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PDB: 39 results

1TJZ
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Solution Structure of the Active Site Stem-Loop of the VS Ribozyme
Descriptor: VS Ribozyme
Authors:Flinders, J, Dieckmann, T.
Deposit date:2004-06-07
Release date:2004-09-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structure of the VS ribozyme active site loop reveals a dynamic "hot-spot"
J.Mol.Biol., 341, 2004
1Z2T
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NMR structure study of anchor peptide Ser65-Leu87 of enzyme acholeplasma laidlawii Monoglycosyldiacyl Glycerol Synthase (alMGS) in DHPC micelles
Descriptor: Anchor peptide Ser65-Leu87 of alMGS
Authors:Lind, J, Barany-Wallje, E, Ramo, T, Wieslander, A, Maler, L.
Deposit date:2005-03-09
Release date:2006-03-21
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure, position of and membrane-interaction of a putative membrane-anchoring domain of alMGS
To be Published
6NUJ
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HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor BI-224436
Descriptor: (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, Integrase
Authors:Lindenberger, J.J, Kvaratskhelia, M.
Deposit date:2019-02-01
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.100027 Å)
Cite:HIV-1 integrase tetramers are the antiviral target of pyridine-based allosteric integrase inhibitors.
Elife, 8, 2019
6EB1
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HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid
Descriptor: (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid, Integrase
Authors:Lindenberger, J.J, Kobe, M, Kvaratskhelia, M.
Deposit date:2018-08-03
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors.
ACS Med Chem Lett, 10, 2019
6EB2
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HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid
Descriptor: (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid, Integrase
Authors:Lindenberger, J.J, Kobe, M, Kvaratskhelia, M.
Deposit date:2018-08-03
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors.
ACS Med Chem Lett, 10, 2019
8FX9
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BU of 8fx9 by Molmil
Crystal strucutre of Mycobacterium tuberculosis Mycothiol-S-transferase enzyme
Descriptor: CHLORIDE ION, Mycothiol-S-transferase
Authors:Lindenberger, J.J, Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2023-01-24
Release date:2023-04-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
6PU1
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BU of 6pu1 by Molmil
Cysteine stabilized hexameric HIV-1 CA in complex with SEC24C peptide
Descriptor: CHLORIDE ION, Gag polyprotein, IODIDE ION, ...
Authors:Lindenberger, J.J, Kvaratskhelia, M.
Deposit date:2019-07-16
Release date:2021-01-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Cysteine stabilized hexameric HIV-1 CA in complex with SEC24C peptide
To Be Published
8GDO
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BU of 8gdo by Molmil
Crystal structure of DH1010 Fab
Descriptor: DH1010 Fab Heavy Chain, DH1010 Fab Light chain
Authors:Lindenberger, J, Acharya, P.
Deposit date:2023-03-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of DH1010 Fab
To Be Published
7KE0
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BU of 7ke0 by Molmil
HIV-1 Integrase catalytic core domain complexed with allosteric inhibitor STP03-0404
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Lindenberger, J.J, Kvaratskhelia, M.
Deposit date:2020-10-09
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:A highly potent and safe pyrrolopyridine-based allosteric HIV-1 integrase inhibitor targeting host LEDGF/p75-integrase interaction site.
Plos Pathog., 17, 2021
1HWQ
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BU of 1hwq by Molmil
SOLUTION STRUCTURE OF THE VS RIBOZYME SUBSTRATE STEM-LOOP
Descriptor: VS RIBOZYME SUBSTRATE RNA
Authors:Flinders, J.C, Dieckmann, T.
Deposit date:2001-01-09
Release date:2001-05-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A pH controlled conformational switch in the cleavage site of the VS ribozyme substrate RNA.
J.Mol.Biol., 308, 2001
1Q8N
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BU of 1q8n by Molmil
Solution Structure of the Malachite Green RNA Binding Aptamer
Descriptor: MALACHITE GREEN, RNA Aptamer
Authors:Flinders, J, DeFina, S.C, Brackett, D.M, Baugh, C, Wilson, C, Dieckmann, T.
Deposit date:2003-08-21
Release date:2004-03-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex.
Chembiochem, 5, 2004
1JQS
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Fitting of L11 protein and elongation factor G (domain G' and V) in the cryo-em map of E. coli 70S ribosome bound with EF-G and GMPPCP, a nonhydrolysable GTP analog
Descriptor: 50S Ribosomal protein L11, Elongation Factor G
Authors:Agrawal, R.K, Linde, J, Segupta, J, Nierhaus, K.H, Frank, J.
Deposit date:2001-08-07
Release date:2001-09-07
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (18 Å)
Cite:Localization of L11 protein on the ribosome and elucidation of its involvement in EF-G-dependent translocation.
J.Mol.Biol., 311, 2001
1JQT
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BU of 1jqt by Molmil
Fitting of L11 protein in the low resolution cryo-EM map of E.coli 70S ribosome
Descriptor: 50S Ribosomal protein L11
Authors:Agrawal, R.K, Linde, J, Segupta, J, Nierhaus, K.H, Frank, J.
Deposit date:2001-08-07
Release date:2001-09-07
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (18 Å)
Cite:Localization of L11 protein on the ribosome and elucidation of its involvement in EF-G-dependent translocation.
J.Mol.Biol., 311, 2001
1MVR
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BU of 1mvr by Molmil
Decoding Center & Peptidyl transferase center from the X-ray structure of the Thermus thermophilus 70S ribosome, aligned to the low resolution Cryo-EM map of E.coli 70S Ribosome
Descriptor: 30S RIBOSOMAL PROTEIN S12, 50S ribosomal protein L11, Helix 34 of 16S rRNA, ...
Authors:Rawat, U.B, Zavialov, A.V, Sengupta, J, Valle, M, Grassucci, R.A, Linde, J, Vestergaard, B, Ehrenberg, M, Frank, J.
Deposit date:2002-09-26
Release date:2003-04-01
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (12.8 Å)
Cite:A cryo-electron microscopic study of ribosome-bound termination factor RF2
Nature, 421, 2003
1MI6
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BU of 1mi6 by Molmil
Docking of the modified RF2 X-ray structure into the Low Resolution Cryo-EM map of RF2 E.coli 70S Ribosome
Descriptor: peptide chain release factor RF-2
Authors:Rawat, U.B.S, Zavialov, A.V, Sengupta, J, Valle, M, Grassucci, R.A, Linde, J, Vestergaard, B, Ehrenberg, M, Frank, J.
Deposit date:2002-08-22
Release date:2003-01-14
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (12.8 Å)
Cite:A cryo-electron microscopic study of ribosome-bound termination factor RF2
Nature, 421, 2003
1JQM
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BU of 1jqm by Molmil
Fitting of L11 protein and elongation factor G (EF-G) in the cryo-em map of e. coli 70S ribosome bound with EF-G, GDP and fusidic acid
Descriptor: 50S Ribosomal protein L11, Elongation Factor G
Authors:Agrawal, R.K, Linde, J, Segupta, J, Nierhaus, K.H, Frank, J.
Deposit date:2001-08-07
Release date:2001-09-07
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (18 Å)
Cite:Localization of L11 protein on the ribosome and elucidation of its involvement in EF-G-dependent translocation.
J.Mol.Biol., 311, 2001
2L7C
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BU of 2l7c by Molmil
Biophysical studies of lipid interacting regions of DGD2 in Arabidopsis thaliana
Descriptor: Digalactosyldiacylglycerol synthase 2, chloroplastic
Authors:Szpryngiel, S, Ge, C, Iakovleva, I, Lind, J, Wieslander, A, Maler, L.
Deposit date:2010-12-07
Release date:2011-10-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Lipid interacting regions in phosphate stress glycosyltransferase atDGD2 from Arabidopsis thaliana.
Biochemistry, 50, 2011
2K44
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BU of 2k44 by Molmil
Solution structure of a K+-channel voltage-sensor paddle domain
Descriptor: K+-channel voltage-sensor paddle domain of Calcium-activated potassium channel subunit alpha-1
Authors:Unnerstale, S, Lind, J, Papadopoulos, E, Maler, L.
Deposit date:2008-05-28
Release date:2009-06-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the HsapBK K+-channel voltage-sensor paddle sequence
Biochemistry, 2009
4UMQ
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BU of 4umq by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-20
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4UMT
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Structure of MELK in complex with inhibitors
Descriptor: 1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium, DIMETHYL SULFOXIDE, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-21
Release date:2014-10-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase.
Acs Med.Chem.Lett., 6, 2015
4UMU
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BU of 4umu by Molmil
Structure of MELK in complex with inhibitors
Descriptor: (2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-21
Release date:2014-10-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase.
Acs Med.Chem.Lett., 6, 2015
4UMP
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BU of 4ump by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 3-(isoquinolin-7-yl)prop-2-yn-1-ol, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-20
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4UMR
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BU of 4umr by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-20
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4U31
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BU of 4u31 by Molmil
Sco GlgEI-V279S in Complex with maltose-C-phosphonate
Descriptor: 1,2-ETHANEDIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, CITRIC ACID, ...
Authors:Ronning, D.R, Lindenberger, J.J.
Deposit date:2014-07-18
Release date:2015-07-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors.
Sci Rep, 5, 2015
4U3C
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BU of 4u3c by Molmil
Docking Site of Maltohexaose in the Mtb GlgE
Descriptor: Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Ronning, D.R, Lindenberger, J.J.
Deposit date:2014-07-19
Release date:2015-07-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.98 Å)
Cite:Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors.
Sci Rep, 5, 2015

 

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