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6I14
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BU of 6i14 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 9
Descriptor: 2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, Fascin
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
7QXA
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BU of 7qxa by Molmil
Cryo-EM map of human telomerase-DNA-TPP1 complex (sharpened)
Descriptor: Adrenocortical dysplasia homolog (Mouse), isoform CRA_a, Histone H2A, ...
Authors:Sekne, Z, Ghanim, G.E, van Roon, A.M.M, Nguyen, T.H.D.
Deposit date:2022-01-26
Release date:2022-03-02
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of human telomerase recruitment by TPP1-POT1.
Science, 375, 2022
8HUF
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BU of 8huf by Molmil
B28 in complex with CRM1-Ran-RanBP1
Descriptor: 3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid, BROMIDE ION, CHLORIDE ION, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2022-12-23
Release date:2023-12-27
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Discovery of a Hidden Pocket beneath the NES Groove by Novel Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
7QXB
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BU of 7qxb by Molmil
Cryo-EM map of human telomerase-DNA-TPP1-POT1 complex (sharpened map)
Descriptor: Adrenocortical dysplasia homolog (Mouse), isoform CRA_a, Histone H2A, ...
Authors:Sekne, Z, Ghanim, G.E, van Roon, A.M.M, Nguyen, T.H.D.
Deposit date:2022-01-26
Release date:2022-03-02
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Structural basis of human telomerase recruitment by TPP1-POT1.
Science, 375, 2022
7QWR
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BU of 7qwr by Molmil
Structure of the ribosome-nascent chain containing an ER signal sequence in complex with NAC
Descriptor: 28S rRNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Jomaa, A, Gamerdinger, M, Hsieh, H, Wallisch, A, Chandrasekaran, V, Ulusoy, Z, Scaiola, A, Hegde, R, Shan, S, Ban, N, Deuerling, E.
Deposit date:2022-01-25
Release date:2022-03-09
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Mechanism of signal sequence handover from NAC to SRP on ribosomes during ER-protein targeting.
Science, 375, 2022
6E23
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BU of 6e23 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E22
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BU of 6e22 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
7QWQ
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BU of 7qwq by Molmil
Ternary complex of ribosome nascent chain with SRP and NAC
Descriptor: 28S rRNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Jomaa, A, Gamerdinger, M, Hsieh, H, Wallisch, A, Chandrasekaran, V, Ulusoy, Z, Scaiola, A, Hegde, R, Shan, S, Ban, N, Deuerling, E.
Deposit date:2022-01-25
Release date:2022-03-16
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Mechanism of signal sequence handover from NAC to SRP on ribosomes during ER-protein targeting.
Science, 375, 2022
6B9M
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BU of 6b9m by Molmil
Crystal structure of UHRF1 TTD domain in complex with the polybasic region
Descriptor: E3 ubiquitin-protein ligase UHRF1
Authors:Song, J, Tan, X.
Deposit date:2017-10-10
Release date:2018-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:An Intramolecular Interaction of UHRF1 Reveals Dual Control for Its Histone Association.
Structure, 26, 2018
3VI6
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BU of 3vi6 by Molmil
Crystal Structure of human ribosomal protein L30e
Descriptor: 60S ribosomal protein L30, FORMIC ACID
Authors:Kawaguchi, A, Ose, T, Yao, M, Tanaka, I.
Deposit date:2011-09-21
Release date:2011-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystallization and preliminary X-ray structure analysis of human ribosomal protein L30e
Acta Crystallogr.,Sect.F, 67, 2011
6BAX
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BU of 6bax by Molmil
Lactate Dehydrogenase in complex with inhibitor 6-(3-aminophenyl)-3-((2-chlorophenyl)thio)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6HOV
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BU of 6hov by Molmil
Crystal Structure of BRD4 first bromodomain in complex with ferulic acid
Descriptor: 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Bromodomain-containing protein 4
Authors:Dalle Vedove, A, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
7QQL
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BU of 7qql by Molmil
The PDZ domain of SNTG2 complexed with the phosphorylated PDZ-binding motif of RSK1
Descriptor: CALCIUM ION, GLYCEROL, Gamma-2-syntrophin,Annexin A2, ...
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2022-01-10
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
6H9U
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BU of 6h9u by Molmil
Crystal structure of the BiP NBD and MANF SAP complex
Descriptor: D-MALATE, Endoplasmic reticulum chaperone BiP, Mesencephalic astrocyte-derived neurotrophic factor, ...
Authors:Yan, Y, Ron, D.
Deposit date:2018-08-06
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP.
Nat Commun, 10, 2019
7QQN
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BU of 7qqn by Molmil
The PDZ domain of SNTG1 complexed with the acetylated PDZ-binding motif of TRPV3
Descriptor: CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ...
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2022-01-10
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7QQM
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BU of 7qqm by Molmil
The PDZ domain of LRRC7 fused with ANXA2
Descriptor: CALCIUM ION, GLYCEROL, Leucine-rich repeat-containing protein 7,Annexin A2
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2022-01-10
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7CCR
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BU of 7ccr by Molmil
Structure of the 2:2 cGAS-nucleosome complex
Descriptor: Cyclic GMP-AMP synthase, DNA (147-MER), Histone H2A type 1-B/E, ...
Authors:Cao, D, Han, X, Fan, X, Xu, R.M, Zhang, X.
Deposit date:2020-06-17
Release date:2020-10-07
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Structural basis for nucleosome-mediated inhibition of cGAS activity.
Cell Res., 30, 2020
2I7K
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BU of 2i7k by Molmil
Solution Structure of the Bromodomain of Human BRD7 Protein
Descriptor: Bromodomain-containing protein 7
Authors:Sun, H, Liu, J, Zhang, J, Huang, H, Wu, J, Shi, Y.
Deposit date:2006-08-31
Release date:2007-07-10
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of BRD7 bromodomain and its interaction with acetylated peptides from histone H3 and H4
Biochem.Biophys.Res.Commun., 358, 2007
2I9T
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BU of 2i9t by Molmil
Structure of NF-kB p65-p50 heterodimer bound to PRDII element of B-interferon promoter
Descriptor: 5'-D(*AP*GP*TP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*TP*CP*TP*G)-3', 5'-D(*CP*AP*GP*AP*GP*GP*AP*AP*TP*TP*TP*CP*CP*CP*AP*CP*T)-3', Nuclear factor NF-kappa-B p105 subunit, ...
Authors:Escalante, C.R, Shen, L, Thanos, D, Aggarwal, A.K.
Deposit date:2006-09-06
Release date:2007-02-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of NF-kappaB p50/p65 heterodimer bound to the PRDII DNA element from the interferon-beta promoter
Structure, 10, 2002
6B1G
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BU of 6b1g by Molmil
Solution structure of TDP-43 N-terminal domain dimer.
Descriptor: TAR DNA-binding protein 43, S48E Mutant, Y4R Mutant
Authors:Naik, M.T, Wang, A, Conicella, A, Fawzi, N.L.
Deposit date:2017-09-18
Release date:2018-02-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A single N-terminal phosphomimic disrupts TDP-43 polymerization, phase separation, and RNA splicing.
EMBO J., 37, 2018
6I12
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BU of 6i12 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 5
Descriptor: 2-[(4-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, Fascin
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
6Z6L
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BU of 6z6l by Molmil
Cryo-EM structure of human CCDC124 bound to 80S ribosomes
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Wells, J.N, Buschauer, R, Mackens-Kiani, T, Best, K, Kratzat, H, Berninghausen, O, Becker, T, Cheng, J, Beckmann, R.
Deposit date:2020-05-28
Release date:2020-07-29
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure and function of yeast Lso2 and human CCDC124 bound to hibernating ribosomes.
Plos Biol., 18, 2020
6BB3
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BU of 6bb3 by Molmil
Lactate Dehydrogenase in complex with inhibitor 3-((2-chlorophenyl)thio)-6-(6-((4-fluorophenyl)amino)pyridin-2-yl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6R)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Chen, Z, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6E4A
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BU of 6e4a by Molmil
Crystal structure of human BRD4(1) in complex with CN750
Descriptor: 5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL
Authors:Fontano, E, White, A, Lakshminarasimhan, D, Suto, R.K.
Deposit date:2018-07-17
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Discovery and lead identification of quinazoline-based BRD4 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6BCR
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BU of 6bcr by Molmil
Complex of 14-3-3 theta with an IRSp53 peptide phosphorylated at T340
Descriptor: 1,2-ETHANEDIOL, 14-3-3 protein theta, DI(HYDROXYETHYL)ETHER, ...
Authors:Kast, D.J, Dominguez, R.
Deposit date:2017-10-20
Release date:2018-10-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Mechanism of IRSp53 inhibition by 14-3-3.
Nat Commun, 10, 2019

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