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5LNC
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BU of 5lnc by Molmil
Structure of SPX domain of the yeast inorganic polyphophate polymerase Vtc4 crystallized by carrier-driven crystallization in fusion with the macro domain of human histone macroH2A1.1
分子名称: Vacuolar transporter chaperone 4,Core histone macro-H2A.1
著者Wild, R, Hothorn, M.
登録日2016-08-03
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献The macro domain as fusion tag for carrier-driven crystallization.
Protein Sci., 26, 2017
6HDM
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BU of 6hdm by Molmil
R49A variant of beta-phosphoglucomutase from Lactococcus lactis complexed with magnesium trifluoride and beta-G6P to 1.3 A.
分子名称: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 6-O-phosphono-beta-D-glucopyranose, ...
著者Robertson, A.J, Bisson, C, Waltho, J.P.
登録日2018-08-17
公開日2020-08-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase.
To Be Published
5LFV
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BU of 5lfv by Molmil
Crystal structure of glycosylated Myelin-associated glycoprotein (MAG) Ig1-3 with soaked trisaccharide ligand
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Myelin-associated glycoprotein, ...
著者Pronker, M.F, Janssen, B.J.C.
登録日2016-07-04
公開日2016-12-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of myelin-associated glycoprotein adhesion and signalling.
Nat Commun, 7, 2016
7KGZ
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BU of 7kgz by Molmil
FMN-binding beta-glucuronidase from Roseburia hominis
分子名称: Beta-glucuronidase, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
著者Walker, M.E, Redinbo, M.R.
登録日2020-10-19
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
5LNK
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BU of 5lnk by Molmil
Entire ovine respiratory complex I
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 4'-PHOSPHOPANTETHEINE, ...
著者Fiedorczuk, K, Letts, J.A, Kaszuba, K, Sazanov, L.A.
登録日2016-08-04
公開日2016-11-23
最終更新日2021-06-02
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Atomic structure of the entire mammalian mitochondrial complex I.
Nature, 538, 2016
6AX7
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BU of 6ax7 by Molmil
The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus
分子名称: FE (II) ION, Procollagen lysyl hydroxylase and glycosyltransferase
著者Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M.
登録日2017-09-06
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding.
Nat Commun, 9, 2018
6U7J
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BU of 6u7j by Molmil
Uncultured Clostridium sp. Beta-glucuronidase
分子名称: Beta-glucuronidase, CALCIUM ION
著者Ervin, S.M, Redinbo, M.R.
登録日2019-09-03
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Gut microbial beta-glucuronidases reactivate estrogens as components of the estrobolome that reactivate estrogens.
J.Biol.Chem., 294, 2019
8PHE
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BU of 8phe by Molmil
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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BU of 8phf by Molmil
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
8PDD
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BU of 8pdd by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni at 1.25A resolution.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
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2023-06-12
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 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
8PL7
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BU of 8pl7 by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 8.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide
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
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.77 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
3O3P
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BU of 3o3p by Molmil
Crystal structure of R. xylanophilus MpgS in complex with GDP-Mannose
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, ...
著者Macedo-Ribeiro, S, Pereira, P.J.B, Empadinhas, N, da Costa, M.S.
登録日2010-07-25
公開日2010-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.529 Å)
主引用文献Functional and structural characterization of a novel mannosyl-3-phosphoglycerate synthase from Rubrobacter xylanophilus reveals its dual substrate specificity
Mol.Microbiol., 79, 2011
6AY6
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BU of 6ay6 by Molmil
Naegleria fowleri CYP51-voriconazole complex
分子名称: CYP51, sterol 14alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M.
登録日2017-09-07
公開日2017-11-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11, 2017
6AY0
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BU of 6ay0 by Molmil
Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) soaked with peptide
分子名称: COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase
著者Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M.
登録日2017-09-07
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
8PLM
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BU of 8plm by Molmil
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
6U76
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BU of 6u76 by Molmil
Structure of methanesulfinate monooxygenase MsuC from Pseudomonas fluorescens.
分子名称: methanesulfinate monooxygenase
著者Soule, J, Gnann, A.D, Parker, M.J, McKenna, K.C, Nguyen, S.V, Phan, N.T, Wicht, D.K, Dowling, D.P.
登録日2019-08-31
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献To be published
To Be Published
6KWS
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BU of 6kws by Molmil
Crystal structure of Gre2 from Candida albicans
分子名称: Methylglyoxal reductase (NADPH-dependent)
著者Nguyen, G.T, Chang, J.H.
登録日2019-09-08
公開日2020-09-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of NADPH-Dependent Methylglyoxal Reductase Gre2 from Candida Albicans
Crystals, 9, 2019
8PLX
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BU of 8plx by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 34.
分子名称: 4-(4-fluorophenyl)piperazine-1-carboxamide, 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
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.77 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
2ZYJ
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BU of 2zyj by Molmil
Crystal structure of LysN, alpha-aminoadipate aminotransferase (complexed with N-(5'-phosphopyridoxyl)-L-glutamate), from Thermus thermophilus HB27
分子名称: Alpha-aminodipate aminotransferase, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamic acid
著者Ouchi, T, Tomita, T, Kuzuyama, T, Nishiyama, M.
登録日2009-01-26
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Dual roles of a conserved pair, Arg23 and Ser20, in recognition of multiple substrates in alpha-aminoadipate aminotransferase from Thermus thermophilus.
Biochem.Biophys.Res.Commun., 388, 2009
8PL6
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BU of 8pl6 by Molmil
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
最終更新日2024-10-16
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
4XR7
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BU of 4xr7 by Molmil
Structure of the Saccharomyces cerevisiae PAN2-PAN3 core complex
分子名称: PAB-dependent poly(A)-specific ribonuclease subunit PAN2, PAB-dependent poly(A)-specific ribonuclease subunit PAN3
著者Schafer, I.B, Rode, M, Bonneau, F, Schussler, S, Conti, E.
登録日2015-01-20
公開日2015-01-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.796 Å)
主引用文献The structure of the Pan2-Pan3 core complex reveals cross-talk between deadenylase and pseudokinase.
Nat. Struct. Mol. Biol., 21, 2014
6AZU
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BU of 6azu by Molmil
Holo IDO1 crystal structure
分子名称: Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Lewis, H.A, Yan, C.
登録日2017-09-13
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.822 Å)
主引用文献Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8PLQ
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BU of 8plq by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 27.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-(1-ethylbenzimidazol-2-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 (2.29 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
8PLD
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BU of 8pld by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 14.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-Benzyl-2-methoxyacetamide, 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 (1.85 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
6TUX
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human XPG-DNA, Complex 2
分子名称: DNA (5'-D(P*AP*AP*CP*TP*CP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*GP*AP*GP*TP*T)-3'), DNA repair protein complementing XP-G cells,DNA repair protein complementing XP-G cells
著者Ruiz, F.M, Fernandez-Tornero, C.
登録日2020-01-08
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The crystal structure of human XPG, the xeroderma pigmentosum group G endonuclease, provides insight into nucleotide excision DNA repair.
Nucleic Acids Res., 48, 2020

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