1JRZ
 
 | | Crystal structure of Arg402Tyr mutant flavocytochrome c3 from Shewanella frigidimarina | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C, FUMARIC ACID, ... | | Authors: | Mowat, C.G, Moysey, R, Miles, C.S, Leys, D, Doherty, M.K, Taylor, P, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | | Deposit date: | 2001-08-15 | | Release date: | 2001-11-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinetic and crystallographic analysis of the key active site acid/base arginine in a soluble fumarate reductase.
Biochemistry, 40, 2001
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8PHE
 | | ACAD9-WT in complex with ECSIT-CTER | | Descriptor: | Complex I assembly factor ACAD9, mitochondrial, Evolutionarily conserved signaling intermediate in Toll pathway | | Authors: | McGregor, L, Acajjaoui, S, Desfosses, A, Saidi, M, Bacia-Verloop, M, Schwarz, J.J, Juyoux, P, Von Velsen, J, Bowler, M.W, McCarthy, A, Kandiah, E, Gutsche, I, Soler-Lopez, M. | | Deposit date: | 2023-06-19 | | Release date: | 2024-01-24 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The assembly of the Mitochondrial Complex I Assembly complex uncovers a redox pathway coordination.
Nat Commun, 14, 2023
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8PHF
 | | Cryo-EM structure of human ACAD9-S191A | | Descriptor: | Complex I assembly factor ACAD9, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | McGregor, L, Acajjaoui, S, Desfosses, A, Saidi, M, Bacia-Verloop, M, Schwarz, J.J, Juyoux, P, Von Velsen, J, Bowler, M.W, McCarthy, A, Kandiah, E, Gutsche, I, Soler-Lopez, M. | | Deposit date: | 2023-06-19 | | Release date: | 2024-01-24 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The assembly of the Mitochondrial Complex I Assembly complex uncovers a redox pathway coordination.
Nat Commun, 14, 2023
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8PLM
 | | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 23. | | Descriptor: | 1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one, 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 (1.95 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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2UUM
 | | Crystal structure of C-phycocyanin from Phormidium, Lyngbya spp. (Marine) and Spirulina sp. (Fresh water) shows two different ways of energy transfer between two hexamers. | | Descriptor: | BILIVERDINE IX ALPHA, C-PHYCOCYANIN ALPHA CHAIN, C-PHYCOCYANIN BETA CHAIN, ... | | Authors: | Satyanarayana, L, Patel, A, Mishra, S, K Ghosh, P, Suresh, C.G. | | Deposit date: | 2007-03-04 | | Release date: | 2008-05-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of C-Phycocyanin from Phormidium, Lyngbya Spp. (Marine) and Spirulina Sp. (Fresh Water) Shows Two Different Ways of Energy Transfer between Two Hexamers.
To be Published
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1XCD
 | | Dimeric bovine tissue-extracted decorin, crystal form 1 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Decorin | | Authors: | Scott, P.G, McEwan, P.A, Dodd, C.M, Bergmann, E.M, Bishop, P.N, Bella, J. | | Deposit date: | 2004-09-01 | | Release date: | 2004-11-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystal structure of the dimeric protein core of decorin, the archetypal small leucine-rich repeat proteoglycan
Proc.Natl.Acad.Sci.Usa, 101, 2004
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8PL6
 | | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 7. | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate | | 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 (1.81 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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1XCI
 | | Mispair Aligned N3T-Butyl-N3T Interstrand Crosslink | | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*(TTM)P*TP*TP*TP*CP*G)-3' | | Authors: | da Silva, M.W, Bierbryer, R.G, Wilds, C.J, Noronha, A.M, Colvin, O.M, Miller, P.S, Gamcsik, M.P. | | Deposit date: | 2004-09-02 | | Release date: | 2005-08-16 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Intrastrand base-stacking buttresses widening of major groove in interstrand cross-linked B-DNA.
Bioorg.Med.Chem., 13, 2005
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4D2V
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-13 | | Release date: | 2014-10-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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8PL8
 | | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 9. | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide | | 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 (2.35 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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4HQJ
 | | Crystal structure of Na+,K+-ATPase in the Na+-bound state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHOLESTEROL, MAGNESIUM ION, ... | | Authors: | Nyblom, M, Reinhard, L, Gourdon, P, Nissen, P. | | Deposit date: | 2012-10-25 | | Release date: | 2013-10-02 | | Last modified: | 2014-09-10 | | Method: | X-RAY DIFFRACTION (4.3 Å) | | Cite: | Crystal structure of Na+, K(+)-ATPase in the Na(+)-bound state.
Science, 342, 2013
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6IX6
 | | Crystal structure of the complex of peptidyl-tRNA hydrolase with N-propanol at 1.43 A resolution | | Descriptor: | N-PROPANOL, Peptidyl-tRNA hydrolase | | Authors: | Viswanathan, V, Sharma, P, Chaudhary, A, Sharma, S, Singh, T.P. | | Deposit date: | 2018-12-09 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Crystal structure of the complex of peptidyl-tRNA hydrolase with N-propanol at 1.43 A resolution
To Be Published
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1NLC
 | | HIV-1 DIS(Mal) duplex Zn-soaked | | Descriptor: | HIV-1 DIS(MAL) genomic RNA, ZINC ION | | Authors: | Ennifar, E, Walter, P, Dumas, P. | | Deposit date: | 2003-01-07 | | Release date: | 2003-05-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A crystallographic study of the binding of 13 metal ions to two related RNA duplexes.
Nucleic Acids Res., 31, 2003
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4CQ9
 | | Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with IDI-6253 | | Descriptor: | 6-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine, DIHYDROOROTATE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Rowland, P. | | Deposit date: | 2014-02-12 | | Release date: | 2014-04-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | In Vitro Resistance Selections for Plasmodium Falciparum Dihydroorotate Dehydrogenase Inhibitors Give Mutants with Multiple Point Mutations in the Drug-Binding Site and Altered Growth.
J.Biol.Chem., 289, 2014
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8PTL
 | | human PHOX2B C-terminal domain including the polyA fragment at 278K | | Descriptor: | Paired mesoderm homeobox protein 2B | | Authors: | Anton, R, Trevino, M.A, Pantoja-Uceda, D, Felix, S, Babu, M, Cabrita, E.J, Zweckstetter, M, Tinnefeld, P, Vera, A.M, Oroz, J. | | Deposit date: | 2023-07-14 | | Release date: | 2024-03-13 | | Method: | SOLUTION NMR | | Cite: | Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions.
Nat Commun, 15, 2024
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8A0K
 | | crystal structure of the kinetoplastid kinetochore protein Trypanosoma brucei KKT3 Divergent Polo-Box domain | | Descriptor: | DI(HYDROXYETHYL)ETHER, Protein kinase, putative | | Authors: | Ishii, M, Ludzia, P, Marciano, G, Allen, W, Nerusheva, O.O, Akiyoshi, B. | | Deposit date: | 2022-05-27 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Divergent polo boxes in KKT2 bind KKT1 to initiate the kinetochore assembly cascade in Trypanosoma brucei.
Mol.Biol.Cell, 33, 2022
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8A0J
 | | Crystal structure of the kinetoplastid kinetochore protein Trypanosoma congolense KKT2 divergent polo-box domain | | Descriptor: | Uncharacterized protein TCIL3000_11_11110 | | Authors: | Ishii, M, Ludzia, P, Marciano, G, Allen, W, Nerusheva, O, Akiyoshi, B. | | Deposit date: | 2022-05-27 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Divergent polo boxes in KKT2 bind KKT1 to initiate the kinetochore assembly cascade in Trypanosoma brucei.
Mol.Biol.Cell, 33, 2022
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8PUI
 | | human PHOX2B C-terminal domain including the polyA fragment at 298K | | Descriptor: | Paired mesoderm homeobox protein 2B | | Authors: | Anton, R, Trevino, M.A, Pantoja-Uceda, D, Felix, S, Babu, M, Cabrita, E.J, Zweckstetter, M, Tinnefeld, P, Vera, A.M, Oroz, J. | | Deposit date: | 2023-07-17 | | Release date: | 2024-03-13 | | Method: | SOLUTION NMR | | Cite: | Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions.
Nat Commun, 15, 2024
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5UDV
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with iron | | Descriptor: | FE (III) ION, Lactate racemization operon protein LarE, PHOSPHATE ION, ... | | Authors: | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | | Deposit date: | 2016-12-28 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.621 Å) | | Cite: | Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6JBF
 | | Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neamine analog (axial 4'-F) | | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | | Authors: | Kanazawa, H, Auffinger, P, Hanessian, S, Kondo, J. | | Deposit date: | 2019-01-25 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neamine analog (axial 4'-F)
To Be Published
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8POK
 | | Cryo-EM structure of cell-free synthesized human histamine H2 receptor coupled to heterotrimeric Gs protein in lipid environment | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, HISTAMINE, ... | | Authors: | Schnelle, K, Koeck, Z, Persechino, M, Umbach, S, Schihada, H, Januliene, D, Parey, K, Pockes, S, Kolb, P, Doetsch, V, Moeller, A, Hilger, D, Bernhard, F. | | Deposit date: | 2023-07-05 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structure of cell-free synthesized human histamine 2 receptor/G s complex in nanodisc environment.
Nat Commun, 15, 2024
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2VFG
 | | Crystal structure of the F96H mutant of Plasmodium falciparum triosephosphate isomerase with 3-phosphoglycerate bound at the dimer interface | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, TRIOSEPHOSPHATE ISOMERASE | | Authors: | Gayathri, P, Banerjee, M, Vijayalakshmi, A, Balaram, H, Balaram, P, Murthy, M.R.N. | | Deposit date: | 2007-11-04 | | Release date: | 2008-12-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Biochemical and Structural Characterization of Residue 96 Mutants of Plasmodium Falciparum Triosephosphate Isomerase: Active-Site Loop Conformation, Hydration and Identification of a Dimer-Interface Ligand-Binding Site.
Acta Crystallogr.,Sect.D, 65, 2009
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5UDQ
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, apo form | | Descriptor: | Lactate racemization operon protein LarE, PHOSPHATE ION, SULFATE ION | | Authors: | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | | Deposit date: | 2016-12-28 | | Release date: | 2017-08-23 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5TQ4
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7KL9
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