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6YUF
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BU of 6yuf by Molmil
Cohesin complex with loader gripping DNA
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cohesin subunit rad21, ...
著者Higashi, T.L, Eickhoff, P, Sousa, J.S, Costa, A, Uhlmann, F.
登録日2020-04-27
公開日2020-08-19
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.94 Å)
主引用文献A Structure-Based Mechanism for DNA Entry into the Cohesin Ring.
Mol.Cell, 79, 2020
7P30
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BU of 7p30 by Molmil
3.0 A resolution structure of a DNA-loaded MCM double hexamer
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (53-MER), ...
著者Greiwe, J.F, Miller, T.C.R, Martino, F, Costa, A.
登録日2021-07-06
公開日2022-02-02
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural mechanism for the selective phosphorylation of DNA-loaded MCM double hexamers by the Dbf4-dependent kinase.
Nat.Struct.Mol.Biol., 29, 2022
7P5Z
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BU of 7p5z by Molmil
Structure of a DNA-loaded MCM double hexamer engaged with the Dbf4-dependent kinase
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 7, ...
著者Greiwe, J.F, Miller, T.C.R, Martino, F, Costa, A.
登録日2021-07-15
公開日2022-02-02
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural mechanism for the selective phosphorylation of DNA-loaded MCM double hexamers by the Dbf4-dependent kinase.
Nat.Struct.Mol.Biol., 29, 2022
8QYI
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BU of 8qyi by Molmil
OleP in complex with lithocholic acid in high salt crystallization conditions
分子名称: (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid, Cytochrome P-450, FORMIC ACID, ...
著者Fata, F, Costanzo, A, Freda, I, Gugole, E, Bulfaro, G, Barbizzi, L, Di Renzo, M, Savino, C, Vallone, B, Montemiglio, L.C.
登録日2023-10-26
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献OleP in complex with lithocolic acid in high salt crystallization conditions
To Be Published
8QRD
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BU of 8qrd by Molmil
OleP in complex with testosterone in high salt crystallization conditions
分子名称: Cytochrome P-450, FORMIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Fata, F, Costanzo, A, Freda, I, Gugole, E, Bulfaro, G, Barbizzi, L, Di Renzo, M, Savino, C, Vallone, B, Montemiglio, L.C.
登録日2023-10-06
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献OleP in complex with testosterone in high salt crystallization conditions
To Be Published
8B29
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BU of 8b29 by Molmil
Human carbonic anhydrase II containing 6-fluorotryptophanes.
分子名称: Carbonic anhydrase 2, ZINC ION
著者Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L.
登録日2022-09-13
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Direct Expression of Fluorinated Proteins in Human Cells for 19 F In-Cell NMR Spectroscopy.
J.Am.Chem.Soc., 145, 2023
4NW6
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BU of 4nw6 by Molmil
Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 27
分子名称: 7-(1H-benzimidazol-7-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine, Ribosomal protein S6 kinase alpha-3
著者Appleton, B.A.
登録日2013-12-05
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4NW5
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BU of 4nw5 by Molmil
Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 8
分子名称: 7-(2-fluoro-6-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine, Ribosomal protein S6 kinase alpha-3
著者Appleton, B.A.
登録日2013-12-05
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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
4U7D
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BU of 4u7d by Molmil
Structure of human RECQ-like helicase in complex with an oligonucleotide
分子名称: ATP-dependent DNA helicase Q1, DNA oligonucleotide, ZINC ION
著者Pike, A.C.W, Zhang, Y, Schnecke, C, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2014-07-30
公開日2015-01-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Human RECQ1 helicase-driven DNA unwinding, annealing, and branch migration: Insights from DNA complex structures.
Proc.Natl.Acad.Sci.USA, 112, 2015
5HOG
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BU of 5hog by Molmil
Crystal structure of the carboxy-terminal domain of yeast Ctf4 bound to Dna2.
分子名称: DNA polymerase alpha-binding protein, Dna2p
著者Simon, A.C, Pellegrini, L.
登録日2016-01-19
公開日2016-06-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.092 Å)
主引用文献Ctf4 Is a Hub in the Eukaryotic Replisome that Links Multiple CIP-Box Proteins to the CMG Helicase.
Mol.Cell, 63, 2016
8P5E
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BU of 8p5e by Molmil
S. cerevisiae nexus-sCMGE after DNA replication initiation
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, ...
著者Henrikus, S.S, Willhoft, O.
登録日2023-05-24
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Unwinding of a eukaryotic origin of replication visualized by cryo-EM.
Nat.Struct.Mol.Biol., 2024
8P62
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BU of 8p62 by Molmil
S. cerevisiae ssDNA-sCMGE after DNA replication initiation
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, ...
著者Henrikus, S.S, Willhoft, O.
登録日2023-05-25
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Unwinding of a eukaryotic origin of replication visualized by cryo-EM.
Nat.Struct.Mol.Biol., 2024
8P63
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BU of 8p63 by Molmil
S. cerevisiae consensus-sCMGE on ssDNA after DNA replication initiation
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, ...
著者Henrikus, S.S, Willhoft, O.
登録日2023-05-25
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Unwinding of a eukaryotic origin of replication visualized by cryo-EM.
Nat.Struct.Mol.Biol., 2024
3UL6
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BU of 3ul6 by Molmil
Saccharum officinarum canecystatin-1 in space group P6422
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Canecystatin-1
著者Valadares, N.F, Pereira, H.M, Oliveira-Silva, R, Garratt, R.C.
登録日2011-11-10
公開日2012-12-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献X-ray crystallography and NMR studies of domain-swapped canecystatin-1.
Febs J., 280, 2013
3UL5
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BU of 3ul5 by Molmil
Saccharum officinarum canecystatin-1 in space group C2221
分子名称: Canecystatin-1, GLYCEROL, SODIUM ION
著者Valadares, N.F, Pereira, H.M, Oliveira-Silva, R, Garratt, R.C.
登録日2011-11-10
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray crystallography and NMR studies of domain-swapped canecystatin-1.
Febs J., 280, 2013
5T3A
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BU of 5t3a by Molmil
Maedi-Visna virus (MVV) integrase CCD-CTD (residues 60-275)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, integrase
著者Cook, N.J, Pye, V.E, Cherepanov, P.
登録日2016-08-25
公開日2017-01-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献A supramolecular assembly mediates lentiviral DNA integration.
Science, 355, 2017
5LLJ
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BU of 5llj by Molmil
Maedi-Visna virus (MVV) integrase C-terminal domain (residues 220-276)
分子名称: CHLORIDE ION, Integrase
著者Pye, V.E, Maskell, D.P, Cherepanov, P.
登録日2016-07-27
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A supramolecular assembly mediates lentiviral DNA integration.
Science, 355, 2017
6YUW
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BU of 6yuw by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 454
分子名称: 1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Ruza, R.R, Hillier, J, Jones, E.Y.
登録日2020-04-27
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
6YV2
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BU of 6yv2 by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 598
分子名称: (3~{R})-1-phenylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ruza, R.R, Hillier, J, Jones, E.Y.
登録日2020-04-27
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
6YXI
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BU of 6yxi by Molmil
Structure of Notum in complex with a 1-(3-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid inhibitor
分子名称: 1,2-ETHANEDIOL, 1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Vecchia, L, Jones, E.Y, Ruza, R.R, Hillier, J, Zhao, Y.
登録日2020-05-01
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
6YV4
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BU of 6yv4 by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 686
分子名称: 1,2-ETHANEDIOL, 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Hillier, J, Ruza, R.R, Jones, E.Y.
登録日2020-04-27
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
6YV0
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BU of 6yv0 by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 587
分子名称: (3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ruza, R.R, Hillier, J, Jones, E.Y.
登録日2020-04-27
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
6YUY
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BU of 6yuy by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 471
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Hillier, J, Ruza, R.R, Jones, E.Y.
登録日2020-04-27
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
6YSK
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BU of 6ysk by Molmil
1-phenylpyrroles and 1-enylpyrrolidines as inhibitors of Notum
分子名称: (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhao, Y, Jones, E.Y, Fish, P.
登録日2020-04-22
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020

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件を2024-07-31に公開中

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