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6TQM
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BU of 6tqm by Molmil
Escherichia coli AdhE structure in its compact conformation
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Aldehyde-alcohol dehydrogenase, FE (III) ION
著者Fronzes, R, Pony, P.
登録日2019-12-16
公開日2020-06-03
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Filamentation of the bacterial bi-functional alcohol/aldehyde dehydrogenase AdhE is essential for substrate channeling and enzymatic regulation.
Nat Commun, 11, 2020
6TTB
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BU of 6ttb by Molmil
Crystal structure of NAD-dependent formate dehydrogenase from Staphylococcus aureus in complex with NAD
分子名称: Formate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Boyko, K.M, Pometun, A.A, Nikolaeva, A.Y, Kargov, I.S, Yurchenko, T.S, Savin, S.S, Popov, V.O, Tishkov, V.I.
登録日2019-12-26
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of NAD-dependent formate dehydrogenase from Staphylococcus aureus in complex with NAD
To Be Published
6HC2
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BU of 6hc2 by Molmil
Crystal structure of NuMA/LGN hetero-hexamers
分子名称: G-protein-signaling modulator 2, Nuclear mitotic apparatus protein 1
著者Pasqualato, S, Culurgioni, S, Foadi, J, Alfieri, A, Mapelli, M.
登録日2018-08-13
公開日2019-05-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (4.31 Å)
主引用文献Hexameric NuMA:LGN structures promote multivalent interactions required for planar epithelial divisions.
Nat Commun, 10, 2019
6HRL
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BU of 6hrl by Molmil
Crystal structure of the Kelch domain of human KLHL17
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Kelch-like protein 17, ...
著者Chen, Z, Williams, E, Sorrell, F.J, Newman, J.A, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, F, Edwards, C.H, Bountra, C, Bullock, A.N.
登録日2018-09-27
公開日2018-10-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the Kelch domain of human KLHL17
To Be Published
6GDD
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BU of 6gdd by Molmil
DIHYDROOROTASE FROM AQUIFEX AEOLICUS UNDER 1200 BAR OF HYDROSTATIC PRESSURE
分子名称: Dihydroorotase, SULFATE ION, ZINC ION
著者Prange, T, Girard, E, Herve, G, Evans, D.R.
登録日2018-04-23
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Pressure-induced activation of latent dihydroorotase from Aquifex aeolicus as revealed by high pressure protein crystallography.
Febs J., 286, 2019
2KLD
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BU of 2kld by Molmil
Solution Structure of the Calcium Binding Domain of the C-terminal Cytosolic Domain of Polycystin-2
分子名称: Polycystin-2
著者Kalbitzer, H.R.
登録日2009-07-01
公開日2009-07-28
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR-assignments of a cytosolic domain of the C-terminus of polycystin-2
Biomol.Nmr Assign., 3, 2009
7AYY
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BU of 7ayy by Molmil
Structure of the human 8-oxoguanine DNA Glycosylase hOGG1 in complex with activator TH10785
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, N-glycosylase/DNA lyase, ...
著者Masuyer, G, Davies, J.R, Stenmark, P.
登録日2020-11-13
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
7AYZ
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BU of 7ayz by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with activator TH10785
分子名称: N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine
著者Masuyer, G, Davies, J.R, Stenmark, P.
登録日2020-11-13
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
7AZ0
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BU of 7az0 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with TH12161
分子名称: 2-cyclopropyl-~{N}-(4-iodophenyl)quinazolin-4-amine, N-glycosylase/DNA lyase, NICKEL (II) ION
著者Davies, J.R, Masuyer, G, Stenmark, P.
登録日2020-11-13
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
6G3Y
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BU of 6g3y by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH5675
分子名称: 4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide, ACETATE ION, N-glycosylase/DNA lyase, ...
著者Masuyer, G, Helleday, T, Stenmark, P.
登録日2018-03-26
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Small-molecule inhibitor of OGG1 suppresses proinflammatory gene expression and inflammation.
Science, 362, 2018
6GEQ
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BU of 6geq by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP121A1 in complex with Triazole Pyrazole inhibitor 14a
分子名称: 1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Levy, C.W.
登録日2018-04-27
公開日2019-08-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design and Synthesis of Imidazole and Triazole Pyrazoles asMycobacterium TuberculosisCYP121A1 Inhibitors.
Chemistryopen, 8, 2019
2O53
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BU of 2o53 by Molmil
Crystal structure of apo-Aspartoacylase from human brain
分子名称: Aspartoacylase, PHOSPHATE ION, ZINC ION
著者Le Coq, J, Pavlovsky, A, Sanishvili, R, Viola, R.E.
登録日2006-12-05
公開日2007-11-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Examination of the Mechanism of Human Brain Aspartoacylase through the Binding of an Intermediate Analogue.
Biochemistry, 47, 2008
6TJV
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BU of 6tjv by Molmil
Structure of the NDH-1MS complex from Thermosynechococcus elongatus
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, BETA-CAROTENE, ...
著者Schuller, J.M, Saura, P, Thiemann, J, Schuller, S.K, Gamiz-Hernandez, A.P, Kurisu, G, Nowaczyk, M.M, Kaila, V.R.I.
登録日2019-11-27
公開日2020-02-19
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Redox-coupled proton pumping drives carbon concentration in the photosynthetic complex I.
Nat Commun, 11, 2020
6TET
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BU of 6tet by Molmil
The structure of CYP121 in complex with inhibitor L21
分子名称: 1,2-ETHANEDIOL, 1-[(~{E})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole, Mycocyclosin synthase, ...
著者Adam, S, Koehnke, J.
登録日2019-11-12
公開日2021-05-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49986887 Å)
主引用文献Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.
Chemmedchem, 16, 2021
6TEV
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BU of 6tev by Molmil
The structure of CYP121 in complex with inhibitor L44
分子名称: 1,2-ETHANEDIOL, 1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole, Mycocyclosin synthase, ...
著者Adam, S, Koehnke, J.
登録日2019-11-12
公開日2021-05-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.70001268 Å)
主引用文献Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.
Chemmedchem, 16, 2021
6TE7
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BU of 6te7 by Molmil
The structure of CYP121 in complex with inhibitor S2
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol, Mycocyclosin synthase, ...
著者Adam, S, Koehnke, J.
登録日2019-11-11
公開日2021-05-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.50001824 Å)
主引用文献Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.
Chemmedchem, 16, 2021
2KPU
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BU of 2kpu by Molmil
NMR Structure of YbbR family protein Dhaf_0833 (residues 32-118) from Desulfitobacterium hafniense DCB-2: Northeast Structural Genomics Consortium target DhR29B
分子名称: YbbR family protein
著者Cort, J.R, Ramelot, T.A, Yang, Y, Belote, R.L, Ciccosanti, C, Haleema, J, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2009-10-20
公開日2009-12-08
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Structures of domains I and IV from YbbR are representative of a widely distributed protein family.
Protein Sci., 20, 2011
2O4H
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BU of 2o4h by Molmil
Human brain aspartoacylase complex with intermediate analog (N-phosphonomethyl-L-aspartate)
分子名称: Aspartoacylase, N-[HYDROXY(METHYL)PHOSPHORYL]-L-ASPARTIC ACID, ZINC ION
著者Le Coq, J, Pavlovsky, A, Sanishvili, R, Viola, R.E.
登録日2006-12-04
公開日2007-11-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Examination of the Mechanism of Human Brain Aspartoacylase through the Binding of an Intermediate Analogue.
Biochemistry, 47, 2008
2OHV
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BU of 2ohv by Molmil
Structural Basis for Glutamate Racemase Inhibition
分子名称: (4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID, Glutamate Racemase
著者Kim, E.E.
登録日2007-01-10
公開日2007-09-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for glutamate racemase inhibition
J.Mol.Biol., 372, 2007
6G3X
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BU of 6g3x by Molmil
Native Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1
分子名称: N-glycosylase/DNA lyase, NICKEL (II) ION
著者Masuyer, G, Helleday, T, Stenmark, P.
登録日2018-03-26
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Small-molecule inhibitor of OGG1 suppresses proinflammatory gene expression and inflammation.
Science, 362, 2018
6TWM
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BU of 6twm by Molmil
Product bound structure of the Ectoine utilization protein EutE (DoeB) from Ruegeria pomeroyi
分子名称: 2,4-DIAMINOBUTYRIC ACID, ACETATE ION, N-acetyl-L-2,4-diaminobutyric acid deacetylase, ...
著者Mais, C.-N, Altegoer, F, Bange, G.
登録日2020-01-13
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Degradation of the microbial stress protectants and chemical chaperones ectoine and hydroxyectoine by a bacterial hydrolase-deacetylase complex.
J.Biol.Chem., 295, 2020
2W3U
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BU of 2w3u by Molmil
formate complex of the Ni-Form of E.coli deformylase
分子名称: FORMIC ACID, NICKEL (II) ION, PEPTIDE DEFORMYLASE
著者Ngo, Y.H.T, Palm, G.J, Hinrichs, W.
登録日2008-11-14
公開日2009-12-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structure of the Ni(II) Complex of Escherichia Coli Peptide Deformylase and Suggestions on Deformylase Activities Depending on Different Metal(II) Centres.
J.Biol.Inorg.Chem., 15, 2010
3HWC
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BU of 3hwc by Molmil
Crystal Structure of Chlorophenol 4-Monooxygenase (TftD) of Burkholderia cepacia AC1100
分子名称: Chlorophenol-4-monooxygenase component 2
著者Ballinger, J.W, Kang, C.H.
登録日2009-06-17
公開日2009-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Characterization of chlorophenol 4-monooxygenase (TftD) and NADH:FAD oxidoreductase (TftC) of Burkholderia cepacia AC1100.
J.Biol.Chem., 285, 2010
2W1B
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BU of 2w1b by Molmil
The structure of the efflux pump AcrB in complex with bile acid
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, ACRIFLAVIN RESISTANCE PROTEIN B
著者Drew, D, Klepsch, M.M, Newstead, S, Flaig, R, De Gier, J.W, Iwata, S, Beis, K.
登録日2008-10-17
公開日2008-12-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.85 Å)
主引用文献The Structure of the Efflux Pump Acrb in Complex with Bile Acid.
Mol.Membr.Biol., 25, 2008
6T9X
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BU of 6t9x by Molmil
Crystal structure of formate dehydrogenase FDH2 D222Q/Q223R mutant enzyme from Granulicella mallensis MP5ACTX8 in complex with NADP and Azide.
分子名称: AZIDE ION, Formate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L.
登録日2019-10-29
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献From the Amelioration of a NADP+-dependent Formate Dehydrogenase to the Discovery of a New Enzyme: Round Trip from Theory to Practice
Chemcatchem, 2020

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