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5OIM
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BU of 5oim by Molmil
InhA (T2A mutant) complexed with ethyl 2-methyl-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate
分子名称: 2-ETHOXYETHANOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5UKW
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BU of 5ukw by Molmil
Crystal structure of human Glucose 6-phosphate Dehydrogenase mutant (A277C) complexed with G6P
分子名称: 6-O-phosphono-beta-D-glucopyranose, GLYCEROL, Glucose-6-phosphate 1-dehydrogenase
著者Ranzani, A.T, Cordeiro, A.T.
登録日2017-01-23
公開日2017-04-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Mutations in the tetramer interface of human glucose-6-phosphate dehydrogenase reveals kinetic differences between oligomeric states.
FEBS Lett., 591, 2017
6BXC
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BU of 6bxc by Molmil
Crystal structure of N-terminal fragment of Zebrafish Toll-Like Receptor 5 (TLR5) with Lamprey Variable Lymphocyte Receptor 9 (VLR9) bound
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gunn, R.J, Wilson, I.A, Cooper, M.D, Herrin, B.R.
登録日2017-12-18
公開日2018-05-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献VLR Recognition of TLR5 Expands the Molecular Characterization of Protein Antigen Binding by Non-Ig-based Antibodies.
J. Mol. Biol., 430, 2018
3W70
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BU of 3w70 by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-095
分子名称: 2,6-dioxo-5-[2-(4-phenoxyphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
著者Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
登録日2013-02-27
公開日2014-03-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-095
To be Published
9FTZ
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BU of 9ftz by Molmil
CIII2/CIV respiratory supercomplex from Mycobacterium smegmatis with lansoprazole sulfide
分子名称: (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ...
著者Kovalova, T, Krol, S, Gamiz-Hernandez, A, Sjostrand, D, Kaila, V, Brzezinski, P, Hogbom, M.
登録日2024-06-25
公開日2024-11-20
最終更新日2024-11-27
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Inhibition mechanism of potential antituberculosis compound lansoprazole sulfide.
Proc.Natl.Acad.Sci.USA, 121, 2024
5GIE
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BU of 5gie by Molmil
Crystal structure of VDR in complex with DLAM-4P (P21 form)
分子名称: (3R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(3S,5R)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-3-oxidanyl-1-(4-phenylbutyl)pyrrolidin-2-one, SRC1, Vitamin D3 receptor
著者Asano, L, Shimizu, T.
登録日2016-06-23
公開日2016-12-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.387 Å)
主引用文献Regulation of the vitamin D receptor by vitamin D lactam derivatives.
Febs Lett., 590, 2016
3W7O
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BU of 3w7o by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-3-165
分子名称: 5-[2-(3-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
著者Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
登録日2013-03-02
公開日2014-03-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-3-165
To be Published
3W83
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BU of 3w83 by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-6-097
分子名称: 5-{2-[7-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
著者Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
登録日2013-03-12
公開日2014-04-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-6-097
To be Published
9FU0
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BU of 9fu0 by Molmil
CIII2/CIV respiratory chain supercomplex from Mycobacterium smegmatis
分子名称: (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ...
著者Kovalova, T, Krol, S, Gamiz-Hernandez, A, Sjostrand, D, Kaila, V, Brzezinski, P, Hogbom, M.
登録日2024-06-25
公開日2024-11-20
最終更新日2024-11-27
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Inhibition mechanism of potential antituberculosis compound lansoprazole sulfide.
Proc.Natl.Acad.Sci.USA, 121, 2024
3W7I
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BU of 3w7i by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-055
分子名称: 5-[2-(3-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
著者Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
登録日2013-02-28
公開日2014-03-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-055
To be Published
3JYU
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BU of 3jyu by Molmil
Crystal structure of the N-terminal domains of the ubiquitin specific peptidase 4 (USP4)
分子名称: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Ubiquitin carboxyl-terminal hydrolase
著者Bacik, J.P, Avvakumov, G, Walker, J.R, Xue, S, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2009-09-22
公開日2009-10-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Crystal structure of the N-terminal domains of the ubiquitin specific peptidase 4 (USP4)
To be Published
6APT
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BU of 6apt by Molmil
Trypanosoma brucei hypoxanthine guanine phosphoribosyltransferase in complex with {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)
分子名称: DI(HYDROXYETHYL)ETHER, Hypoxanthine-guanine phosphoribosyltransferase, {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)
著者Teran, D, Guddat, L.W.
登録日2017-08-17
公開日2018-03-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
PLoS Negl Trop Dis, 12, 2018
6K40
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BU of 6k40 by Molmil
Crystal structure of alkyl hydroperoxide reductase from D. radiodurans R1
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkyl hydroperoxide reductase AhpD, DI(HYDROXYETHYL)ETHER, ...
著者Kim, M.-K, Zhang, J, Zhao, L.
登録日2019-05-22
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal structure of the AhpD-like protein DR1765 from Deinococcus radiodurans R1.
Biochem.Biophys.Res.Commun., 529, 2020
1T41
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BU of 1t41 by Molmil
Crystal structure of human aldose reductase complexed with NADP and IDD552
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID
著者Ruiz, F, Hazemann, I, Mitschler, A, Chevrier, B, Schneider, T, Joachimiak, A, Karplus, M, Podjarny, A.
登録日2004-04-28
公開日2004-08-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献The crystallographic structure of the aldose reductase-IDD552 complex shows direct proton donation from tyrosine 48.
Acta Crystallogr.,Sect.D, 60, 2004
1T6U
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BU of 1t6u by Molmil
Nickel Superoxide Dismutase (NiSOD) Native 1.30 A Structure
分子名称: NICKEL (II) ION, Superoxide dismutase [Ni]
著者Barondeau, D.P, Kassmann, C.J, Bruns, C.K, Tainer, J.A, Getzoff, E.D.
登録日2004-05-07
公開日2004-07-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Nickel superoxide dismutase structure and mechanism.
Biochemistry, 43, 2004
5UM6
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BU of 5um6 by Molmil
Crystal Structure of S. pombe Uba1 in a closed conformation
分子名称: 2-(decylamino)ethane-1-thiol, N-(2-{[(4-chlorophenyl)methyl]disulfanyl}ethyl)decan-1-amine, SULFATE ION, ...
著者Lv, Z, Yuan, L, Aldana-Masangkay, G, Atkison, J.H, Chen, Y, Olsen, S.K.
登録日2017-01-26
公開日2017-06-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献Domain alternation and active site remodeling are conserved structural features of ubiquitin E1.
J. Biol. Chem., 292, 2017
1EFT
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BU of 1eft by Molmil
THE CRYSTAL STRUCTURE OF ELONGATION FACTOR EF-TU FROM THERMUS AQUATICUS IN THE GTP CONFORMATION
分子名称: ELONGATION FACTOR TU, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Kjeldgaard, M, Nissen, P, Thirup, S, Nyborg, J.
登録日1993-08-24
公開日1994-08-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of elongation factor EF-Tu from Thermus aquaticus in the GTP conformation.
Structure, 1, 1993
1TG2
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BU of 1tg2 by Molmil
Crystal structure of phenylalanine hydroxylase A313T mutant with 7,8-dihydrobiopterin bound
分子名称: 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, FE (III) ION, Phenylalanine-4-hydroxylase
著者Erlandsen, H, Pey, A.L, Gamez, A, Perez, B, Desviat, L.R, Aguado, C, Koch, R, Surendran, S, Tyring, S, Matalon, R, Scriver, C.R, Ugarte, M, Martinez, A, Stevens, R.C.
登録日2004-05-28
公開日2004-11-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Correction of kinetic and stability defects by tetrahydrobiopterin in phenylketonuria patients with certain phenylalanine hydroxylase mutations.
Proc.Natl.Acad.Sci.Usa, 101, 2004
5UP9
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BU of 5up9 by Molmil
Crystal Structure of Zn-bound Human Heavy-Chain ferritin variant 122H-delta C-star with para-xylenedihydroxamate
分子名称: 2,2'-(1,4-phenylene)bis(N-hydroxyacetamide), DI(HYDROXYETHYL)ETHER, Ferritin heavy chain, ...
著者Bailey, J.B, Zhang, L, Chiong, J.A, Ahn, S, Tezcan, F.A.
登録日2017-02-01
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Synthetic Modularity of Protein-Metal-Organic Frameworks.
J. Am. Chem. Soc., 139, 2017
2ZTL
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BU of 2ztl by Molmil
Closed conformation of D-3-hydroxybutyrate dehydrogenase complexed with NAD+ and L-3-hydroxybutyrate
分子名称: (3S)-3-HYDROXYBUTANOIC ACID, D(-)-3-hydroxybutyrate dehydrogenase, GLYCEROL, ...
著者Nakashima, K, Nakajima, Y, Ito, K, Yoshimoto, T.
登録日2008-10-07
公開日2009-08-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Closed complex of the D-3-hydroxybutyrate dehydrogenase induced by an enantiomeric competitive inhibitor.
J.Biochem., 145, 2009
3VB6
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BU of 3vb6 by Molmil
Crystal structure of SARS-CoV 3C-like protease with C6Z
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, C6Z inhibitor
著者Chuck, C.P, Wong, K.B.
登録日2011-12-31
公開日2012-12-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases
Eur.J.Med.Chem., 59C, 2012
4JH8
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BU of 4jh8 by Molmil
Crystal Structure of FosB from Bacillus cereus with Zinc and L-Cysteine-Fosfomycin Ternary Complex
分子名称: CYSTEINE, FOSFOMYCIN, GLYCEROL, ...
著者Thompson, M.K, Harp, J, Keithly, M.E, Jagessar, K, Cook, P.D, Armstrong, R.N.
登録日2013-03-04
公開日2013-10-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structural and Chemical Aspects of Resistance to the Antibiotic Fosfomycin Conferred by FosB from Bacillus cereus.
Biochemistry, 52, 2013
2EXN
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BU of 2exn by Molmil
Solution structure for the protein coded by gene locus BB0938 of Bordetella bronchiseptica. Northeast Structural Genomics target BoR11.
分子名称: Hypothetical protein BoR11
著者Rossi, P, Ramelot, T, Xiao, R, Ho, C.K, Ma, L.-C, Acton, T.B, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2005-11-08
公開日2005-11-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献(1)H, (13)C, and (15)N Resonance Assignments for the Protein Coded by Gene Locus BB0938 of Bordetella bronchiseptica
J.Biomol.NMR, 33, 2005
5ZSG
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BU of 5zsg by Molmil
Crystal structure of monkey TLR7 in complex with gardiquimod
分子名称: 1-{4-amino-2-[(ethylamino)methyl]-1H-imidazo[4,5-c]quinolin-1-yl}-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, Z, Ohto, U, Shimizu, T.
登録日2018-04-28
公開日2019-01-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
4AWT
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Crystal structure of the reduced Shewanella Yellow Enzyme 1 (SYE1) M25L mutant
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, FLAVIN MONONUCLEOTIDE, SULFATE ION, ...
著者Elegheert, J, Brige, A, Savvides, S.N.
登録日2012-06-05
公開日2013-06-26
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Modulation of Isoalloxazine Ring Planarity Influences Fmn Electronic Properties in Old Yellow Enzymes
To be Published

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