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4G1Z
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BU of 4g1z by Molmil
Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
Descriptor: 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Ciesielski, F, Sato, Y, Moras, D, Rochel, N.
Deposit date:2012-07-11
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4GF9
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BU of 4gf9 by Molmil
Structural insights into the dual strategy of recognition of peptidoglycan recognition protein, PGRP-S: ternary complex of PGRP-S with LPS and fatty acid
Descriptor: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, GLYCEROL, Peptidoglycan recognition protein 1, ...
Authors:Sharma, P, Dube, D, Sinha, M, Yadav, S, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2012-08-03
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the dual strategy of recognition by peptidoglycan recognition protein, PGRP-S: structure of the ternary complex of PGRP-S with lipopolysaccharide and stearic acid.
Plos One, 8, 2013
4GLU
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BU of 4glu by Molmil
Crystal structure of the mirror image form of VEGF-A
Descriptor: ACETATE ION, D- Vascular endothelial growth factor-A, GLYCEROL, ...
Authors:Mandal, K, Uppalapati, M, Ault-Riche, D, Kenney, J, Lowitz, J, Sidhu, S, Kent, S.B.H.
Deposit date:2012-08-14
Release date:2012-09-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Chemical synthesis and X-ray structure of a heterochiral {D-protein antagonist plus vascular endothelial growth factor} protein complex by racemic crystallography.
Proc.Natl.Acad.Sci.USA, 109, 2012
4G2H
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BU of 4g2h by Molmil
Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
Descriptor: (3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Ciesielski, F, Sato, Y, Moras, D, Rochel, N.
Deposit date:2012-07-12
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
4GJU
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BU of 4gju by Molmil
5-Methylcytosine modified DNA oligomer
Descriptor: 5-Methylcytosine modified DNA oligomer, MAGNESIUM ION
Authors:Spingler, B, Renciuk, D, Vorlickova, M.
Deposit date:2012-08-10
Release date:2013-08-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.412 Å)
Cite:Crystal structures of B-DNA dodecamer containing the epigenetic modifications 5-hydroxymethylcytosine or 5-methylcytosine.
Nucleic Acids Res., 41, 2013
4GJR
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BU of 4gjr by Molmil
Crystal structure of the TAL effector dHax3 bound to methylated dsDNA
Descriptor: DNA (5'-D(*AP*GP*GP*GP*AP*GP*GP*TP*AP*GP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*(5CM)P*TP*AP*(5CM)P*CP*TP*CP*(5CM)P*CP*T)-3'), Hax3
Authors:Yan, N, Deng, D, Yan, C.Y, Yin, P, Pan, X.J, Shi, Y.G.
Deposit date:2012-08-10
Release date:2012-10-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of a protein complex
To be Published
4GG4
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BU of 4gg4 by Molmil
Crystal structure of the TAL effector dHax3 bound to specific DNA-RNA hybrid
Descriptor: DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3, RNA (5'-R(*AP*GP*AP*GP*AP*GP*AP*UP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3')
Authors:Yin, P, Deng, D, Yan, C.Y, Pan, X.J, Yan, N, Shi, Y.G.
Deposit date:2012-08-05
Release date:2012-10-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Specific DNA-RNA hybrid recognition by TAL effectors
Cell Rep, 2, 2012
4GM3
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BU of 4gm3 by Molmil
Crystal structure of human WD repeat domain 5 with compound MM-101
Descriptor: MM-101, WD repeat-containing protein 5
Authors:Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S.
Deposit date:2012-08-15
Release date:2013-07-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.393 Å)
Cite:High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction.
J.Am.Chem.Soc., 135, 2013
4GLC
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BU of 4glc by Molmil
DNA dodecamer containing 5-hydroxymethyl-cytosine
Descriptor: DNA (5'-D(*CP*GP*(5HC)P*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Spingler, B, Renciuk, D, Vorlickova, M.
Deposit date:2012-08-14
Release date:2013-08-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.831 Å)
Cite:Crystal structures of B-DNA dodecamer containing the epigenetic modifications 5-hydroxymethylcytosine or 5-methylcytosine.
Nucleic Acids Res., 41, 2013
4GLS
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BU of 4gls by Molmil
Crystal Structure of Chemically Synthesized Heterochiral {D-Protein Antagonist plus VEGF-A} Protein Complex in space group P21
Descriptor: D- RFX001, D- Vascular endothelial growth factor-A, DI(HYDROXYETHYL)ETHER, ...
Authors:Mandal, K, Uppalapati, M, Ault-Riche, D, Kenney, J, Lowitz, J, Sidhu, S, Kent, S.B.H.
Deposit date:2012-08-14
Release date:2012-09-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Chemical synthesis and X-ray structure of a heterochiral {D-protein antagonist plus vascular endothelial growth factor} protein complex by racemic crystallography.
Proc.Natl.Acad.Sci.USA, 109, 2012
4H0E
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BU of 4h0e by Molmil
Crystal Structure of mutant ORR3 in complex with NTD of AraR
Descriptor: 5'-D(*AP*AP*AP*TP*TP*TP*GP*TP*CP*CP*GP*TP*AP*CP*AP*TP*TP*TP*TP*AP*T)-3', 5'-D(*TP*AP*TP*AP*AP*AP*AP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*AP*AP*TP*T)-3', ACETATE ION, ...
Authors:Nair, D.T, Jain, D.
Deposit date:2012-09-08
Release date:2013-02-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Spacing between core recognition motifs determines relative orientation of AraR monomers on bipartite operators.
Nucleic Acids Res., 41, 2013
4H0J
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BU of 4h0j by Molmil
Mutant M58C of Nostoc sp Cytochrome c6
Descriptor: Cytochrome c6, HEME C
Authors:Pannu, N.S, Skubak, P, Ubbink, M, Cavazzini, D, Rossi, G.L.
Deposit date:2012-09-08
Release date:2013-09-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The dynamic complex of cytochrome c6 and cytochrome f studied with paramagnetic NMR spectroscopy
Biochim.Biophys.Acta, 1837, 2014
4GPK
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BU of 4gpk by Molmil
Crystal structure of NprR in complex with its cognate peptide NprX
Descriptor: NprR, NprX peptide
Authors:Zouhir, S, Guimaraes, B, Perchat, S, Nicaise, M, Lereclus, D, Nessler, S.
Deposit date:2012-08-21
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Peptide-binding dependent conformational changes regulate the transcriptional activity of the quorum-sensor NprR.
Nucleic Acids Res., 41, 2013
7ZRI
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BU of 7zri by Molmil
Cryo-EM structure of the KdpFABC complex in a nucleotide-free E1 conformation loaded with K+
Descriptor: CARDIOLIPIN, POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, ...
Authors:Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Stansfeld, P.J, Haenelt, I, Paulino, C.
Deposit date:2022-05-04
Release date:2022-11-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Inhibited KdpFABC transitions into an E1 off-cycle state.
Elife, 11, 2022
7ZG7
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BU of 7zg7 by Molmil
Structure of human Apoferritin obtained from ssDNA coated grid
Descriptor: Ferritin heavy chain, SODIUM ION, ZINC ION
Authors:Hrebik, D, Plevka, P.
Deposit date:2022-04-02
Release date:2022-11-23
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (1.77 Å)
Cite:Polyelectrolyte coating of cryo-EM grids improves lateral distribution and prevents aggregation of macromolecules.
Acta Crystallogr D Struct Biol, 78, 2022
7ZJ3
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BU of 7zj3 by Molmil
Structure of TRIM2 RING domain in complex with UBE2D1~Ub conjugate
Descriptor: Polyubiquitin-C, Tripartite motif-containing protein 2, Ubiquitin-conjugating enzyme E2 D1, ...
Authors:Esposito, D, Garza-Garcia, A, Dudley-Fraser, J, Rittinger, K.
Deposit date:2022-04-08
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Divergent self-association properties of paralogous proteins TRIM2 and TRIM3 regulate their E3 ligase activity.
Nat Commun, 13, 2022
8A5Q
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BU of 8a5q by Molmil
Structure of Arp4-Ies4-N-actin-Arp8-Ino80HSA subcomplex (A-module) of Chaetomium thermophilum INO80 on straight DNA
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin related protein 4 (Arp4), ...
Authors:Kunert, F, Metzner, F.J, Eustermann, S, Jung, J, Woike, S, Schall, K, Kostrewa, D, Hopfner, K.P.
Deposit date:2022-06-15
Release date:2022-12-14
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural mechanism of extranucleosomal DNA readout by the INO80 complex.
Sci Adv, 8, 2022
8A5P
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BU of 8a5p by Molmil
Structure of Arp4-Ies4-N-actin-Arp8-Ino80HSA subcomplex (A-module) of Chaetomium thermophilum INO80 on curved DNA
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin related protein 4 (Arp4), ...
Authors:Kunert, F, Metzner, F.J, Eustermann, S, Jung, J, Woike, S, Schall, K, Kostrewa, D, Hopfner, K.P.
Deposit date:2022-06-15
Release date:2022-12-14
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural mechanism of extranucleosomal DNA readout by the INO80 complex.
Sci Adv, 8, 2022
8A5A
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BU of 8a5a by Molmil
Structure of Arp4-Ies4-N-actin-Arp8-Ino80HSA subcomplex (A-module) of INO80
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-like protein ARP8, ...
Authors:Kunert, F, Metzner, F.J, Eustermann, S, Jung, J, Woike, S, Schall, K, Kostrewa, D, Hopfner, K.P.
Deposit date:2022-06-14
Release date:2022-12-14
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural mechanism of extranucleosomal DNA readout by the INO80 complex.
Sci Adv, 8, 2022
8A5O
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BU of 8a5o by Molmil
Structure of Arp4-Ies4-N-actin-Arp8-Ino80HSA subcomplex (A-module) of S. cerevisiae INO80
Descriptor: Actin, Actin-like protein ARP8, Actin-related protein 4, ...
Authors:Kunert, F, Metzner, F.J, Eustermann, S, Jung, J, Woike, S, Schall, K, Kostrewa, D, Hopfner, K.P.
Deposit date:2022-06-15
Release date:2022-12-14
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural mechanism of extranucleosomal DNA readout by the INO80 complex.
Sci Adv, 8, 2022
8A5D
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BU of 8a5d by Molmil
Structure of Arp4-Ies4-N-actin-Arp8-Ino80HSA subcomplex (A-module) of Chaetomium thermophilum INO80
Descriptor: Actin, Actin related protein 4 (Arp4), Actin-related protein 8, ...
Authors:Kunert, F, Metzner, F.J, Eustermann, S, Jung, J, Woike, S, Schall, K, Kostrewa, D, Hopfner, K.P.
Deposit date:2022-06-14
Release date:2022-12-28
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural mechanism of extranucleosomal DNA readout by the INO80 complex.
Sci Adv, 8, 2022
8A6I
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BU of 8a6i by Molmil
Structure of the low complexity domain of TDP-43 (fragment 309-350) with methionine sulfoxide modifications
Descriptor: TAR DNA-binding protein 43
Authors:Carrasco, J, Anton, R, Pantoja-Uceda, D, Laurents, D.V, Oroz, J.
Deposit date:2022-06-17
Release date:2023-02-08
Method:SOLUTION NMR
Cite:Metamorphism in TDP-43 prion-like domain determines chaperone recognition.
Nat Commun, 14, 2023
7ZHC
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BU of 7zhc by Molmil
Moss spermine/spermidine acetyl transferase (PpSSAT) in complex with AcetylCoA and polyethylen glycol
Descriptor: ACETYL COENZYME *A, GLYCEROL, N-acetyltransferase domain-containing protein, ...
Authors:Morera, S, Kopecny, D, Vigouroux, A.
Deposit date:2022-04-06
Release date:2023-03-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.819 Å)
Cite:Biochemical and structural basis of polyamine, lysine and ornithine acetylation catalyzed by spermine/spermidine N-acetyl transferase in moss and maize.
Plant J., 114, 2023
7ZKT
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BU of 7zkt by Molmil
Moss spermine/spermidine acetyl transferase (PpSSAT) in complex with CoA and lysine
Descriptor: 1,2-ETHANEDIOL, COENZYME A, LYSINE, ...
Authors:Morera, S, Kopecny, D, Vigouroux, A, Briozzo, P.
Deposit date:2022-04-13
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Biochemical and structural basis of polyamine, lysine and ornithine acetylation catalyzed by spermine/spermidine N-acetyl transferase in moss and maize.
Plant J., 114, 2023
7ZT0
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BU of 7zt0 by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
Descriptor: 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Snee, M, Katariya, M, Levy, C, Leys, D.
Deposit date:2022-05-09
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023

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