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3R6R
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BU of 3r6r by Molmil
Structure of the complex of an intramolecular human telomeric DNA with Berberine formed in K+ solution
分子名称: BERBERINE, DNA (22-mer), POTASSIUM ION
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R.
登録日2011-03-22
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The crystal structure of human telomeric DNA complexed with berberine: an interesting case of stacked ligand to G-tetrad ratio higher than 1:1.
Nucleic Acids Res., 41, 2013
6RHJ
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BU of 6rhj by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-(4-benzyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
分子名称: 4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Ferraroni, M, Angeli, A, Supuran, C.T.
登録日2019-04-21
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Sulfonamides incorporating piperazine bioisosteres as potent human carbonic anhydrase I, II, IV and IX inhibitors.
Bioorg.Chem., 91, 2019
6RG4
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BU of 6rg4 by Molmil
Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(2-benzyl-4-methylpiperazin-1-yl)benzenesulfonamide
分子名称: 4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Ferraroni, M, Angeli, A, Supuran, C.
登録日2019-04-16
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Sulfonamides incorporating piperazine bioisosteres as potent human carbonic anhydrase I, II, IV and IX inhibitors.
Bioorg.Chem., 91, 2019
1S70
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BU of 1s70 by Molmil
Complex between protein ser/thr phosphatase-1 (delta) and the myosin phosphatase targeting subunit 1 (MYPT1)
分子名称: 130 kDa myosin-binding subunit of smooth muscle myosin phophatase (M130), MANGANESE (II) ION, Serine/threonine protein phosphatase PP1-beta (or delta) catalytic subunit, ...
著者Kerff, F, Terrak, M, Dominguez, R.
登録日2004-01-28
公開日2004-06-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of protein phosphatase 1 regulation
Nature, 429, 2004
8B1Y
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BU of 8b1y by Molmil
STRUCTURE OF PORCINE PANCREATIC ELASTASE BOUND TO A FRAGMENT OF A 5-AZAINDAZOLE INHIBITOR
分子名称: 1-cyclopropylcarbonylpyrazolo[4,3-c]pyridine-3-carbonitrile, CALCIUM ION, Chymotrypsin-like elastase family member 1, ...
著者Ferraroni, M, Giovannoni, P, Gerace, A.
登録日2022-09-12
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献X-ray structural study of human neutrophil elastase inhibition with a series of azaindoles, azaindazoles and isoxazolones
J.Mol.Struct., 1274, 2023
8B04
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BU of 8b04 by Molmil
STRUCTURE OF PORCINE PANCREATIC ELASTASE BOUND TO A FRAGMENT OF AN ISOXAZOLONE INHIBITOR
分子名称: 2-cyclopropylcarbonyl-3-propan-2-yl-1,2-oxazol-5-one, CALCIUM ION, Chymotrypsin-like elastase family member 1, ...
著者Ferraroni, M, Giovannoni, P, Masini, V.
登録日2022-09-07
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray structural study of human neutrophil elastase inhibition with a series of azaindoles, azaindazoles and isoxazolones
J.Mol.Struct., 1274, 2023
8B49
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BU of 8b49 by Molmil
STRUCTURE OF PORCINE PANCREATIC ELASTASE BOUND TO A FRAGMENT (m-toluoylcarbonyl group) OF A 5-AZAINDOLE INHIBITOR
分子名称: 1-(3-methylphenyl)carbonylpyrrolo[3,2-c]pyridine-3-carbonitrile, CALCIUM ION, Chymotrypsin-like elastase family member 1, ...
著者Ferraroni, M, Giovannoni, P, Gerace, A.
登録日2022-09-20
公開日2023-09-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献X-ray structural study of human neutrophil elastase inhibition with a series of azaindoles, azaindazoles and isoxazolones
J.Mol.Struct., 1274, 2023
8B53
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BU of 8b53 by Molmil
Structure of porcine pancreatic elastase bound to a fragment of a 4-azaindole inhibitor
分子名称: 3-methylbenzoic acid, CALCIUM ION, Chymotrypsin-like elastase family member 1, ...
著者Ferraroni, M, Gerace, A.
登録日2022-09-21
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献X-ray structural study of human neutrophil elastase inhibition with a series of azaindoles, azaindazoles and isoxazolones
J.Mol.Struct., 1274, 2023
2PHD
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BU of 2phd by Molmil
Crystal Structure Determination of a Salicylate 1,2-Dioxygenase from Pseudaminobacter salicylatoxidans
分子名称: ACETATE ION, CHLORIDE ION, FE (III) ION, ...
著者Matera, I, Ferraroni, M, Briganti, F.
登録日2007-04-11
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure Determination of a Salicylate 1,2-Dioxygenase from Pseudaminobacter salicylatoxidans
To be Published
6F3C
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BU of 6f3c by Molmil
The cytotoxic [Pt(H2bapbpy)] platinum complex interacting with the CGTACG hexamer
分子名称: DNA (5'-D(*GP*TP*AP*CP*G)-3'), MAGNESIUM ION, [Pt(H2bapbpy)] platinum
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Papi, F.
登録日2017-11-28
公開日2019-05-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Induction of a Four-Way Junction Structure in the DNA Palindromic Hexanucleotide 5'-d(CGTACG)-3' by a Mononuclear Platinum Complex.
Angew.Chem.Int.Ed.Engl., 58, 2019
6G3Q
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BU of 6g3q by Molmil
Crystal structure of human carbonic anhydrase II in complex with the inhibitor famotidine
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
著者Ferraroni, M, Supuran, C.T, Angeli, A.
登録日2018-03-26
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Famotidine, an Antiulcer Agent, Strongly InhibitsHelicobacter pyloriand Human Carbonic Anhydrases.
ACS Med Chem Lett, 9, 2018
6G3V
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BU of 6g3v by Molmil
Crystal structure of human carbonic anhydrase I in complex with the inhibitor famotidine
分子名称: Carbonic anhydrase 1, GLYCEROL, ZINC ION, ...
著者Ferraroni, M, Supuran, C.T, Angeli, A.
登録日2018-03-26
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Famotidine, an Antiulcer Agent, Strongly InhibitsHelicobacter pyloriand Human Carbonic Anhydrases.
ACS Med Chem Lett, 9, 2018
7ASJ
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BU of 7asj by Molmil
Crystal structure for the complex of human carbonic anhydrase II and 3-(3-methyl-3-phenethylureido)benzenesulfonamide
分子名称: 3-(3-methyl-3-phenethylureido)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2020-10-27
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes.
J.Med.Chem., 65, 2022
8OFC
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BU of 8ofc by Molmil
Structure of an i-motif domain with the cytosine analog 1,3-diaza-2-oxophenoxacione (tC) at neutral pH
分子名称: DNA (5'-D(*CP*(YCO)P*GP*TP*TP*CP*(DNR)P*GP*TP*TP*TP*TP*TP*CP*CP*GP*TP*TP*CP*(DNR)P*GP*T)-3')
著者Mir, B, Serrano-Chacon, I, Terrazas, M, Gandioso, A, Garavis, M, Orozco, M, Escaja, N, Gonzalez, C.
登録日2023-03-15
公開日2024-02-07
最終更新日2024-04-24
実験手法SOLUTION NMR
主引用文献Site-specific incorporation of a fluorescent nucleobase analog enhances i-motif stability and allows monitoring of i-motif folding inside cells.
Nucleic Acids Res., 52, 2024
7OHE
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BU of 7ohe by Molmil
A self-complementary DNA dodecamer duplex contaning 5-hydroxymethylcitosine
分子名称: DNA (5'-D(*CP*GP*CP*GP*TP*CP*GP*AP*CP*GP*CP*G)-3')
著者Battistini, F, Dans, P.D, Terrazas, M, Castellazzi, C.L, Portella, G, Labrador, M, Villegas, N, Brun-Heath, I, Gonzalez, C, Orozco, M.
登録日2021-05-10
公開日2021-11-03
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function.
Plos Comput.Biol., 17, 2021
7OHM
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BU of 7ohm by Molmil
A self-complementary DNA dodecamer duplex contaning 5-hydroxymethylcitosine
分子名称: DNA (5'-D(*CP*GP*AP*(DH)P*GP*TP*CP*G)-3')
著者Battistini, F, Dans, P.D, Terrazas, M, Castellazzi, C.L, Portella, G, Labrador, M, Villegas, N, Brun-Heath, I, Gonzalez, C, Orozco, M.
登録日2021-05-11
公開日2021-11-03
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function.
Plos Comput.Biol., 17, 2021
7OHJ
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BU of 7ohj by Molmil
A self-complementary DNA dodecamer duplex contaning 5-hydroxymethylcitosine
分子名称: DNA (5'-D(*CP*GP*AP*CP*GP*TP*CP*G)-3')
著者Battistini, F, Dans, P.D, Terrazas, M, Castellazzi, C.L, Portella, G, Labrador, M, Villegas, N, Brun-Heath, I, Gonzalez, C, Orozco, M.
登録日2021-05-11
公開日2021-11-03
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function.
Plos Comput.Biol., 17, 2021
7OGV
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BU of 7ogv by Molmil
A self-complementary DNA dodecamer duplex contaning 5-hydroxymethylcitosine
分子名称: DNA (5'-D(*(P*GP*CP*GP*TP*(DH)P*GP*AP*CP*GP*CP*G-3')
著者Battistini, F, Dans, P.D, Terrazas, M, Castellazzi, C.L, Portella, G, Labrador, M, Villegas, N, Brun-Heath, I, Gonzalez, C, Orozco, M.
登録日2021-05-07
公開日2021-11-03
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function.
Plos Comput.Biol., 17, 2021
6YL7
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BU of 6yl7 by Molmil
Crystal structure of beta carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei
分子名称: Beta carbonic anhydrase, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2020-04-06
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Crystal Structure of a Tetrameric Type II beta-Carbonic Anhydrase from the Pathogenic BacteriumBurkholderia pseudomallei.
Molecules, 25, 2020
1BLX
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BU of 1blx by Molmil
P19INK4D/CDK6 COMPLEX
分子名称: CALCIUM ION, CYCLIN-DEPENDENT KINASE 6, P19INK4D
著者Brotherton, D.H, Dhanaraj, V, Wick, S, Brizuela, L, Domaille, P.J, Volyanik, E, Xu, X, Parisini, E, Smith, B.O, Archer, S.J, Serrano, M, Brenner, S.L, Blundell, T.L, Laue, E.D.
登録日1998-07-21
公開日1999-06-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the complex of the cyclin D-dependent kinase Cdk6 bound to the cell-cycle inhibitor p19INK4d.
Nature, 395, 1998
7NWY
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BU of 7nwy by Molmil
Crystal structure of alpha carbonic anhydrase from schistosoma mansoni with 4-(3-(4-fluorophenyl)ureido)benzenesulfonamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase, ...
著者Angeli, A, Ferraroni, M.
登録日2021-03-17
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.807 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7O48
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BU of 7o48 by Molmil
Crystal structure of carbonic anhydrase from schistosoma mansoni with 4-(2-(3-(4-iodophenyl)thioureido)ethyl)benzenesulfonamide
分子名称: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea, 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Angeli, A, Ferraroni, M.
登録日2021-04-05
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7OA1
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BU of 7oa1 by Molmil
Crystal structure of alfa carbonic anhydrase from Schistosoma mansoni with 4-(2-(3-(4-iodophenyl)ureido)ethyl)benzenesulfonamide
分子名称: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea, 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Angelil, A, Ferraroni, M.
登録日2021-04-18
公開日2022-05-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
5IFP
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BU of 5ifp by Molmil
STRUCTURE OF BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J.
登録日2016-02-26
公開日2017-04-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages.
FEBS J., 284, 2017
5IFT
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BU of 5ift by Molmil
STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 3-b-Galactopyranosyl glucose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J.
登録日2016-02-26
公開日2017-04-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages.
FEBS J., 284, 2017

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