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2MO5
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BU of 2mo5 by Molmil
hIFABP-oleate complex
分子名称: Fatty acid-binding protein, intestinal, OLEIC ACID
著者Patil, R, Mohanty, B, Headey, S, Porter, C, Scanlon, M.
登録日2014-04-17
公開日2015-04-22
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of oleate bound human intestinal fatty acid binding protein
To be Published
6VKA
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BU of 6vka by Molmil
HIV Integrase Core domain (IN) in complex with dimer-spanning ligand
分子名称: 2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid, IODIDE ION, Integrase, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-01-19
公開日2021-01-20
実験手法X-RAY DIFFRACTION (1.863 Å)
主引用文献HIV Integrase core domain (IN) in complex with dimeric spanning inhibitor
To Be Published
6VLH
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BU of 6vlh by Molmil
HIV Integrase Core domain (IN) in complex with dimer-spanning ligand
分子名称: (2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-01-24
公開日2021-01-27
実験手法X-RAY DIFFRACTION (2.036 Å)
主引用文献HIV Integrase core domain (IN) in complex with dimeric spanning inhibitor
To Be Published
2MJI
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BU of 2mji by Molmil
HIFABP_Ketorolac_complex
分子名称: (1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid, Fatty acid-binding protein, intestinal
著者Patil, R, Laguerre, A, Wielens, J, Headey, S, Williams, M, Mohanty, B, Porter, C, Scanlon, M.
登録日2014-01-09
公開日2014-10-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Characterization of two distinct modes of drug binding to human intestinal Fatty Acid binding protein.
Acs Chem.Biol., 9, 2014
2M32
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BU of 2m32 by Molmil
Alpha-1 integrin I-domain in complex with GLOGEN triple helical peptide
分子名称: GLOGEN peptide, Integrin alpha-1, MAGNESIUM ION
著者Chin, Y, Headey, S, Mohanty, B, McEwan, P, Swarbrick, J, Mulhern, T, Emsley, J, Simpson, J, Scanlon, M.
登録日2013-01-07
公開日2013-11-06
最終更新日2014-02-12
実験手法SOLUTION NMR
主引用文献The Structure of Integrin alpha 1I Domain in Complex with a Collagen-mimetic Peptide.
J.Biol.Chem., 288, 2013
6BEB
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BU of 6beb by Molmil
Crystal structure of VACV D13 in complex with Rifamycin SV
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, Scaffold protein D13, ...
著者Garriga, D, Accurso, C, Coulibaly, F.
登録日2017-10-25
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BEF
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BU of 6bef by Molmil
Crystal structure of VACV D13 in complex with 3-formyl rifamycin SV
分子名称: (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, FORMIC ACID, ...
著者Garriga, D, Accurso, C, Coulibaly, F.
登録日2017-10-25
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BEE
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BU of 6bee by Molmil
Crystal structure of VACV D13 in complex with Rifaximin
分子名称: (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,1 5-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-2 5-yl acetate, 1,2-ETHANEDIOL, FORMIC ACID, ...
著者Garriga, D, Accurso, C, Coulibaly, F.
登録日2017-10-25
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BED
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BU of 6bed by Molmil
Crystal structure of VACV D13 in complex with Rifampicin
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, RIFAMPICIN, ...
著者Garriga, D, Accurso, C, Coulibaly, F.
登録日2017-10-25
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BEI
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BU of 6bei by Molmil
Crystal structure of VACV D13 in its apo (unbound) form
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, Scaffold protein D13
著者Garriga, D, Accurso, C, Coulibaly, F.
登録日2017-10-25
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BEC
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BU of 6bec by Molmil
Crystal structure of VACV D13 in complex with Rifabutin
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, RIFABUTIN, ...
著者Garriga, D, Accurso, C, Coulibaly, F.
登録日2017-10-25
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BEG
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BU of 6beg by Molmil
Crystal structure of VACV D13 F486A mutant
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, Scaffold protein D13
著者Garriga, D, Accurso, C, Coulibaly, F.
登録日2017-10-25
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BEH
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BU of 6beh by Molmil
Crystal structure of VACV D13 in complex with Rifapentine
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, RIFAPENTINE, ...
著者Garriga, D, Accurso, C, Coulibaly, F.
登録日2017-10-25
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2LY3
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BU of 2ly3 by Molmil
Solution structure of TamA POTRA domain I
分子名称: Translocation and assembly module TamA
著者Headey, S, Belousoff, M, Lithgow, T.
登録日2012-09-11
公開日2014-03-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The C-terminal beta-signal-like motif of TamB facilitates efficient autotransporter secretion.
To be Published
8F47
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BU of 8f47 by Molmil
Crystal structure of VACV D13 in complex with STK69439
分子名称: 6,8-dimethoxy-2-methylquinolin-4-amine, FORMIC ACID, Scaffold protein D13
著者Subedi, B.P, Garriga, D, Coulibaly, F.
登録日2022-11-10
公開日2023-12-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of scaffolidng protein D13 of Vaccinia Virus in complex with fragments inhibiting A17 binding.
To Be Published
8F65
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BU of 8f65 by Molmil
Crystal structure of VACV D13 in complex with BBL030900
分子名称: 8-methoxyquinolin-4-amine, FORMIC ACID, Scaffold protein D13
著者Subedi, B.P, Garriga, D, Coulibaly, F.
登録日2022-11-16
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure of scaffolidng protein D13 of Vaccinia Virus in complex with fragments inhibiting A17 binding.
To Be Published

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件を2024-07-24に公開中

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