8VI2
 
 | | TehA from Haemophilus influenzae purified in DDM | | Descriptor: | Tellurite resistance protein TehA homolog | | Authors: | Catalano, C, Senko, S, Tran, N.L, Lucier, K.W, Farwell, A.C, Silva, M.S, Dip, P.V, Poweleit, N, Scapin, G. | | Deposit date: | 2024-01-03 | | Release date: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | High-Resolution Cryo-Electron Microscopy Structure Determination of Haemophilus influenzae Tellurite-Resistance Protein A via 200 kV Transmission Electron Microscopy.
Int J Mol Sci, 25, 2024
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4P9M
 | | Crystal structure of 8ANC195 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 Fab heavy chain, 8ANC195 light chain | | Authors: | Scharf, L, Bjorkman, P.J. | | Deposit date: | 2014-04-04 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Antibody 8ANC195 Reveals a Site of Broad Vulnerability on the HIV-1 Envelope Spike.
Cell Rep, 7, 2014
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4CL2
 | | structure of periplasmic metal binding protein from candidatus liberibacter asiaticus | | Descriptor: | ACETATE ION, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Sharma, N, Selvakumar, P, Bhose, S, Ghosh, D.K, Kumar, P, Sharma, A.K. | | Deposit date: | 2014-01-11 | | Release date: | 2015-01-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Crystal Structure of a Periplasmic Solute Binding Protein in Metal-Free, Intermediate and Metal-Bound States from Candidatus Liberibacter Asiaticus.
J.Struct.Biol., 189, 2015
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1PXJ
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamine | | Descriptor: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE, Cell division protein kinase 2 | | Authors: | Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. | | Deposit date: | 2003-07-04 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop
Structure, 11, 2003
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8PLH
 | | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 18. | | Descriptor: | 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | | Deposit date: | 2023-06-27 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
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6JFJ
 | | Crystal structure of Pullulanase from Paenibacillus barengoltzii complex with maltohexaose and alpha-cyclodextrin | | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wu, S.W, Yang, S.Q, Qin, Z, You, X, Huang, P, Jiang, Z.Q. | | Deposit date: | 2019-02-09 | | Release date: | 2019-02-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.932 Å) | | Cite: | Structural basis of carbohydrate binding in domain C of a type I pullulanase from Paenibacillus barengoltzii.
Acta Crystallogr D Struct Biol, 76, 2020
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4CJ2
 | | Crystal structure of HEWL in complex with affitin H4 | | Descriptor: | AFFITIN H4, GLYCEROL, LYSOZYME C | | Authors: | Correa, A, Pacheco, S, Mechaly, A.E, Obal, G, Behar, G, Mouratou, B, Oppezzo, P, Alzari, P.M, Pecorari, F. | | Deposit date: | 2013-12-18 | | Release date: | 2014-05-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Potent and Specific Inhibition of Glycosidases by Small Artificial Binding Proteins (Affitins)
Plos One, 9, 2014
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1GHL
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8PLN
 | | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 24. | | Descriptor: | 6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | | Deposit date: | 2023-06-27 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
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4P18
 | | Crystal Structure of frog M ferritin mutant D80K | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Ghini, V, Turano, P. | | Deposit date: | 2014-02-25 | | Release date: | 2014-10-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Loop electrostatics modulates the intersubunit interactions in ferritin.
Acs Chem.Biol., 9, 2014
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4CG9
 | | Human choline kinase a1 in complex with compound 12 | | Descriptor: | CHOLINE KINASE ALPHA, N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine | | Authors: | Rubio-Ruiz, B, Figuerola-Conchas, A, Ramos-Torrecillas, J, Capitan-Canadas, F, Rios-Marco, P, Carrasco, M.P, Gallo, M.A, Espinosa, A, Marco, C, Concepcion, C, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A. | | Deposit date: | 2013-11-21 | | Release date: | 2014-01-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives
J.Med.Chem., 57, 2014
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7JV9
 | | Human CD73 (ecto 5'-nucleotidase) in complex with compound 12 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, 6-chloro-N-[(2-chlorophenyl)methyl]-1-[5-O-(phosphonomethyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ... | | Authors: | Gibbons, P, Du, X. | | Deposit date: | 2020-08-20 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production.
J.Med.Chem., 63, 2020
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8PLL
 | | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 22. | | Descriptor: | 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | | Deposit date: | 2023-06-27 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
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3HQO
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5V53
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3CQP
 | | Human SOD1 G85R Variant, Structure I | | Descriptor: | COPPER (II) ION, MALONATE ION, Superoxide dismutase [Cu-Zn], ... | | Authors: | Cao, X, Antonyuk, S, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Valentine, J.S, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Hasnain, S.S, Hart, P.J. | | Deposit date: | 2008-04-03 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of the G85R Variant of SOD1 in Familial Amyotrophic Lateral Sclerosis.
J.Biol.Chem., 283, 2008
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2BNR
 | | Structural and kinetic basis for heightened immunogenicity of T cell vaccines | | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, SYNTHETIC PEPTIDE, ... | | Authors: | Chen, J.-L, Stewart-Jones, G, Bossi, G, Lissin, N.M, Wooldridge, L, Choi, E.M.L, Held, G, Dunbar, P.R, Esnouf, R.M, Sami, M, Boultier, J.M, Rizkallah, P.J, Renner, C, Sewell, A, van der Merwe, P.A, Jackobsen, B.K, Griffiths, G, Jones, E.Y, Cerundolo, V. | | Deposit date: | 2005-03-31 | | Release date: | 2005-05-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Kinetic Basis for Heightened Immunogenicity of T Cell Vaccines
J.Exp.Med., 201, 2005
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8PS0
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4CIM
 | | Complex of a Bcl-w BH3 mutant with a BH3 domain | | Descriptor: | 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 2 | | Authors: | Colman, P.M, Lee, E.F, Fairlie, W.D. | | Deposit date: | 2013-12-12 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains
J.Biol.Chem., 289, 2014
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4CJ1
 | | Crystal structure of CelD in complex with affitin H3 | | Descriptor: | CALCIUM ION, ENDOGLUCANASE D, GLYCEROL, ... | | Authors: | Correa, A, Pacheco, S, Mechaly, A.E, Obal, G, Behar, G, Mouratou, B, Oppezzo, P, Alzari, P.M, Pecorari, F. | | Deposit date: | 2013-12-18 | | Release date: | 2014-05-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Potent and Specific Inhibition of Glycosidases by Small Artificial Binding Proteins (Affitins)
Plos One, 9, 2014
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1PTJ
 | | Crystal structure analysis of the DI and DIII complex of transhydrogenase with a thio-nicotinamide nucleotide analogue | | Descriptor: | GLYCEROL, NAD(P) transhydrogenase subunit alpha part 1, NAD(P) transhydrogenase subunit beta, ... | | Authors: | Singh, A, Venning, J.D, Quirk, P.G, van Boxel, G.I, Rodrigues, D.J, White, S.A, Jackson, J.B. | | Deposit date: | 2003-06-23 | | Release date: | 2003-10-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Interactions between transhydrogenase and thio-nicotinamide analogues of NAD(H) and NADP(H) underline the importance of nucleotide conformational changes in coupling to proton translocation
J.Biol.Chem., 278, 2003
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4CGA
 | | Human choline kinase a1 in complex with compound 5 | | Descriptor: | CHOLINE KINASE ALPHA, N,N-dimethyl-1-[[4-(2-phenylethyl)phenyl]methyl]pyridin-1-ium-4-amine | | Authors: | Rubio-Ruiz, B, Figuerola-Conchas, A, Ramos-Torrecillas, J, Capitan-Canadas, F, Rios-Marco, P, Carrasco, M.P, Gallo, M.A, Espinosa, A, Marco, C, Concepcion, C, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A. | | Deposit date: | 2013-11-21 | | Release date: | 2014-01-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives
J.Med.Chem., 57, 2014
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3S4G
 | | Low Resolution Structure of STNV complexed with RNA | | Descriptor: | Capsid protein, RNA (5'-R(P*AP*AP*A)-3'), RNA (5'-R(P*UP*UP*UP*U)-3') | | Authors: | Lane, S.W, Dennis, C.A, Lane, C.L, Trinh, C.H, Rizkallah, P.J, Stockley, P.G, Phillips, S.E.V. | | Deposit date: | 2011-05-19 | | Release date: | 2011-08-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (6 Å) | | Cite: | Construction and crystal structure of recombinant STNV capsids.
J.Mol.Biol., 413, 2011
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5EFD
 | | Crystal structure of a surface pocket creating mutant (W6A) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27 | | Descriptor: | 1,2-ETHANEDIOL, Beta-xylanase, CHLORIDE ION, ... | | Authors: | Mahanta, P, Bhardwaj, A, Reddy, V.S, Ramakumar, S. | | Deposit date: | 2015-10-23 | | Release date: | 2016-10-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.674 Å) | | Cite: | Small Glycols Discover Cryptic Pockets on Proteins for Fragment-Based Approaches.
J.Chem.Inf.Model., 2021
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1YCE
 | | Structure of the rotor ring of F-type Na+-ATPase from Ilyobacter tartaricus | | Descriptor: | NONAN-1-OL, SODIUM ION, subunit c | | Authors: | Meier, T, Polzer, P, Diederichs, K, Welte, W, Dimroth, P. | | Deposit date: | 2004-12-22 | | Release date: | 2005-04-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the rotor ring of F-Type Na+-ATPase from Ilyobacter tartaricus.
Science, 308, 2005
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