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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
Descriptor: 2-ETHOXYETHANOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite: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
Descriptor: 6-O-phosphono-beta-D-glucopyranose, GLYCEROL, Glucose-6-phosphate 1-dehydrogenase
Authors:Ranzani, A.T, Cordeiro, A.T.
Deposit date:2017-01-23
Release date:2017-04-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
Descriptor: 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, ...
Authors:Gunn, R.J, Wilson, I.A, Cooper, M.D, Herrin, B.R.
Deposit date:2017-12-18
Release date:2018-05-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 2,6-dioxo-5-[2-(4-phenoxyphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors: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.
Deposit date:2013-02-27
Release date:2014-03-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: (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, ...
Authors:Kovalova, T, Krol, S, Gamiz-Hernandez, A, Sjostrand, D, Kaila, V, Brzezinski, P, Hogbom, M.
Deposit date:2024-06-25
Release date:2024-11-20
Last modified:2024-11-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite: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)
Descriptor: (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
Authors:Asano, L, Shimizu, T.
Deposit date:2016-06-23
Release date:2016-12-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.387 Å)
Cite: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
Descriptor: 5-[2-(3-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors: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.
Deposit date:2013-03-02
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite: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
Descriptor: 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), ...
Authors: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.
Deposit date:2013-03-12
Release date:2014-04-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: (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, ...
Authors:Kovalova, T, Krol, S, Gamiz-Hernandez, A, Sjostrand, D, Kaila, V, Brzezinski, P, Hogbom, M.
Deposit date:2024-06-25
Release date:2024-11-20
Last modified:2024-11-27
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite: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
Descriptor: 5-[2-(3-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
Authors: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.
Deposit date:2013-02-28
Release date:2014-03-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.69 Å)
Cite: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)
Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Ubiquitin carboxyl-terminal hydrolase
Authors: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)
Deposit date:2009-09-22
Release date:2009-10-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.37 Å)
Cite: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)
Descriptor: 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)
Authors:Teran, D, Guddat, L.W.
Deposit date:2017-08-17
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.795 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkyl hydroperoxide reductase AhpD, DI(HYDROXYETHYL)ETHER, ...
Authors:Kim, M.-K, Zhang, J, Zhao, L.
Deposit date:2019-05-22
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.27 Å)
Cite: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
Descriptor: 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
Authors:Ruiz, F, Hazemann, I, Mitschler, A, Chevrier, B, Schneider, T, Joachimiak, A, Karplus, M, Podjarny, A.
Deposit date:2004-04-28
Release date:2004-08-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.05 Å)
Cite: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
Descriptor: NICKEL (II) ION, Superoxide dismutase [Ni]
Authors:Barondeau, D.P, Kassmann, C.J, Bruns, C.K, Tainer, J.A, Getzoff, E.D.
Deposit date:2004-05-07
Release date:2004-07-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: 2-(decylamino)ethane-1-thiol, N-(2-{[(4-chlorophenyl)methyl]disulfanyl}ethyl)decan-1-amine, SULFATE ION, ...
Authors:Lv, Z, Yuan, L, Aldana-Masangkay, G, Atkison, J.H, Chen, Y, Olsen, S.K.
Deposit date:2017-01-26
Release date:2017-06-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.794 Å)
Cite: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
Descriptor: ELONGATION FACTOR TU, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Kjeldgaard, M, Nissen, P, Thirup, S, Nyborg, J.
Deposit date:1993-08-24
Release date:1994-08-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, FE (III) ION, Phenylalanine-4-hydroxylase
Authors: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.
Deposit date:2004-05-28
Release date:2004-11-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 2,2'-(1,4-phenylene)bis(N-hydroxyacetamide), DI(HYDROXYETHYL)ETHER, Ferritin heavy chain, ...
Authors:Bailey, J.B, Zhang, L, Chiong, J.A, Ahn, S, Tezcan, F.A.
Deposit date:2017-02-01
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: (3S)-3-HYDROXYBUTANOIC ACID, D(-)-3-hydroxybutyrate dehydrogenase, GLYCEROL, ...
Authors:Nakashima, K, Nakajima, Y, Ito, K, Yoshimoto, T.
Deposit date:2008-10-07
Release date:2009-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase, C6Z inhibitor
Authors:Chuck, C.P, Wong, K.B.
Deposit date:2011-12-31
Release date:2012-12-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: CYSTEINE, FOSFOMYCIN, GLYCEROL, ...
Authors:Thompson, M.K, Harp, J, Keithly, M.E, Jagessar, K, Cook, P.D, Armstrong, R.N.
Deposit date:2013-03-04
Release date:2013-10-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite: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.
Descriptor: Hypothetical protein BoR11
Authors: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)
Deposit date:2005-11-08
Release date:2005-11-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:(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
Descriptor: 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, ...
Authors:Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2018-04-28
Release date:2019-01-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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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BU of 4awt by Molmil
Crystal structure of the reduced Shewanella Yellow Enzyme 1 (SYE1) M25L mutant
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, FLAVIN MONONUCLEOTIDE, SULFATE ION, ...
Authors:Elegheert, J, Brige, A, Savvides, S.N.
Deposit date:2012-06-05
Release date:2013-06-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Modulation of Isoalloxazine Ring Planarity Influences Fmn Electronic Properties in Old Yellow Enzymes
To be Published

243531

數據於2025-10-22公開中

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