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3VQ7
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BU of 3vq7 by Molmil
HIV-1 IN core domain in complex with 4-(1H-pyrrol-1-yl)aniline
分子名称: 4-(1H-pyrrol-1-yl)aniline, CADMIUM ION, POL polyprotein, ...
著者Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
登録日2012-03-20
公開日2013-01-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
3VQA
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BU of 3vqa by Molmil
HIV-1 IN core domain in complex with 1-benzothiophen-6-amine 1,1-dioxide
分子名称: 1-benzothiophen-6-amine 1,1-dioxide, CADMIUM ION, POL polyprotein, ...
著者Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
登録日2012-03-20
公開日2013-01-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
4Y1C
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BU of 4y1c by Molmil
Cyclic hexapeptide cyc[NdPopPKID] in complex with HIV-1 integrase core domain
分子名称: CADMIUM ION, Cyclic hexapeptide cyc[NdPopPKID], Integrase, ...
著者Wielens, J, Chalmers, D.K.
登録日2015-02-07
公開日2015-02-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献HEXAPEPTIDE MIMETICS OF LEDGF IN COMPLEX WITH HIV-1 INTEGRASE
To Be Published
4Y1D
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BU of 4y1d by Molmil
Cyclic hexapeptide cyc[NdPopPKID] in complex with HIV-1 integrase core domain
分子名称: CADMIUM ION, CHLORIDE ION, Cyclic hexapeptide cyc[NdPopPKID], ...
著者Wielens, J, Chalmers, D.K.
登録日2015-02-07
公開日2015-05-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献HEXAPEPTIDE MIMETICS OF LEDGF IN COMPLEX WITH HIV-1 INTEGRASE
To Be Published
3AKM
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BU of 3akm by Molmil
X-ray structure of iFABP from human and rat with bound fluorescent fatty acid analogue
分子名称: 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid, Fatty acid-binding protein, intestinal, ...
著者Wielens, J, Laguerre, A.J.K, Parker, M.W, Scanlon, M.J.
登録日2010-07-14
公開日2011-07-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of human and rat intestinal fatty acid binding proteins in complex with 11-(Dansylamino)undecanoic acid
To be Published
3AKN
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BU of 3akn by Molmil
X-ray structure of iFABP from human and rat with bound fluorescent fatty acid analogue
分子名称: 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid, Fatty acid-binding protein, intestinal
著者Wielens, J, Laguerre, A.J.K, Parker, M.W, Scanlon, M.J.
登録日2010-07-14
公開日2011-07-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of human and rat intestinal fatty acid binding protein in complex with 11-(Dansylamino)undecanoic acid
To be Published
3WNG
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BU of 3wng by Molmil
Cyclic hexapeptide PKIDNp in complex with HIV-1 integrase
分子名称: CADMIUM ION, CHLORIDE ION, Gag-Pol polyprotein, ...
著者Wielens, J, Chalmers, D.K, Parker, M.W.
登録日2013-12-09
公開日2013-12-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Hexapeptide mimetics of LEDGF in complex with HIV-1 integrase
to be published
3WNE
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BU of 3wne by Molmil
Cyclic hexapeptide PKIDNG in complex with HIV-1 integrase
分子名称: CADMIUM ION, CHLORIDE ION, Gag-Pol polyprotein, ...
著者Wielens, J, Chalmers, D.K, Parker, M.W.
登録日2013-12-09
公開日2013-12-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Hexapeptide mimetics of LEDGF in complex with HIV-1 integrase
to be published
3WNH
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BU of 3wnh by Molmil
Cyclic hexapeptide PKZDNv in complex with HIV-1 integrase
分子名称: CADMIUM ION, CHLORIDE ION, Gag-Pol polyprotein, ...
著者Wielens, J, Chalmers, D.K, Parker, M.W.
登録日2013-12-10
公開日2013-12-25
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Hexapeptide mimetics of LEDGF in complex with HIV-1 integrase
to be published
3WNF
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BU of 3wnf by Molmil
Cyclic hexapeptide CKIDNC in complex with HIV-1 integrase
分子名称: CADMIUM ION, CHLORIDE ION, CKIDNC peptide, ...
著者Wielens, J, Chalmers, D.K, Parker, M.W.
登録日2013-12-09
公開日2013-12-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Hexapeptide mimetics of LEDGF in complex with HIV-1 integrase
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
2ZNM
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BU of 2znm by Molmil
Oxidoreductase NmDsbA3 from Neisseria meningitidis
分子名称: Thiol:disulfide interchange protein DsbA
著者Vivian, J.P, Scoullar, J, Robertson, A.L, Bottomley, S.P, Horne, J, Chin, Y, Velkov, T, Wielens, J, Thompson, P.E, Piek, S, Byres, E, Beddoe, T, Wilce, M.C.J, Kahler, C, Rossjohn, J, Scanlon, M.J.
登録日2008-04-30
公開日2008-08-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Biochemical Characterization of the Oxidoreductase NmDsbA3 from Neisseria meningitidis
J.Biol.Chem., 283, 2008
3DKS
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BU of 3dks by Molmil
DsbA substrate complex
分子名称: Thiol:disulfide interchange protein dsbA, siga peptide
著者Paxman, J.J, Borg, N.A, Horne, J, Rossjohn, J, Thompson, P.E, Piek, S, Kahler, C.M, Sakellaris, H, Scanlon, M.J.
登録日2008-06-25
公開日2009-05-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure of the bacterial oxidoreductase enzyme DsbA in complex with a peptide reveals a basis for substrate specificity in the catalytic cycle of DsbA enzymes
J.Biol.Chem., 284, 2009
3KM6
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BU of 3km6 by Molmil
Crystal Structure of the Human GST Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate
分子名称: CALCIUM ION, ETHACRYNIC ACID, GLUTATHIONE, ...
著者Parker, L.J.
登録日2009-11-10
公開日2010-03-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Diuretic drug binding to human glutathione transferase P1-1: potential role of Cys-101 revealed in the double mutant C47S/Y108V.
J.Mol.Recognit., 24
3KMO
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BU of 3kmo by Molmil
Crystal Structure of the Human GST Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent DTT)
分子名称: CALCIUM ION, ETHACRYNIC ACID, GLUTATHIONE, ...
著者Parker, L.J.
登録日2009-11-11
公開日2010-03-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Diuretic drug binding to human glutathione transferase P1-1: potential role of CYS101 revealed in the double mutant C47S/Y108V
To be Published
3KMN
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BU of 3kmn by Molmil
Crystal Structure of the Human Apo GST Pi C47S/Y108V Double Mutant
分子名称: CALCIUM ION, CARBONATE ION, Glutathione S-transferase P, ...
著者Parker, L.J.
登録日2009-11-11
公開日2010-03-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Diuretic drug binding to human glutathione transferase P1-1: potential role of CYS101 revealed in the double mutant C47S/Y108V
to be published
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