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5OM5
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BU of 5om5 by Molmil
Crystal structure of Alpha1-antichymotrypsin variant DBS-I-allo1: an allosterically triggered drug-binding serpin for doxycycline
分子名称: 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin, CHLORIDE ION
著者Schmidt, K, Muller, Y.A.
登録日2017-07-28
公開日2018-05-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.595 Å)
主引用文献Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6K61
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BU of 6k61 by Molmil
Cryo-EM structure of the tetrameric photosystem I from a heterocyst-forming cyanobacterium Anabaena sp. PCC7120
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Zheng, L, Li, Y, Li, X, Zhong, Q, Li, N, Zhang, K, Zhang, Y, Chu, H, Ma, C, Li, G, Zhao, J, Gao, N.
登録日2019-05-31
公開日2019-10-09
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.37 Å)
主引用文献Structural and functional insights into the tetrameric photosystem I from heterocyst-forming cyanobacteria.
Nat.Plants, 5, 2019
4J3I
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BU of 4j3i by Molmil
X-ray crystal structure of bromodomain complex to 1.24 A resolution
分子名称: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4, ...
著者Stein, A.J, White, A, Suto, R.K.
登録日2013-02-05
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献RVX-208, an Inducer of ApoA-I in Humans, Is a BET Bromodomain Antagonist.
Plos One, 8, 2013
4J4H
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BU of 4j4h by Molmil
PylD in complex with pyrroline-carboxy-lysine and NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MAGNESIUM ION, N~6~-[(2R)-3,4-dihydro-2H-pyrrol-2-ylcarbonyl]-L-lysine, ...
著者Quitterer, F, Beck, P, Bacher, A, Groll, M.
登録日2013-02-06
公開日2013-06-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and Reaction Mechanism of Pyrrolysine Synthase (PylD).
Angew.Chem.Int.Ed.Engl., 52, 2013
5XH7
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BU of 5xh7 by Molmil
Crystal structure of the Acidaminococcus sp. BV3L6 Cpf1 RR variant in complex with crRNA and target DNA (TCCA PAM)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CRISPR-associated endonuclease Cpf1, ...
著者Nishimasu, H, Yamano, T, Ishitani, R, Nureki, O.
登録日2017-04-19
公開日2017-06-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Altered PAM Recognition by Engineered CRISPR-Cpf1
Mol. Cell, 67, 2017
4J1N
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BU of 4j1n by Molmil
Crystal structures of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold
分子名称: 1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ...
著者Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E.
登録日2013-02-01
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).
Bioorg.Med.Chem.Lett., 25, 2015
1O01
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BU of 1o01 by Molmil
Human mitochondrial aldehyde dehydrogenase complexed with crotonaldehyde, NAD(H) and Mg2+
分子名称: (2E)-BUT-2-ENAL, 1,2-ETHANEDIOL, Aldehyde dehydrogenase, ...
著者Perez-Miller, S.J, Hurley, T.D.
登録日2003-02-20
公開日2003-06-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Coenzyme isomerization is integral to catalysis in aldehyde dehydrogenase
Biochemistry, 42, 2003
4IUO
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BU of 4iuo by Molmil
1.8 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) K170M Mutant in Complex with Quinate
分子名称: (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid, 3-dehydroquinate dehydratase
著者Light, S.H, Minasov, G, Duban, M.-E, Shuvalova, L, Kwon, K, Lavie, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-01-21
公開日2013-01-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of type I dehydroquinate dehydratase in complex with quinate and shikimate suggest a novel mechanism of schiff base formation.
Biochemistry, 53, 2014
5GGI
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BU of 5ggi by Molmil
Crystal structure of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase in complex with Mn, UDP and Mannosyl-peptide
分子名称: MANGANESE (II) ION, PHOSPHATE ION, Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1, ...
著者Kuwabara, N, Senda, T, Kato, R.
登録日2016-06-16
公開日2016-08-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan
Proc.Natl.Acad.Sci.USA, 113, 2016
6A36
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BU of 6a36 by Molmil
Mandelate oxidase mutant-Y128F with the 3-fluoropyruvic acid FMN adduct
分子名称: 1-deoxy-1-{5-[(1S)-2-fluoro-1-hydroxyethyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-5-O-phosphono-D-ribitol, 1-{5-[(3S)-3-carboxy-4-fluoro-3-hydroxybutanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-1-deoxy-5-O-phosphono-D-ribitol, 4-hydroxymandelate oxidase
著者Li, T.L, Lin, K.H.
登録日2018-06-15
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structural and chemical trapping of flavin-oxide intermediates reveals substrate-directed reaction multiplicity.
Protein Sci., 29, 2020
6TEC
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BU of 6tec by Molmil
Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Fe2+, Mn2+, UDP-Xylose
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chiapparino, A, De Giorgi, F, Scietti, L, Faravelli, S, Roscioli, T, Forneris, F.
登録日2019-11-11
公開日2021-05-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of Regulatory Molecular 'Hot Spots' for LH/PLOD Collagen Glycosyltransferase Activity
Int J Mol Sci, 2023
6TES
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BU of 6tes by Molmil
Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Fe2+, Mn2+, UDP-Glucuronic Acid
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chiapparino, A, De Giorgi, F, Scietti, L, Faravelli, S, Roscioli, T, Forneris, F.
登録日2019-11-12
公開日2021-05-19
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of Regulatory Molecular 'Hot Spots' for LH/PLOD Collagen Glycosyltransferase Activity
Int J Mol Sci, 2023
4JMV
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BU of 4jmv by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with imidazo[1,2-a]pyridin-6-amine
分子名称: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, imidazo[1,2-a]pyridin-6-amine
著者Barelier, S, Fischer, M.
登録日2013-03-14
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published
4BL5
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BU of 4bl5 by Molmil
Crystal structure of human GDP-L-fucose synthase with bound NADP and product GDP-L-fucose
分子名称: 1,2-ETHANEDIOL, GDP-L-FUCOSE SYNTHASE, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, ...
著者Vollmar, M, Shafqat, N, Rojkova, A, Krojer, T, Bradley, A, Raynor, J.W, Kavanagh, K, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U, Yue, W.W.
登録日2013-05-01
公開日2014-05-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Human Gdp-L-Fucose Synthase with Bound Nadp and Product Gdp-L-Fucose
To be Published
7JH0
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BU of 7jh0 by Molmil
Crystallographic structure of glyceraldehyde-3-phosphate dehydrogenase from Schistosoma mansoni
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Boreiko, S, Silva, M, Iulek, J.
登録日2020-07-20
公開日2021-02-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structure determination and analyses of the GAPDH from the parasite Schistosoma mansoni, the first one from a platyhelminth.
Biochimie, 184, 2021
4NJO
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BU of 4njo by Molmil
crystal structure of cofactor(NAD+) bound 3-phosphoglycerate dehydrogenase in Entamoeba histolytica
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D-3-phosphoglycerate dehydrogenase, putative, ...
著者Singh, R.K, Gourinath, S.
登録日2013-11-11
公開日2014-10-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structures and kinetics of Type III 3-phosphoglycerate dehydrogenase reveal catalysis by lysine.
Febs J., 281, 2014
5DKE
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BU of 5dke by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 3-naphthyl-substituted, methyl, cis-diaryl-ethylene compound 4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol
分子名称: 4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-03
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DL4
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BU of 5dl4 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a phenylamino-substituted, methyl, triaryl-ethylene derivative 4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol
分子名称: 4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-04
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4B49
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BU of 4b49 by Molmil
1.15 A Structure of Lysozyme Crystallized without 2-methyl-2,4- pentanediol
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, LYSOZYME C
著者Jakoncic, J, Berger, J, Stauber, M, Axelbaum, A, Asherie, N.
登録日2012-07-28
公開日2012-08-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystallization of Lysozyme with (R)-, (S)- and (Rs)-2-Methyl-2,4-Pentanediol
Acta Crystallogr.,Sect.D, 71, 2015
3VTF
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BU of 3vtf by Molmil
Structure of a UDP-glucose dehydrogenase from the hyperthermophilic archaeon Pyrobaculum islandicum
分子名称: 1,2-ETHANEDIOL, UDP-glucose 6-dehydrogenase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Sakuraba, H, Ohshima, T, Yoneda, K.
登録日2012-05-29
公開日2012-09-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a UDP-glucose dehydrogenase from the hyperthermophilic archaeon Pyrobaculum islandicum.
Acta Crystallogr.,Sect.F, 68, 2012
1E5V
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BU of 1e5v by Molmil
OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES BUFFER
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ...
著者Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C.
登録日2000-08-03
公開日2000-08-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family
Biochemistry, 39, 2000
2EFZ
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BU of 2efz by Molmil
Solution Structure of an M-1 Conotoxin with a novel disulfide linkage
分子名称: M conotoxin Mr3.4
著者Fang, W.H, Du, W.H, Han, Y.H, Huang, F.J.
登録日2007-02-26
公開日2007-05-08
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献Solution structure of an M-1 conotoxin with a novel disulfide linkage
Febs J., 274, 2007
6L3R
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BU of 6l3r by Molmil
Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 4-bromo-N-((1S,2R)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide
分子名称: 4-bromo-N-((1S,2R)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide, ACETATE ION, MAGNESIUM ION, ...
著者Miyahara, S, Chong, K.T, Suzuki, T.
登録日2019-10-15
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity
To be published
6EV2
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BU of 6ev2 by Molmil
Crystal structure of antibody against schizophyllan in complex with laminarihexaose
分子名称: Heavy chain, Light chain, beta-D-glucopyranose, ...
著者Sung, K.H, Josewski, J, Duebel, S, Blankenfeldt, W, Rau, U.
登録日2017-11-01
公開日2018-09-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Structural insights into antigen recognition of an anti-beta-(1,6)-beta-(1,3)-D-glucan antibody.
Sci Rep, 8, 2018
1VBI
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BU of 1vbi by Molmil
Crystal structure of type 2 malate/lactate dehydrogenase from thermus thermophilus HB8
分子名称: 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者Mizutani, H, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-02-27
公開日2005-04-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of type 2 malate/lactate dehydrogenase from thermus thermophilus HB8
To be Published

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