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7VDS
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BU of 7vds by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 24
分子名称: 1,2-ETHANEDIOL, 5-fluoranyl-4-[[2-[(1R)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile, CHLORIDE ION, ...
著者Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
登録日2021-09-07
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
7VDU
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BU of 7vdu by Molmil
The structure of cyclin-dependent kinase 2 (CDK2) in complex with Compound 1
分子名称: Cyclin-dependent kinase 2, [1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol
著者Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
登録日2021-09-07
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
7VDP
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BU of 7vdp by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cyclin-dependent kinase 5 activator 1, ...
著者Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
登録日2021-09-07
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
2ZBK
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BU of 2zbk by Molmil
Crystal structure of an intact type II DNA topoisomerase: insights into DNA transfer mechanisms
分子名称: RADICICOL, Type 2 DNA topoisomerase 6 subunit B, Type II DNA topoisomerase VI subunit A
著者Graille, M, Cladiere, L, Durand, D, Lecointe, F, Forterre, P, van Tilbeurgh, H, Paris-Sud Yeast Structural Genomics (YSG)
登録日2007-10-22
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.56 Å)
主引用文献Crystal Structure of an Intact Type II DNA Topoisomerase: Insights into DNA Transfer Mechanisms
Structure, 16, 2008
6ZHX
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BU of 6zhx by Molmil
Cryo-EM structure of the regulatory linker of ALC1 bound to the nucleosome's acidic patch: nucleosome class.
分子名称: Chromodomain-helicase-DNA-binding protein 1-like, DNA (145-MER) Widom 601 sequence, Histone H2A type 1, ...
著者Bacic, L, Gaullier, G, Croll, T.I, Deindl, S.
登録日2020-06-24
公開日2020-12-23
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Mechanistic Insights into Regulation of the ALC1 Remodeler by the Nucleosome Acidic Patch.
Cell Rep, 33, 2020
6ZHY
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BU of 6zhy by Molmil
Cryo-EM structure of the regulatory linker of ALC1 bound to the nucleosome's acidic patch: hexasome class.
分子名称: Chromodomain-helicase-DNA-binding protein 1-like, DNA (110-MER) Widom 601 sequence, Histone H2A type 1, ...
著者Bacic, L, Gaullier, G, Deindl, S.
登録日2020-06-24
公開日2020-12-23
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Mechanistic Insights into Regulation of the ALC1 Remodeler by the Nucleosome Acidic Patch.
Cell Rep, 33, 2020
8AJ7
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BU of 8aj7 by Molmil
Kunitz domain of Amblyomin-X
分子名称: 1,2-ETHANEDIOL, Kunitz domain of Amblyomin-X
著者Ciccone, L, Servent, D, Stura, E.A.
登録日2022-07-27
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and functional properties of the Kunitz-type and C-terminal domains of Amblyomin-X supporting its antitumor activity.
Front Mol Biosci, 10, 2023
6ELA
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BU of 6ela by Molmil
Crystal structure of MMP12 in complex with inhibitor BE4.
分子名称: (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ...
著者Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A.
登録日2017-09-28
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.485 Å)
主引用文献Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
4INL
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BU of 4inl by Molmil
Crystal structure of SplD protease from Staphylococcus aureus at 2.1 A resolution
分子名称: Serine protease SplD
著者Cichon, P, Zdzalik, M, Kalinska, M, Wysocka, M, Stec-Niemczyk, J, Stennicke, H.R, Jabaiah, A, Markiewicz, M, Wladyka, B, Daugherty, P.S, Lesner, A, Rolka, K, Dubin, A, Potempa, J, Dubin, G.
登録日2013-01-04
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biochemical and Structural Characterization of SplD Protease from Staphylococcus aureus.
Plos One, 8, 2013
6ESM
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BU of 6esm by Molmil
Crystal structure of MMP9 in complex with inhibitor BE4.
分子名称: (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, CALCIUM ION, Matrix metalloproteinase-9,Matrix metalloproteinase-9, ...
著者Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A.
登録日2017-10-23
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.104 Å)
主引用文献Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
4B49
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BU of 4b49 by Molmil
1.15 A Structure of Lysozyme Crystallized without 2-methyl-2,4- pentanediol
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, LYSOZYME C
著者Jakoncic, J, Berger, J, Stauber, M, Axelbaum, A, Asherie, N.
登録日2012-07-28
公開日2012-08-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystallization of Lysozyme with (R)-, (S)- and (Rs)-2-Methyl-2,4-Pentanediol
Acta Crystallogr.,Sect.D, 71, 2015
8PJM
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BU of 8pjm by Molmil
Metallo beta-lactamase VIM2 with compound AK110
分子名称: Beta-lactamase VIM-2, CHLORIDE ION, SODIUM ION, ...
著者Lucic, A, Hinchliffe, P, Schofield, C.
登録日2023-06-23
公開日2023-08-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Metallo beta-lactamase VIM2 with compound AK110
To Be Published
6EKN
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BU of 6ekn by Molmil
Crystal structure of MMP12 in complex with inhibitor BE7.
分子名称: (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]pentanedioic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A.
登録日2017-09-26
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
4B4E
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BU of 4b4e by Molmil
1.00 A Structure of Lysozyme Crystallized with (R)-2-methyl-2,4- pentanediol
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, CHLORIDE ION, LYSOZYME C
著者Jakoncic, J, Berger, J, Stauber, M, Axelbaum, A, Asherie, N.
登録日2012-07-30
公開日2012-08-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Crystallization of Lysozyme with (R)-, (S)- and (Rs)-2-Methyl-2,4-Pentanediol
Acta Crystallogr.,Sect.D, 71, 2015
4B4J
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BU of 4b4j by Molmil
1.25 A Structure of Lysozyme Crystallized with (RS)-2-methyl-2,4- pentanediol
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, CHLORIDE ION, LYSOZYME C
著者Jakoncic, J, Berger, J, Stauber, M, Axelbaum, A, Asherie, N.
登録日2012-07-30
公開日2012-08-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystallization of Lysozyme with (R)-, (S)- and (Rs)-2-Methyl-2,4-Pentanediol
Acta Crystallogr.,Sect.D, 71, 2015
2FCE
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BU of 2fce by Molmil
Solution structure of C-lobe Myosin Light Chain from Saccharomices cerevisiae
分子名称: Myosin light chain 1
著者Cicero, D.O, Pennestri, M, Contessa, G.M, Paci, M, Ragnini-Wilson, A, Melino, S.
登録日2005-12-12
公開日2006-11-07
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural basis for the interaction of the myosin light chain Mlc1p with the myosin V Myo2p IQ motifs.
J.Biol.Chem., 282, 2007
2FCD
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BU of 2fcd by Molmil
Solution structure of N-lobe Myosin Light Chain from Saccharomices cerevisiae
分子名称: Myosin light chain 1
著者Cicero, D.O, Pennestri, M, Contessa, G.M, Paci, M, Ragnini-Wilson, A, Melino, S.
登録日2005-12-12
公開日2006-11-07
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural basis for the interaction of the myosin light chain Mlc1p with the myosin V Myo2p IQ motifs.
J.Biol.Chem., 282, 2007
4B4I
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BU of 4b4i by Molmil
1.20 A Structure of Lysozyme Crystallized with (S)-2-methyl-2,4- pentanediol
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, LYSOZYME C
著者Jakoncic, J, Berger, J, Stauber, M, Axelbaum, A, Asherie, N.
登録日2012-07-30
公開日2012-08-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystallization of Lysozyme with (R)-, (S)- and (Rs)-2-Methyl-2,4-Pentanediol
Acta Crystallogr.,Sect.D, 71, 2015
2MPB
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BU of 2mpb by Molmil
NMR structure of BA42 protein from the psychrophilic bacteria Bizionia argentinensis sp. nov
分子名称: BA42
著者Cicero, D, Aran, M, Smal, C, Pellizza, L, Gallo, M.
登録日2014-05-14
公開日2014-08-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution and crystal structure of BA42, a protein from the Antarctic bacterium Bizionia argentinensis comprised of a stand-alone TPM domain.
Proteins, 82, 2014
7OVY
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BU of 7ovy by Molmil
Crystal structure of a dimeric based inhibitor JG34 in complex with the MMP-12 catalytic domain
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Macrophage metalloelastase, ...
著者Ciccone, L, Rossello, A, Vera, L, Nuti, E, Stura, E.A.
登録日2021-06-15
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Discovery of Dimeric Arylsulfonamides as Potent ADAM8 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7MBK
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BU of 7mbk by Molmil
N-terminal domain of mouse surfactant protein B, 6W mutant
分子名称: Pulmonary surfactant-associated protein B
著者Milicic, G, Rapoport, T.A.
登録日2021-03-31
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Mechanism of Lamellar Body Formation by Lung Surfactant Protein B.
Mol.Cell, 81, 2021
3U0X
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BU of 3u0x by Molmil
Crystal structure of the B-specific-1,3-galactosyltransferase (GTB) in complex with compound 382
分子名称: 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine, CHLORIDE ION, GLYCEROL, ...
著者Palcic, M.M, Jorgensen, R.
登録日2011-09-29
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A novel compound from a molecular fragment library screen inhibits glycosyltransferases by displacing the metal ion and interfering with substrate binding
To be Published
3U0Y
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BU of 3u0y by Molmil
Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with compound 382 and UDP
分子名称: 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine, GLYCEROL, Histo-blood group ABO system transferase, ...
著者Palcic, M.M, Jorgensen, R.
登録日2011-09-29
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A novel compound from a molecular fragment library screen inhibits glycosyltransferases by displacing the metal ion and interfering with substrate binding
To be Published
4FON
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BU of 4fon by Molmil
High Energy Remote SAD structure solution of Proteinase K from the 37.8 keV Tellurium K edge
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, OXYGEN ATOM, ...
著者Jakoncic, J.
登録日2012-06-20
公開日2012-08-22
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Macromolecular Crystallography at High(er) Energy
To be Published
3V0P
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BU of 3v0p by Molmil
Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with a novel UDP-Gal derived inhibitor (4GW) and H-antigen acceptor
分子名称: 5-(5-formylthiophen-2-yl)uridine 5'-(trihydrogen diphosphate), Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
著者Palcic, M.M, Jorgensen, R.
登録日2011-12-08
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Base-modified Donor Analogues Reveal Novel Dynamic Features of a Glycosyltransferase.
J.Biol.Chem., 288, 2013

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件を2024-09-25に公開中

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