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3AO1
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BU of 3ao1 by Molmil
Fragment-based approach to the design of ligands targeting a novel site in HIV-1 integrase
Descriptor: 1,3-benzodioxol-5-ol, CADMIUM ION, POL polyprotein, ...
Authors:Wielens, J, Parker, M.W, Chalmers, D.K, Scanlon, M.J.
Deposit date:2010-09-17
Release date:2011-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
3AO3
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BU of 3ao3 by Molmil
Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase
Descriptor: 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, CADMIUM ION, CHLORIDE ION, ...
Authors:Wielens, J, Headey, S.J, Parker, M.W, Chalmers, D.K, Scanlon, M.J.
Deposit date:2010-09-20
Release date:2011-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
3AO2
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BU of 3ao2 by Molmil
Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase
Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine, ...
Authors:Wielens, J, Chalmers, D.K, Headey, S.J, Parker, M.W, Scanlon, M.J.
Deposit date:2010-09-20
Release date:2011-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
3AO5
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BU of 3ao5 by Molmil
Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase
Descriptor: 5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-3-amine, CADMIUM ION, CHLORIDE ION, ...
Authors:Wielens, J, Headey, S.J, Parker, M.W, Chalmers, D.K, Scanlon, M.J.
Deposit date:2010-09-21
Release date:2011-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
3AO4
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BU of 3ao4 by Molmil
Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase
Descriptor: 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine, CADMIUM ION, CHLORIDE ION, ...
Authors:Wielens, J, Headey, S.J, Parker, M.W, Chalmers, D.K, Scanlon, M.J.
Deposit date:2010-09-20
Release date:2011-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
3OVN
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BU of 3ovn by Molmil
Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase
Descriptor: 1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine, CADMIUM ION, POL polyprotein, ...
Authors:Wielens, J, Chalmers, D.K, Headey, S.J, Deadman, J.J, Rhodes, D.K, Parker, M.W, Scanlon, M.J.
Deposit date:2010-09-16
Release date:2011-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
3WNE
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BU of 3wne by Molmil
Cyclic hexapeptide PKIDNG in complex with HIV-1 integrase
Descriptor: CADMIUM ION, CHLORIDE ION, Gag-Pol polyprotein, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W.
Deposit date:2013-12-09
Release date:2013-12-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Hexapeptide mimetics of LEDGF in complex with HIV-1 integrase
to be published
4Y1C
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BU of 4y1c by Molmil
Cyclic hexapeptide cyc[NdPopPKID] in complex with HIV-1 integrase core domain
Descriptor: CADMIUM ION, Cyclic hexapeptide cyc[NdPopPKID], Integrase, ...
Authors:Wielens, J, Chalmers, D.K.
Deposit date:2015-02-07
Release date:2015-02-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: CADMIUM ION, CHLORIDE ION, Cyclic hexapeptide cyc[NdPopPKID], ...
Authors:Wielens, J, Chalmers, D.K.
Deposit date:2015-02-07
Release date:2015-05-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:HEXAPEPTIDE MIMETICS OF LEDGF IN COMPLEX WITH HIV-1 INTEGRASE
To Be Published
5EK8
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BU of 5ek8 by Molmil
Crystal structure of a 9R-lipoxygenase from Cyanothece PCC8801 at 2.7 Angstroms
Descriptor: FE (II) ION, Lipoxygenase, SODIUM ION
Authors:Feussner, I, Ficner, R, Neumann, P, Newie, J, Andreou, A, Einsle, O.
Deposit date:2015-11-03
Release date:2015-12-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of a lipoxygenase from Cyanothece sp. may reveal novel features for substrate acquisition.
J.Lipid Res., 57, 2016
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
Descriptor: 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid, Fatty acid-binding protein, intestinal
Authors:Wielens, J, Laguerre, A.J.K, Parker, M.W, Scanlon, M.J.
Deposit date:2010-07-14
Release date:2011-07-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of human and rat intestinal fatty acid binding protein in complex with 11-(Dansylamino)undecanoic acid
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
Descriptor: 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid, Fatty acid-binding protein, intestinal, ...
Authors:Wielens, J, Laguerre, A.J.K, Parker, M.W, Scanlon, M.J.
Deposit date:2010-07-14
Release date:2011-07-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of human and rat intestinal fatty acid binding proteins in complex with 11-(Dansylamino)undecanoic acid
To be Published
3WNH
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BU of 3wnh by Molmil
Cyclic hexapeptide PKZDNv in complex with HIV-1 integrase
Descriptor: CADMIUM ION, CHLORIDE ION, Gag-Pol polyprotein, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W.
Deposit date:2013-12-10
Release date:2013-12-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: CADMIUM ION, CHLORIDE ION, CKIDNC peptide, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W.
Deposit date:2013-12-09
Release date:2013-12-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Hexapeptide mimetics of LEDGF in complex with HIV-1 integrase
to be published
3WNG
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BU of 3wng by Molmil
Cyclic hexapeptide PKIDNp in complex with HIV-1 integrase
Descriptor: CADMIUM ION, CHLORIDE ION, Gag-Pol polyprotein, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W.
Deposit date:2013-12-09
Release date:2013-12-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Hexapeptide mimetics of LEDGF in complex with HIV-1 integrase
to be published
5W3S
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BU of 5w3s by Molmil
Cryo-electron microscopy structure of a TRPML3 ion channel
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL HEMISUCCINATE, Mucolipin-3 isoform 1, ...
Authors:Hirschi, M, Herzik, M.A, Wie, J, Suo, Y, Borschel, W.F, Ren, D, Lander, G.C, Lee, S.Y.
Deposit date:2017-06-08
Release date:2017-10-11
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Cryo-electron microscopy structure of the lysosomal calcium-permeable channel TRPML3.
Nature, 550, 2017
1K5H
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BU of 1k5h by Molmil
1-deoxy-D-xylulose-5-phosphate reductoisomerase
Descriptor: 1-deoxy-D-xylulose-5-phosphate reductoisomerase
Authors:Reuter, K, Sanderbrand, S, Jomaa, H, Wiesner, J, Steinbrecher, I, Beck, E, Hintz, M, Klebe, G, Stubbs, M.T.
Deposit date:2001-10-10
Release date:2002-02-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of 1-deoxy-D-xylulose-5-phosphate reductoisomerase, a crucial enzyme in the non-mevalonate pathway of isoprenoid biosynthesis.
J.Biol.Chem., 277, 2002
2VVI
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BU of 2vvi by Molmil
IrisFP fluorescent protein in its green form, trans conformation
Descriptor: Green to red photoconvertible GFP-like protein EosFP, SULFATE ION, SULFITE ION
Authors:Adam, V, Lelimousin, M, Boehme, S, Desfonds, G, Nienhaus, K, Field, M.J, Wiedenmann, J, McSweeney, S, Nienhaus, G.U, Bourgeois, D.
Deposit date:2008-06-09
Release date:2008-11-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of Irisfp, an Optical Highlighter Undergoing Multiple Photo-Induced Transformations.
Proc.Natl.Acad.Sci.USA, 105, 2008
2VXJ
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BU of 2vxj by Molmil
CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH AGAL13BGAL14GLC AT 1.9 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, PA-I GALACTOPHILIC LECTIN, ...
Authors:Blanchard, B, Nurisso, A, Hollville, E, Tetaud, C, Wiels, J, Pokorna, M, Wimmerova, M, Varrot, A, Imberty, A.
Deposit date:2008-07-04
Release date:2008-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis of the Preferential Binding for Globo-Series Glycosphingolipids Displayed by Pseudomonas Aeruginosa Lectin I.
J.Mol.Biol., 383, 2008
2VVH
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BU of 2vvh by Molmil
IrisFP fluorescent protein in its green form, cis conformation
Descriptor: Green to red photoconvertible GFP-like protein EosFP, SULFATE ION, SULFITE ION
Authors:Adam, V, Lelimousin, M, Boehme, S, Desfonds, G, Nienhaus, K, Field, M.J, Wiedenmann, J, McSweeney, S, Nienhaus, G.U, Bourgeois, D.
Deposit date:2008-06-09
Release date:2008-11-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Characterization of Irisfp, an Optical Highlighter Undergoing Multiple Photo-Induced Transformations.
Proc.Natl.Acad.Sci.USA, 105, 2008
3E5W
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BU of 3e5w by Molmil
Crystal Structure Analysis of FP611
Descriptor: Red fluorescent protein eqFP611
Authors:Nienhaus, K, Nar, H, Heilker, R, Wiedenmann, J, Nienhaus, G.U.
Deposit date:2008-08-14
Release date:2008-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Trans-cis isomerization is responsible for the red-shifted fluorescence in variants of the red fluorescent protein eqFP611.
J.Am.Chem.Soc., 130, 2008
1T1S
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BU of 1t1s by Molmil
Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MAGNESIUM ION, SULFATE ION, ...
Authors:Yajima, S, Hara, K, Sanders, J.M, Yin, F, Ohsawa, K, Wiesner, J, Jomaa, H, Oldfield, E.
Deposit date:2004-04-17
Release date:2004-09-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic Structures of Two Bisphosphonate:1-Deoxyxylulose-5-Phosphate Reductoisomerase Complexes
J.Am.Chem.Soc., 126, 2004
2ZNM
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BU of 2znm by Molmil
Oxidoreductase NmDsbA3 from Neisseria meningitidis
Descriptor: Thiol:disulfide interchange protein DsbA
Authors: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.
Deposit date:2008-04-30
Release date:2008-08-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Biochemical Characterization of the Oxidoreductase NmDsbA3 from Neisseria meningitidis
J.Biol.Chem., 283, 2008
3CFF
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BU of 3cff by Molmil
Photoswitchable red fluorescent protein psRFP, on-state
Descriptor: GFP-like photoswitchable fluorescent protein
Authors:Kachalova, G.S, Gundel, S, Bartunik, H.D, Wiedenmann, J.
Deposit date:2008-03-03
Release date:2009-03-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of Anemonia sulcata red fluorescent protein asRFP
To be Published
3CFH
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BU of 3cfh by Molmil
Photoswitchable red fluorescent protein psRFP, off-state
Descriptor: GFP-like photoswitchable fluorescent protein
Authors:Kachalova, G.S, Gundel, S, Bartunik, H.D, Wiedenmann, J.
Deposit date:2008-03-03
Release date:2009-03-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of red fluorescent protein asRFP
To be Published

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