1Y65
 
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1Y6E
 | | Orthorhombic glutathione S-transferase of Schistosoma japonicum | | Descriptor: | glutathione S-transferase | | Authors: | Rufer, A.C, Thiebach, L, Baer, K, Klein, H.W, Hennig, M. | | Deposit date: | 2004-12-06 | | Release date: | 2005-03-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | X-ray structure of glutathione S-transferase from Schistosoma japonicum in a new crystal form reveals flexibility of the substrate-binding site
Acta Crystallogr.,Sect.F, 61, 2005
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7LTJ
 | | Room-temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with a non-covalent inhibitor Mcule-5948770040 | | Descriptor: | 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2021-02-19 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor.
J.Chem.Inf.Model., 62, 2022
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5EP6
 | | The crystal structure of NAP1 in complex with TBK1 | | Descriptor: | 5-azacytidine-induced protein 2, GLYCEROL, Serine/threonine-protein kinase TBK1 | | Authors: | Li, F, Xie, X, Liu, J, Pan, L. | | Deposit date: | 2015-11-11 | | Release date: | 2016-09-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins.
Nat Commun, 7, 2016
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1UZV
 | | High affinity fucose binding of Pseudomonas aeruginosa lectin II: 1.0 A crystal structure of the complex | | Descriptor: | CALCIUM ION, PSEUDOMONAS AERUGINOSA LECTIN II, SULFATE ION, ... | | Authors: | Mitchell, E, Sabin, C.D, Snajdrova, L, Budova, M, Perret, S, Gautier, C, Gilboa-Garber, N, Koca, J, Wimmerova, M, Imberty, A. | | Deposit date: | 2004-03-17 | | Release date: | 2004-12-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin Pa-Iil: 1.0 A Resolution Crystal Structure of the Complex Combined with Thermodynamics and Computational Chemistry Approaches.
Proteins, 58, 2005
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6D0T
 | | De novo design of a fluorescence-activating beta barrel - BB1 | | Descriptor: | BB1 | | Authors: | Dou, J, Vorobieva, A.A, Sheffler, W, Doyle, L.A, Park, H, Bick, M.J, Mao, B, Foight, G.W, Lee, M, Carter, L, Sankaran, B, Ovchinnikov, S, Marcos, E, Huang, P, Vaughan, J.C, Stoddard, B.L, Baker, D. | | Deposit date: | 2018-04-10 | | Release date: | 2018-09-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
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1Y81
 | | Conserved hypothetical protein Pfu-723267-001 from Pyrococcus furiosus | | Descriptor: | COENZYME A, THIOCYANATE ION, UNKNOWN ATOM OR ION, ... | | Authors: | Zhao, M, Chang, J, Habel, J, Xu, H, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Horanyi, P, Florence, Q, Tempel, W, Zhou, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-12-10 | | Release date: | 2005-01-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Conserved hypothetical protein Pfu-723267-001 from Pyrococcus furiosus
To be published
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6CSB
 | | V308E mutant of cytochrome P450 2D6 complexed with thioridazine | | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, ACETATE ION, Cytochrome P450 2D6, ... | | Authors: | Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L. | | Deposit date: | 2018-03-20 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.394 Å) | | Cite: | Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding
To Be Published
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6D1R
 | | Structure of Staphylococcus aureus RNase P protein at 2.0 angstrom | | Descriptor: | Ribonuclease P protein component | | Authors: | Ha, L, Colquhoun, J, Noinaj, N, Das, C, Dunman, P, Flaherty, D.P. | | Deposit date: | 2018-04-12 | | Release date: | 2018-09-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.995 Å) | | Cite: | Crystal structure of the ribonuclease-P-protein subunit from Staphylococcus aureus.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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8P5O
 | | Proline activating adenylation domain of gramicidin S synthetase 2 - GrsB1-Acore | | Descriptor: | Gramicidin S synthase 2 | | Authors: | Stephan, P, Basquin, J, Caputi, L, O'Connor, S.E, Kries, H. | | Deposit date: | 2023-05-24 | | Release date: | 2023-07-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Directed Evolution of Piperazic Acid Incorporation by a Nonribosomal Peptide Synthetase.
Angew.Chem.Int.Ed.Engl., 62, 2023
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1YD4
 | | Crystal structure of the GIY-YIG N-terminal endonuclease domain of UvrC from Thermotoga maritima: Point mutant Y29F bound to its catalytic divalent cation | | Descriptor: | MANGANESE (II) ION, UvrABC system protein C | | Authors: | Truglio, J.J, Rhau, B, Croteau, D.L, Wang, L, Skorvaga, M, Karakas, E, DellaVecchia, M.J, Wang, H, Van Houten, B, Kisker, C. | | Deposit date: | 2004-12-23 | | Release date: | 2005-03-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights into the first incision reaction during nucleotide excision repair
Embo J., 24, 2005
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1XW6
 | | 1.9 angstrom resolution structure of human glutathione S-transferase M1A-1A complexed with glutathione | | Descriptor: | GLUTATHIONE, Glutathione S-transferase Mu 1 | | Authors: | Patskovsky, Y, Patskovska, L, Almo, S.C, Listowsky, I. | | Deposit date: | 2004-10-29 | | Release date: | 2004-12-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Transition state model and mechanism of nucleophilic aromatic substitution reactions catalyzed by human glutathione S-transferase M1a-1a.
Biochemistry, 45, 2006
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1XX6
 | | X-ray structure of Clostridium acetobutylicum thymidine kinase with ADP. Northeast Structural Genomics Target CAR26. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Thymidine kinase, ZINC ION | | Authors: | Kuzin, A.P, Abashidze, M, Forouhar, F, Vorobiev, S.M, Acton, T.B, Ma, L.-C, Xiao, R, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-11-04 | | Release date: | 2004-12-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray structure of Clostridium acetobutylicum thymidine kinase with ADP. Northeast Structural Genomics Target CAR26.
To be Published
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1XXD
 | | Crystal Structure of the FXIa Catalytic Domain in Complex with mutated Ecotin | | Descriptor: | Coagulation factor XI, Ecotin | | Authors: | Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | | Deposit date: | 2004-11-04 | | Release date: | 2004-11-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions
J.Biol.Chem., 280, 2005
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5E83
 | | CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT440, CO-CRYSTALLIZATION EXPERIMENT | | Descriptor: | 2-methyl-3-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol, CARBON MONOXIDE, GLYCEROL, ... | | Authors: | Patskovska, L, Patskovsky, Y, Bonanno, J.B, Almo, S.C. | | Deposit date: | 2015-10-13 | | Release date: | 2016-07-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | GBT440 increases haemoglobin oxygen affinity, reduces sickling and prolongs RBC half-life in a murine model of sickle cell disease.
Br.J.Haematol., 175, 2016
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6CYU
 | | Crystal structure of CTX-M-14 S70G/N106S/D240G beta-lactamase in complex with hydrolyzed cefotaxime | | Descriptor: | (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase | | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2018-04-06 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance.
J. Biol. Chem., 293, 2018
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1XP4
 | | Crystal structure of a peptidoglycan synthesis regulatory factor (PBP3) from Streptococcus pneumoniae | | Descriptor: | D-alanyl-D-alanine carboxypeptidase, IODIDE ION, SULFATE ION | | Authors: | Morlot, C, Pernot, L, Le Gouellec, A, Di Guilmi, A.M, Vernet, T, Dideberg, O, Dessen, A. | | Deposit date: | 2004-10-08 | | Release date: | 2004-11-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of a peptidoglycan synthesis regulatory factor (PBP3) from Streptococcus pneumoniae
J.Biol.Chem., 280, 2005
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5DN8
 | | 1.76 Angstrom Crystal Structure of GTP-binding Protein Der from Coxiella burnetii in Complex with GDP. | | Descriptor: | GTPase Der, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Minasov, G, Shuvalova, L, Han, A, Kim, H.-Y, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-09-09 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | 1.76 Angstrom Crystal Structure of GTP-binding Protein Der from Coxiella burnetii in Complex with GDP.
To Be Published
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6D27
 | | Crystal structure of the prostaglandin D2 receptor CRTH2 with CAY10471 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, OLEIC ACID, ... | | Authors: | Wang, L, Yao, D, Deepak, K, Liu, H, Gong, W, Fan, H, Wei, Z, Zhang, C. | | Deposit date: | 2018-04-13 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.738 Å) | | Cite: | Structures of the Human PGD2Receptor CRTH2 Reveal Novel Mechanisms for Ligand Recognition.
Mol. Cell, 72, 2018
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8P4F
 | | Structural insights into human co-transcriptional capping - structure 6 | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1, DNA (38-MER), ... | | Authors: | Garg, G, Dienemann, C, Farnung, L, Schwarz, J, Linden, A, Urlaub, H, Cramer, P. | | Deposit date: | 2023-05-20 | | Release date: | 2023-07-19 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural insights into human co-transcriptional capping.
Mol.Cell, 83, 2023
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1XUV
 | | X-Ray Crystal Structure of Protein MM0500 from Methanosarcina mazei. Northeast Structural Genomics Consortium Target MaR10. | | Descriptor: | hypothetical protein MM0500 | | Authors: | Forouhar, F, Abashidze, M, Ciano, M, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-10-26 | | Release date: | 2004-11-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of the Hypothetical Protein from Methanosarcina mazei, Northeast Strcutural Genomics Target MaR10
To be Published
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1UKG
 | | Pterocarps angolensis lectin PAL in complex with methyl-alpha-mannose | | Descriptor: | CALCIUM ION, MANGANESE (II) ION, lectin, ... | | Authors: | Loris, R, Van Walle, I, De Greve, H, Beeckmans, S, Deboeck, F, Wyns, L, Bouckaert, J. | | Deposit date: | 2003-08-21 | | Release date: | 2004-02-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis of Oligomannose Recognition by the Pterocarpus angolensis Seed Lectin
J.Mol.Biol., 335, 2004
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6CY9
 | | SA11 Rotavirus NSP2 with disulfide bridge | | Descriptor: | MAGNESIUM ION, Non-structural protein 2 | | Authors: | Anish, R, Hu, L, Sankaran, B, Prasad, B.V.V. | | Deposit date: | 2018-04-05 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.615 Å) | | Cite: | Phosphorylation cascade regulates the formation and maturation of rotaviral replication factories.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7CRD
 | | Structure of Pseudomonas aeruginosa OdaA | | Descriptor: | Probable enoyl-CoA hydratase/isomerase | | Authors: | Zhao, N, Zhao, C, Liu, L, Li, T, Li, C, He, L, Zhu, Y, Song, Y, Bao, R. | | Deposit date: | 2020-08-13 | | Release date: | 2020-09-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Structural and molecular dynamic studies of Pseudomonas aeruginosa OdaA reveal the regulation role of a C-terminal hinge element.
Biochim Biophys Acta Gen Subj, 1865, 2020
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5DLM
 | | Complex of Influenza M2e and Antibody | | Descriptor: | Heavy chain of monoclonal antibody, Light chain of monoclonal antibody, Matrix protein 2, ... | | Authors: | Cho, K.J, Schepens, B, Moonens, K, Deng, L, Fiers, W, Remaut, H, Saelens, X. | | Deposit date: | 2015-09-07 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the Conserved Amino Terminus of the Extracellular Domain of Matrix Protein 2 of Influenza A Virus Gripped by an Antibody.
J.Virol., 90, 2015
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