgRNA and target DNA (TGCG PAM) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CRISPR-associated endonuclease Cas9, ... | Authors: | Hirano, S, Nishimasu, H, Ishitani, R, Nureki, O. | Deposit date: | 2016-02-02 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for the Altered PAM Specificities of Engineered CRISPR-Cas9 Mol.Cell, 61, 2016
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4Q28
| Crystal Structure of the Plectin 1 and 2 Repeats of the Human Periplakin. Northeast Structural Genomics Consortium (NESG) Target HR9083A | Descriptor: | Periplakin | Authors: | Vorobiev, S, Lew, S, Seetharaman, J, Janjua, H, Xiao, R, O'Connell, P.T, Maglaqui, M, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-04-07 | Release date: | 2014-06-18 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Crystal Structure of the Plectin 1 and 2 Repeats of Human Periplakin. To be Published
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5L6Q
| Refolded AL protein from cardiac amyloidosis | Descriptor: | CARBONATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Annamalai, K, Liberta, F, Vielberg, M.-T, Lilie, H, Guehrs, K.-H, Schierhorn, A, Koehler, R, Schmidt, A, Haupt, C, Hegenbart, O, Schoenland, S, Groll, M, Faendrich, M. | Deposit date: | 2016-05-31 | Release date: | 2017-05-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Common Fibril Structures Imply Systemically Conserved Protein Misfolding Pathways In Vivo. Angew. Chem. Int. Ed. Engl., 56, 2017
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5AQX
| Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | (1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5APD
| Hen Egg White Lysozyme not illuminated with 0.4THz radiation | Descriptor: | LYSOZYME C, SODIUM ION | Authors: | Lundholm, I, Rodilla, H, Wahlgren, W.Y, Duelli, A, Bourenkov, G, Vukusic, J, Friedman, R, Stake, J, Schneider, T, Katona, G. | Deposit date: | 2015-09-15 | Release date: | 2016-01-13 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Terahertz Radiation Induces Non-Thermal Structural Changes Associated with Frohlich Condensation in a Protein Crystal Struct.Dyn., 2, 2015
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5L8M
| Wild-type PAS-GAF fragment from Deinococcus radiodurans Bphp collected at LCLS | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, Bacteriophytochrome | Authors: | Claesson, E, Takala, H, Edlund, P, Henry, L, Dods, R, Schmidt, M, Westenhoff, S. | Deposit date: | 2016-06-08 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography. Sci Rep, 6, 2016
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5APM
| Multiple capsid-stabilizing protein-RNA and protein-protein interactions revealed in a high-resolution structure of an emerging picornavirus causing neonatal sepsis | Descriptor: | VP0, VP1, VP3 | Authors: | Shakeel, S, Westerhuis, B.M, Domanska, A, Koning, R.I, Matadeen, R, Koster, A.J, Bakker, A.Q, Beaumont, T, Wolthers, K.C, Butcher, S.J. | Deposit date: | 2015-09-17 | Release date: | 2016-07-27 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Multiple Capsid-Stabilizing Interactions Revealed in a High-Resolution Structure of an Emerging Picornavirus Causing Neonatal Sepsis Nat.Commun., 7, 2016
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4PZR
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5AQL
| Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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3R1Y
| CDK2 in complex with inhibitor KVR-1-134 | Descriptor: | 1,2-ETHANEDIOL, 2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-03-11 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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