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4Z45
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BU of 4z45 by Molmil
Structure of OBP3 from the currant-lettuce aphid Nasonovia ribisnigri
Descriptor: Odorant-binding protein NribOBP3
Authors:Northey, T, Venthur, H, De Biasio, F, Chauviac, F.-X, Cole, A.R, Field, L.M, Zhou, J.-J, Keep, N.H.
Deposit date:2015-04-01
Release date:2016-04-13
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal Structures and Binding Dynamics of Odorant-Binding Protein 3 from two aphid species Megoura viciae and Nasonovia ribisnigri.
Sci Rep, 6, 2016
2LXG
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BU of 2lxg by Molmil
NMR solution structure of Mu-conotoxin KIIIA
Descriptor: Mu-conotoxin KIIIA
Authors:Khoo, K.K, Norton, R.S.
Deposit date:2012-08-21
Release date:2013-02-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Distinct disulfide isomers of mu-conotoxins KIIIA and KIIIB block voltage-gated sodium channels.
Biochemistry, 51, 2012
4Z7I
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BU of 4z7i by Molmil
Crystal structure of insulin regulated aminopeptidase in complex with ligand
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DG025 transition-state analogue enzyme inhibitor, ...
Authors:Mpakali, A, Saridakis, E, Harlos, K, Zhao, Y, Stratikos, E.
Deposit date:2015-04-07
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Crystal Structure of Insulin-Regulated Aminopeptidase with Bound Substrate Analogue Provides Insight on Antigenic Epitope Precursor Recognition and Processing.
J Immunol., 195, 2015
6HJ2
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BU of 6hj2 by Molmil
Crystal structure of hPXR in complex with dabrafenib
Descriptor: Dabrafenib, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2
Authors:Granell, M, Delfosse, V, Bourguet, W.
Deposit date:2018-08-31
Release date:2020-03-25
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure-Based and Knowledge-Informed Design of B-Raf Inhibitors Devoid of Deleterious PXR Binding.
J.Med.Chem., 65, 2022
2XFV
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BU of 2xfv by Molmil
Structure of the amino-terminal domain from the cell-cycle regulator Swi6
Descriptor: ACETATE ION, CACODYLATE ION, CALCIUM ION, ...
Authors:Smerdon, S.J, Goldstone, D.C, Taylor, I.A.
Deposit date:2010-05-27
Release date:2010-06-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Amino-Terminal Domain from the Cell-Cycle Regulator Swi6S
Proteins, 78, 2010
6C3G
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BU of 6c3g by Molmil
AMYLOID FORMING PEPTIDE KALGIS FROM TRANSTHYRETIN
Descriptor: GLYCEROL, LYS-ALA-LEU-GLY-ILE-SER, SULFATE ION
Authors:Saelices, L, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2018-01-09
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal structures of amyloidogenic segments of human transthyretin.
Protein Sci., 27, 2018
4YG4
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BU of 4yg4 by Molmil
HipB-O1-O1* complex
Descriptor: Antitoxin HipB, DNA (28-MER), DNA (5'-D(*AP*TP*AP*TP*CP*CP*CP*CP*TP*TP*AP*AP*GP*GP*GP*GP*AP*TP*AP*A)-3')
Authors:Schumacher, M.A.
Deposit date:2015-02-25
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:HipBA-promoter structures reveal the basis of heritable multidrug tolerance.
Nature, 524, 2015
4YG7
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BU of 4yg7 by Molmil
Structure of FL autorepression promoter complex
Descriptor: Antitoxin HipB, DNA (50-MER), Serine/threonine-protein kinase HipA
Authors:Schumacher, M.A.
Deposit date:2015-02-25
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.77 Å)
Cite:HipBA-promoter structures reveal the basis of heritable multidrug tolerance.
Nature, 524, 2015
5W4W
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BU of 5w4w by Molmil
Identification and Profiling of a Selective and Brain Penetrant Radioligand for In Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors
Descriptor: 4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-6-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Casein kinase I isoform delta, SULFATE ION
Authors:Liu, S.
Deposit date:2017-06-13
Release date:2017-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Identification and Profiling of a Selective and Brain Penetrant Radioligand for in Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors.
ACS Chem Neurosci, 8, 2017
4XFO
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BU of 4xfo by Molmil
Structure of an amyloid-forming segment TAVVTN from human Transthyretin
Descriptor: Amyloid-forming peptide TAVVTN
Authors:Saelices, L, Sawaya, M, Cascio, D, Eisenberg, D.S.
Deposit date:2014-12-27
Release date:2015-10-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4Z39
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BU of 4z39 by Molmil
Structure of OBP3 from the vetch aphid Megoura viciae
Descriptor: GLYCEROL, Odorant-binding protein, SULFATE ION
Authors:Northey, T, Venthur, H, De Biasio, F, Chauviac, F.-X, Cole, A.R, Field, L.M, Zhou, J.-J, Keep, N.H.
Deposit date:2015-03-31
Release date:2016-04-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structures and Binding Dynamics of Odorant-Binding Protein 3 from two aphid species Megoura viciae and Nasonovia ribisnigri.
Sci Rep, 6, 2016
4Z94
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BU of 4z94 by Molmil
Actin Complex With a Chimera of Tropomodulin-1 and Leiomodin-1 Actin-Binding Site 2
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Rebowski, G, Boczkowska, M, Dominguez, R.
Deposit date:2015-04-09
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:How Leiomodin and Tropomodulin use a common fold for different actin assembly functions.
Nat Commun, 6, 2015
4Z79
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BU of 4z79 by Molmil
Leiomodin-1 Actin-Binding Site 2 (ABS2)
Descriptor: CHLORIDE ION, GLYCEROL, Leiomodin-1 Actin-Binding Site 2 (ABS2), ...
Authors:Rebowski, G, Boczkowska, M, Dominguez, R.
Deposit date:2015-04-06
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:How Leiomodin and Tropomodulin use a common fold for different actin assembly functions.
Nat Commun, 6, 2015
4X1F
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BU of 4x1f by Molmil
Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, Nuclear receptor subfamily 1 group I member 2
Authors:Delfosse, V, Huet, T, Bourguet, W.
Deposit date:2014-11-24
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
2K72
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BU of 2k72 by Molmil
Solution NMR structure of toxin-like potassium channel blocking domain in MMP23
Descriptor: Matrix metalloproteinase-23
Authors:Khoo, K.K, Feng, Z, Norton, R.S.
Deposit date:2008-07-31
Release date:2010-01-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Potassium channel modulation by a toxin domain in matrix metalloprotease 23.
J.Biol.Chem., 285, 2010
3E94
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BU of 3e94 by Molmil
Crystal structure of RXRalpha ligand binding domain in complex with tributyltin and a coactivator fragment
Descriptor: ACETATE ION, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha, ...
Authors:Bourguet, W, Le Maire, A.
Deposit date:2008-08-21
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Activation of RXR-PPAR heterodimers by organotin environmental endocrine disruptors
Embo Rep., 10, 2009
2M6E
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BU of 2m6e by Molmil
NMR solution structure of cis (minor) form of In936 in Methanol
Descriptor: Contryphan-In
Authors:Sonti, R.
Deposit date:2013-03-29
Release date:2013-10-30
Last modified:2022-08-24
Method:SOLUTION NMR
Cite:Conformational diversity in contryphans from Conus venom: cis-trans isomerisation and aromatic/proline interactions in the 23-membered ring of a 7-residue peptide disulfide loop.
Chemistry, 19, 2013
2M6D
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BU of 2m6d by Molmil
NMR solution structure of trans (major) form of In936 in water
Descriptor: Contryphan-In
Authors:Sonti, R.
Deposit date:2013-03-28
Release date:2013-10-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Conformational diversity in contryphans from Conus venom: cis-trans isomerisation and aromatic/proline interactions in the 23-membered ring of a 7-residue peptide disulfide loop.
Chemistry, 19, 2013
2M6C
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BU of 2m6c by Molmil
NMR solution structure of cis (minor) form of In936 in water
Descriptor: Contryphan-In
Authors:Sonti, R.
Deposit date:2013-03-28
Release date:2013-10-30
Last modified:2022-08-24
Method:SOLUTION NMR
Cite:Conformational diversity in contryphans from Conus venom: cis-trans isomerisation and aromatic/proline interactions in the 23-membered ring of a 7-residue peptide disulfide loop.
Chemistry, 19, 2013
6ZS1
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BU of 6zs1 by Molmil
Chaetomium thermophilum CuZn-superoxide dismutase
Descriptor: COPPER (II) ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Papageorgiou, A.C, Mohsin, I.
Deposit date:2020-07-15
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal Structure of a Cu,Zn Superoxide Dismutase From the Thermophilic Fungus Chaetomium thermophilum.
Protein Pept.Lett., 28, 2021
5LVK
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BU of 5lvk by Molmil
Human Lysozyme co-crystallized with [H2Ind][trans-RuCl4(DMSO)(HInd)]
Descriptor: CHLORIDE ION, Lysozyme C, NITRATE ION, ...
Authors:Kurpiewska, K, Szura, A, Lewinski, K.
Deposit date:2016-09-14
Release date:2016-09-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.491 Å)
Cite:Ligand-dependent interaction of anticancer ruthenium complexes with hen egg white lysozyme and human lysozyme
To Be Published
5C97
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BU of 5c97 by Molmil
Insulin regulated aminopeptidase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucyl-cystinyl aminopeptidase, ...
Authors:Mpakali, A, Saridakis, E, Harlos, K, Zhao, Y, Stratikos, E.
Deposit date:2015-06-26
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Crystal Structure of Insulin-Regulated Aminopeptidase with Bound Substrate Analogue Provides Insight on Antigenic Epitope Precursor Recognition and Processing.
J Immunol., 195, 2015
4BNE
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BU of 4bne by Molmil
Pacsin2 Interacts with Membranes and Actin-Filaments
Descriptor: PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 2, SULFATE ION, TRIETHYLENE GLYCOL
Authors:Kostan, J, Salzer, U, Orlova, A, Toeroe, I, Hodnik, V, Schreiner, C, Merilainen, J, Nikki, M, Virtanen, I, Lehto, V.-P, Anderluh, G, Egelman, E.H, Djinovic-Carugo, K.
Deposit date:2013-05-15
Release date:2014-05-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Direct Interaction of Actin Filaments with F-Bar Protein Pacsin2.
Embo Rep., 15, 2014
3FGH
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BU of 3fgh by Molmil
Human mitochondrial transcription factor A box B
Descriptor: CADMIUM ION, CHLORIDE ION, SODIUM ION, ...
Authors:Gangelhoff, T.A, Mungalachetty, P, Nix, J, Churchill, M.E.A.
Deposit date:2008-12-06
Release date:2009-04-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural analysis and DNA binding of the HMG domains of the human mitochondrial transcription factor A
Nucleic Acids Res., 37, 2009
5TKT
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BU of 5tkt by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE
Descriptor: 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2, ...
Authors:Sheriff, S.
Deposit date:2016-10-07
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017

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