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PDB: 45910 件

1JRZ
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Crystal structure of Arg402Tyr mutant flavocytochrome c3 from Shewanella frigidimarina
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C, FUMARIC ACID, ...
著者Mowat, C.G, Moysey, R, Miles, C.S, Leys, D, Doherty, M.K, Taylor, P, Walkinshaw, M.D, Reid, G.A, Chapman, S.K.
登録日2001-08-15
公開日2001-11-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinetic and crystallographic analysis of the key active site acid/base arginine in a soluble fumarate reductase.
Biochemistry, 40, 2001
8PHE
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ACAD9-WT in complex with ECSIT-CTER
分子名称: Complex I assembly factor ACAD9, mitochondrial, Evolutionarily conserved signaling intermediate in Toll pathway
著者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.
登録日2023-06-19
公開日2024-01-24
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The assembly of the Mitochondrial Complex I Assembly complex uncovers a redox pathway coordination.
Nat Commun, 14, 2023
8PHF
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Cryo-EM structure of human ACAD9-S191A
分子名称: Complex I assembly factor ACAD9, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE
著者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.
登録日2023-06-19
公開日2024-01-24
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The assembly of the Mitochondrial Complex I Assembly complex uncovers a redox pathway coordination.
Nat Commun, 14, 2023
8PLM
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Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 23.
分子名称: 1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
著者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.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
2UUM
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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.
分子名称: BILIVERDINE IX ALPHA, C-PHYCOCYANIN ALPHA CHAIN, C-PHYCOCYANIN BETA CHAIN, ...
著者Satyanarayana, L, Patel, A, Mishra, S, K Ghosh, P, Suresh, C.G.
登録日2007-03-04
公開日2008-05-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
1XCD
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Dimeric bovine tissue-extracted decorin, crystal form 1
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Decorin
著者Scott, P.G, McEwan, P.A, Dodd, C.M, Bergmann, E.M, Bishop, P.N, Bella, J.
登録日2004-09-01
公開日2004-11-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal structure of the dimeric protein core of decorin, the archetypal small leucine-rich repeat proteoglycan
Proc.Natl.Acad.Sci.Usa, 101, 2004
8PL6
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Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 7.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
著者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.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
1XCI
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Mispair Aligned N3T-Butyl-N3T Interstrand Crosslink
分子名称: 5'-D(*CP*GP*AP*AP*AP*(TTM)P*TP*TP*TP*CP*G)-3'
著者da Silva, M.W, Bierbryer, R.G, Wilds, C.J, Noronha, A.M, Colvin, O.M, Miller, P.S, Gamcsik, M.P.
登録日2004-09-02
公開日2005-08-16
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Intrastrand base-stacking buttresses widening of major groove in interstrand cross-linked B-DNA.
Bioorg.Med.Chem., 13, 2005
4D2V
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BU of 4d2v by Molmil
Structure of MELK in complex with inhibitors
分子名称: 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
著者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.
登録日2014-05-13
公開日2014-10-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
8PL8
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Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 9.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide
著者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.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
4HQJ
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Crystal structure of Na+,K+-ATPase in the Na+-bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHOLESTEROL, MAGNESIUM ION, ...
著者Nyblom, M, Reinhard, L, Gourdon, P, Nissen, P.
登録日2012-10-25
公開日2013-10-02
最終更新日2014-09-10
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献Crystal structure of Na+, K(+)-ATPase in the Na(+)-bound state.
Science, 342, 2013
6IX6
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Crystal structure of the complex of peptidyl-tRNA hydrolase with N-propanol at 1.43 A resolution
分子名称: N-PROPANOL, Peptidyl-tRNA hydrolase
著者Viswanathan, V, Sharma, P, Chaudhary, A, Sharma, S, Singh, T.P.
登録日2018-12-09
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Crystal structure of the complex of peptidyl-tRNA hydrolase with N-propanol at 1.43 A resolution
To Be Published
1NLC
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HIV-1 DIS(Mal) duplex Zn-soaked
分子名称: HIV-1 DIS(MAL) genomic RNA, ZINC ION
著者Ennifar, E, Walter, P, Dumas, P.
登録日2003-01-07
公開日2003-05-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A crystallographic study of the binding of 13 metal ions to two related RNA duplexes.
Nucleic Acids Res., 31, 2003
4CQ9
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BU of 4cq9 by Molmil
Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with IDI-6253
分子名称: 6-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine, DIHYDROOROTATE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, ...
著者Rowland, P.
登録日2014-02-12
公開日2014-04-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献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
8PTL
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human PHOX2B C-terminal domain including the polyA fragment at 278K
分子名称: Paired mesoderm homeobox protein 2B
著者Anton, R, Trevino, M.A, Pantoja-Uceda, D, Felix, S, Babu, M, Cabrita, E.J, Zweckstetter, M, Tinnefeld, P, Vera, A.M, Oroz, J.
登録日2023-07-14
公開日2024-03-13
実験手法SOLUTION NMR
主引用文献Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions.
Nat Commun, 15, 2024
8A0K
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crystal structure of the kinetoplastid kinetochore protein Trypanosoma brucei KKT3 Divergent Polo-Box domain
分子名称: DI(HYDROXYETHYL)ETHER, Protein kinase, putative
著者Ishii, M, Ludzia, P, Marciano, G, Allen, W, Nerusheva, O.O, Akiyoshi, B.
登録日2022-05-27
公開日2022-06-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Divergent polo boxes in KKT2 bind KKT1 to initiate the kinetochore assembly cascade in Trypanosoma brucei.
Mol.Biol.Cell, 33, 2022
8A0J
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Crystal structure of the kinetoplastid kinetochore protein Trypanosoma congolense KKT2 divergent polo-box domain
分子名称: Uncharacterized protein TCIL3000_11_11110
著者Ishii, M, Ludzia, P, Marciano, G, Allen, W, Nerusheva, O, Akiyoshi, B.
登録日2022-05-27
公開日2022-06-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Divergent polo boxes in KKT2 bind KKT1 to initiate the kinetochore assembly cascade in Trypanosoma brucei.
Mol.Biol.Cell, 33, 2022
8PUI
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human PHOX2B C-terminal domain including the polyA fragment at 298K
分子名称: Paired mesoderm homeobox protein 2B
著者Anton, R, Trevino, M.A, Pantoja-Uceda, D, Felix, S, Babu, M, Cabrita, E.J, Zweckstetter, M, Tinnefeld, P, Vera, A.M, Oroz, J.
登録日2023-07-17
公開日2024-03-13
実験手法SOLUTION NMR
主引用文献Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions.
Nat Commun, 15, 2024
5UDV
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LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with iron
分子名称: FE (III) ION, Lactate racemization operon protein LarE, PHOSPHATE ION, ...
著者Fellner, M, Desguin, B, Hausinger, R.P, Hu, J.
登録日2016-12-28
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.621 Å)
主引用文献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
6JBF
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Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neamine analog (axial 4'-F)
分子名称: (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')
著者Kanazawa, H, Auffinger, P, Hanessian, S, Kondo, J.
登録日2019-01-25
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neamine analog (axial 4'-F)
To Be Published
8POK
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Cryo-EM structure of cell-free synthesized human histamine H2 receptor coupled to heterotrimeric Gs protein in lipid environment
分子名称: 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, ...
著者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.
登録日2023-07-05
公開日2024-03-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structure of cell-free synthesized human histamine 2 receptor/G s complex in nanodisc environment.
Nat Commun, 15, 2024
2VFG
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Crystal structure of the F96H mutant of Plasmodium falciparum triosephosphate isomerase with 3-phosphoglycerate bound at the dimer interface
分子名称: 3-PHOSPHOGLYCERIC ACID, TRIOSEPHOSPHATE ISOMERASE
著者Gayathri, P, Banerjee, M, Vijayalakshmi, A, Balaram, H, Balaram, P, Murthy, M.R.N.
登録日2007-11-04
公開日2008-12-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
5UDQ
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LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, apo form
分子名称: Lactate racemization operon protein LarE, PHOSPHATE ION, SULFATE ION
著者Fellner, M, Desguin, B, Hausinger, R.P, Hu, J.
登録日2016-12-28
公開日2017-08-23
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献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
5TQ4
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Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin
分子名称: 6-(2-ethyl-4-hydroxyphenyl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase JAK2
著者Chrencik, J, Jones, P.
登録日2016-10-23
公開日2017-01-11
最終更新日2017-02-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
7KL9
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Structure of the SARS-CoV-2 S 6P trimer in complex with the ACE2 protein decoy, CTC-445.2 (State 4)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CTC-445.2 inhibitor, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2020-10-29
公開日2020-11-11
最終更新日2020-12-16
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献De novo design of potent and resilient hACE2 decoys to neutralize SARS-CoV-2.
Science, 370, 2020

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