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8C84
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BU of 8c84 by Molmil
Crystal structure of MADS-box/MEF2D N-terminal domain complex
分子名称: DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), MEF2D protein
著者Chinellato, M, Carli, A, Perin, S, Mazzoccato, Y, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L.
登録日2023-01-18
公開日2024-01-31
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
2G3V
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BU of 2g3v by Molmil
Crystal structure of CagS (HP0534, Cag13) from Helicobacter pylori
分子名称: (UNK)(UNK)(UNK)(UNK)(UNK)(MSE)(UNK), CAG pathogenicity island protein 13
著者Cendron, L, Tasca, E, Angelini, A, Seydel, A, Battistutta, R, Montecucco, C, Zanotti, G.
登録日2006-02-21
公開日2007-03-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of CagS from helicobacter pylori
To be Published
8Q9R
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BU of 8q9r by Molmil
Crystal structure of MADS-box/MEF2D N-terminal domain bound to dsDNA and HDAC9 deacetylase binding motif
分子名称: Histone deacetylase 9 (HDAC9) binding motif peptide: EVKQKLQEFLLSKS, MADS box dsDNA: AACTATTTATAAGA, MADS box dsDNA: TCTTATAAATAGT, ...
著者Chinellato, M, Carli, A, Perin, S, Mazzoccato, Y, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L.
登録日2023-08-20
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
8Q9P
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BU of 8q9p by Molmil
Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC5 deacetylase binding motif
分子名称: HDAC5 (histone deacetylase 5) binding motif peptide: TRP-GLY-SER-GLY-GLU-VAL-LYS-LEU-ARG-LEU-GLN-GLU-PHE-LEU-LEU-SER-LYS-SER, MADS box dsDNA fw: AACTATTTATAAGA, MADS box dsNA rev:TCTTATAAATAGTT, ...
著者Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L.
登録日2023-08-20
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
8Q9Q
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BU of 8q9q by Molmil
Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC7 deacetylase binding motif
分子名称: HDAC7 (histone deacetylase 7) binding motif peptide: GLY-VAL-VAL-LYS-GLN-LYS-LEU-ALA-GLU-VAL-ILE-LEU-LYS-LYS-GLN, MADS box dsDNA: AACTATTTATAAGA, MADS box dsDNA: TCTTATAAATAGTT, ...
著者Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L.
登録日2023-08-20
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
8Q9N
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BU of 8q9n by Molmil
Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and MITR deacetylase binding motif mutant L151V.
分子名称: DIMETHYL SULFOXIDE, DNA MADS box, MEF2D protein, ...
著者Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L.
登録日2023-08-20
公開日2024-06-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
2RD3
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BU of 2rd3 by Molmil
Crystal structure of TenA homologue (HP1287) from Helicobacter pylori
分子名称: Transcriptional regulator
著者Barison, N, Cendron, L, Trento, A, Angelini, A, Zanotti, G.
登録日2007-09-21
公開日2008-09-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The structural and functional characterization of HP1287 from Helicobacter pylori demonstrates it is a TenA homologue
To be Published
8PDE
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BU of 8pde by Molmil
Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC4 deacetylase binding motif
分子名称: DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), HDAC4 (histone deacetylase 4) binding motif peptide:GSGEVKMKLQEFVLNKK, ...
著者Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L.
登録日2023-06-12
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
7AAI
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BU of 7aai by Molmil
Crystal structure of Human serum albumin in complex with perfluorooctanoic acid (PFOA) at 2.10 Angstrom Resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ...
著者Maso, L, Liberi, S, Trande, M, Angelini, A, Cendron, L.
登録日2020-09-04
公開日2021-02-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Unveiling the binding mode of perfluorooctanoic acid to human serum albumin.
Protein Sci., 30, 2021
7AAE
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BU of 7aae by Molmil
Crystal structure of Human serum albumin in complex with myristic acid at 2.27 Angstrom Resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Albumin, FORMIC ACID, ...
著者Maso, L, Liberi, S, Trande, M, Angelini, A, Cendron, L.
登録日2020-09-04
公開日2021-02-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Unveiling the binding mode of perfluorooctanoic acid to human serum albumin.
Protein Sci., 30, 2021
7ZRR
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BU of 7zrr by Molmil
Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK965
分子名称: 1,2-ETHANEDIOL, 1,3,5-tris(bromomethyl)benzene, AMINO GROUP, ...
著者Caregnato, A, Angela, P, Mazzoccato, Y, Frasson, N, Angelini, A, Cendron, L.
登録日2022-05-05
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK965
To Be Published
7ZRT
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Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK970
分子名称: 1,2-ETHANEDIOL, 1,3,5-tris(bromomethyl)benzene, DI(HYDROXYETHYL)ETHER, ...
著者Caregnato, A, Angela, P, Mazzoccato, Y, Frasson, N, Angelini, A, Cendron, L.
登録日2022-05-05
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK970
To Be Published
8ASE
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BU of 8ase by Molmil
Crystal structure of Thrombin in complex with macrocycle T3
分子名称: (8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chinellato, M, Angelini, A, Nielsen, A, Heinis, C, Cendron, L.
登録日2022-08-19
公開日2023-11-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of Thrombin in complex with optimized macrocycles T1 and T3
To Be Published
8ASF
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BU of 8asf by Molmil
Crystal structure of Thrombin in complex with macrocycle T1
分子名称: 5-chloranyl-~{N}-[[(9~{S},15~{R})-8,14,17-tris(oxidanylidene)-3,20-dithia-7,13,16-triazatetracyclo[20.2.2.1^{5,7}.1^{9,13}]octacosa-1(25),22(26),23-trien-15-yl]methyl]thiophene-2-carboxamide, Thrombin heavy chain, Thrombin light chain
著者Chinellato, M, Angelini, A, Nielsen, A, Heinis, C, Cendron, L.
登録日2022-08-19
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Crystal structure of Thrombin in complex with optimized macrocycles T1 and T3
To Be Published
3IBX
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BU of 3ibx by Molmil
Crystal structure of F47Y variant of TenA (HP1287) from Helicobacter pylori
分子名称: Putative thiaminase II
著者Barison, N, Cendron, L, Trento, A, Angelini, A, Zanotti, G.
登録日2009-07-17
公開日2009-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and mutational analysis of TenA protein (HP1287) from the Helicobacter pylori thiamin salvage pathway - evidence of a different substrate specificity.
Febs J., 276, 2009
8OI2
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BU of 8oi2 by Molmil
Crystal structure of Alb1 megabody in complex with human serum albumin
分子名称: Alb1 Megabody, Albumin
著者De Felice, S, Zoia, G, Romanyuk, Z, Pardon, E, Steyaert, J, Angelini, A, Cendron, L.
登録日2023-03-22
公開日2024-04-03
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of human serum albumin in complex with megabody reveals unique human and murine cross-reactive binding site.
Protein Sci., 33, 2024
6GWE
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BU of 6gwe by Molmil
Crystal structure of Thrombin bound to P2 macrocycle
分子名称: (10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cendron, L, Angelini, A, Kale, S.S, Bergeron-Brlek, M, Wu, Y, Heinis, C.
登録日2018-06-23
公開日2019-09-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Thiol-to-amine cyclization reaction enables screening of large libraries of macrocyclic compounds and the generation of sub-kilodalton ligands.
Sci Adv, 5, 2019
7OCJ
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BU of 7ocj by Molmil
Crystal structure of E.coli LexA in complex with nanobody NbSOS2(Nb14509)
分子名称: 1,2-ETHANEDIOL, LexA repressor, NbSOS2 (14509)
著者Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L.
登録日2021-04-27
公開日2022-10-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
7B5G
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BU of 7b5g by Molmil
Crystal structure of E.coli LexA in complex with nanobody NbSOS3(Nb14527)
分子名称: 1,2-ETHANEDIOL, LexA repressor, Nanobody Nb14527, ...
著者Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L.
登録日2020-12-03
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
7ZRA
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BU of 7zra by Molmil
Crystal structure of E.coli LexA in complex with nanobody NbSOS1(Nb14497)
分子名称: 1,2-ETHANEDIOL, LexA repressor, Nanobody NbSOS1 (Nb14497)
著者Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L.
登録日2022-05-04
公開日2022-10-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
7QFE
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BU of 7qfe by Molmil
Crystal structure of Human Serum albumin in complex with Gemfibrozil
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid, MYRISTIC ACID, ...
著者Liberi, S, Moro, G, Angelini, A, Cendron, L.
登録日2021-12-05
公開日2022-03-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Analysis of Human Serum Albumin in Complex with the Fibrate Drug Gemfibrozil.
Int J Mol Sci, 23, 2022
5TFX
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BU of 5tfx by Molmil
New method for synthesis of benzoxazole amide inhibitors of carbonic anhydrase
分子名称: Carbonic anhydrase 2, GLYCEROL, N-(5-sulfamoyl-1,3-benzoxazol-2-yl)benzamide, ...
著者Peat, T.S, Supuran, C.
登録日2016-09-26
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Intramolecular oxidative deselenization of acylselenoureas: a facile synthesis of benzoxazole amides and carbonic anhydrase inhibitors.
Org. Biomol. Chem., 14, 2016
6VKG
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BU of 6vkg by Molmil
Human carbonic anhydrase IX mimic with Epacadostat bound
分子名称: N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, SULFATE ION, ZINC ION, ...
著者Peat, T.S, Carta, F, Supuran, C.T.
登録日2020-01-20
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献X-ray crystallography of Epacadostat in adduct with Carbonic Anhydrase IX.
Bioorg.Chem., 97, 2020
8Q3U
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BU of 8q3u by Molmil
Crystal structure of a fentanyl derivative in complex with human CA VII
分子名称: Carbonic anhydrase 7, GLYCEROL, ZINC ION, ...
著者Alterio, V, Di Fiore, A, De Simone, G.
登録日2023-08-04
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Discovery of a novel series of potent carbonic anhydrase inhibitors with selective affinity for mu Opioid receptor for Safer and long-lasting analgesia.
Eur.J.Med.Chem., 260, 2023
6ODZ
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BU of 6odz by Molmil
Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects
分子名称: 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Peat, T.S.
登録日2019-03-27
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects.
Eur.J.Med.Chem., 177, 2019

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