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4UYQ
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BU of 4uyq by Molmil
High resolution structure of the third cohesin ScaC in complex with the ScaB dockerin with a mutation in the C-terminal helix (IN to SI) from Acetivibrio cellulolyticus displaying a type I interaction.
分子名称: CALCIUM ION, Cellulosomal scaffoldin adaptor protein B, Cellulosomal scaffoldin anchoring protein C
著者Cameron, K, Fontes, C.M.G.A, Najmudin, S.
登録日2014-09-02
公開日2015-04-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Cell-surface Attachment of Bacterial Multienzyme Complexes Involves Highly Dynamic Protein-Protein Anchors.
J. Biol. Chem., 290, 2015
4UYP
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BU of 4uyp by Molmil
High resolution structure of the third cohesin ScaC in complex with the ScaB dockerin with a mutation in the N-terminal helix (IN to SI) from Acetivibrio cellulolyticus displaying a type I interaction.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Cameron, K, Alves, V.D, Bule, P, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
登録日2014-09-02
公開日2015-04-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Cell-surface Attachment of Bacterial Multienzyme Complexes Involves Highly Dynamic Protein-Protein Anchors.
J. Biol. Chem., 290, 2015
4UMS
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BU of 4ums by Molmil
The crystal structure of the seventh ScaB type I cohesin from Pseudobacteroides cellulosolvens
分子名称: CELLULOSOMAL ANCHORING SCAFFOLDIN B
著者Cameron, K, Alves, V.D, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
登録日2014-05-20
公開日2015-05-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Combined Crystal Structure of a Type-I Cohesin, Mutation and Affinity-Binding Studies Reveal Structural Determinants of Cohesin-Dockerin Specificity
J.Biol.Chem., 290, 2015
4U3S
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BU of 4u3s by Molmil
Crystal structure of Coh3ScaB-XDoc_M1ScaA complex: A N-terminal interface mutant of type II Cohesin-X-Dockerin complex from Acetivibrio cellulolyticus
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Cellulosomal scaffoldin, ...
著者Alves, V.D, Cameron, K, Najmudin, S.H, Fontes, C.M.G.A.
登録日2014-07-22
公開日2015-07-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of Coh3ScaB-XDoc_M1ScaA complex: A N-terminal interface mutant of type II Cohesin-X-Dockerin complex from Acetivibrio cellulolyticus
To Be Published
4WI0
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BU of 4wi0 by Molmil
Crystal structure of Coh3ScaB-XDoc_M2ScaA complex: A C-terminal interface mutant of type II Cohesin-X-Dockerin complex from Acetivibrio cellulolyticus
分子名称: CALCIUM ION, Cellulosomal scaffoldin, Cellulosomal scaffoldin adaptor protein B
著者Alves, V.D, Cameron, K, Najmudin, S.H, Fontes, C.M.G.A.
登録日2014-09-24
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal structure of Coh3ScaB-XDoc_M1ScaA complex: A C-terminal interface mutant of type II Cohesin-X-Dockerin complex from Acetivibrio cellulolyticus
To Be Published
3ZNI
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BU of 3zni by Molmil
Structure of phosphoTyr363-Cbl-b - UbcH5B-Ub - ZAP-70 peptide complex
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE CBL-B, ...
著者Dou, H, Buetow, L, Sibbet, G.J, Cameron, K, Huang, D.T.
登録日2013-02-14
公開日2013-07-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Essentiality of a Non-Ring Element in Priming Donor Ubiquitin for Catalysis by a Monomeric E3.
Nat.Struct.Mol.Biol., 20, 2013
4AUQ
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BU of 4auq by Molmil
Structure of BIRC7-UbcH5b-Ub complex.
分子名称: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 7, POLYUBIQUITIN-C, UBIQUITIN-CONJUGATING ENZYME E2 D2, ...
著者Dou, H, Buetow, L, Sibbet, G.J, Cameron, K, Huang, D.T.
登録日2012-05-21
公開日2012-08-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.176 Å)
主引用文献Birc7-E2 Ubiquitin Conjugate Structure Reveals the Mechanism of Ubiquitin Transfer by a Ring Dimer.
Nat.Struct.Mol.Biol., 19, 2012
5G5D
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BU of 5g5d by Molmil
Crystal Structure of the CohScaC2-XDocCipA type II complex from Clostridium thermocellum
分子名称: CALCIUM ION, CELLULOSOMAL-SCAFFOLDING PROTEIN A, CELLULOSOME ANCHORING PROTEIN COHESIN REGION
著者Carvalho, A.L, A Bras, J.L, Najmudin, S.H, Pinheiro, B.A, Fontes, C.M.G.A.
登録日2016-05-23
公開日2017-04-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Diverse specificity of cellulosome attachment to the bacterial cell surface.
Sci Rep, 6, 2016
5K39
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BU of 5k39 by Molmil
THE TYPE II COHESIN DOCKERIN COMPLEX FROM CLOSTRIDIUM THERMOCELLUM
分子名称: CALCIUM ION, Cellulosome anchoring protein cohesin region, Dockerin module from a protein of unknown function
著者Viegas, A, Pinheiro, B, Bras, J.L.A, Romao, M.J, Alves, V, Carvalho, A.L, Fontes, C.M.G.A.
登録日2016-05-19
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Diverse specificity of cellulosome attachment to the bacterial cell surface.
Sci Rep, 6, 2016
5M0Y
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BU of 5m0y by Molmil
Crystal Structure of the CohScaA-XDocCipB type II complex from Clostridium thermocellum at 1.5Angstrom resolution
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Cellulosome anchoring protein cohesin region, ...
著者Pinheiro, B.A, Bras, J.L, Carvalho, A.L, Fontes, C.M.G.A.
登録日2016-10-06
公開日2017-09-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Diverse specificity of cellulosome attachment to the bacterial cell surface.
Sci Rep, 6, 2016
5NRK
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BU of 5nrk by Molmil
Crystal structure of the sixth cohesin from Acetivibrio cellulolyticus' scaffoldin B in complex with Cel5 dockerin S15I, I16N mutant
分子名称: CALCIUM ION, DocCel5: Type I dockerin repeat domain from A. cellulolyticus family 5 endoglucanase WP_010249057 S15I, I16N mutant, ...
著者Bule, P, Najmudin, S, Fontes, C.M.G.A, Alves, V.D.
登録日2017-04-24
公開日2018-01-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure-function analyses generate novel specificities to assemble the components of multienzyme bacterial cellulosome complexes.
J. Biol. Chem., 293, 2018
5NRM
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BU of 5nrm by Molmil
Crystal structure of the sixth cohesin from Acetivibrio cellulolyticus' scaffoldin B in complex with Cel5 dockerin S51I, L52N mutant
分子名称: CALCIUM ION, DocCel5: Type I dockerin repeat domain from A. cellulolyticus family 5 endoglucanase WP_010249057 S51I, L52N mutant, ...
著者Bule, P, Najmudin, S, Fontes, C.M.G.A, Alves, V.D.
登録日2017-04-24
公開日2018-01-31
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-function analyses generate novel specificities to assemble the components of multienzyme bacterial cellulosome complexes.
J. Biol. Chem., 293, 2018
6I11
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BU of 6i11 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 3
分子名称: ACETATE ION, Fascin, ~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide
著者Schuettelkopf, A.W.
登録日2018-10-27
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献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
6I12
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BU of 6i12 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 5
分子名称: 2-[(4-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, Fascin
著者Schuettelkopf, A.W.
登録日2018-10-27
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献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
6I10
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BU of 6i10 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 2
分子名称: 1,2-ETHANEDIOL, 1-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one, ACETATE ION, ...
著者Schuettelkopf, A.W.
登録日2018-10-27
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
6I0Z
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BU of 6i0z by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 1
分子名称: Fascin, ~{N}-(2,4-dichlorophenyl)-~{N}-methyl-ethanamide
著者Schuettelkopf, A.W.
登録日2018-10-27
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献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
6I13
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BU of 6i13 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 7
分子名称: 1,2-ETHANEDIOL, 2-[(3-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, ...
著者Schuettelkopf, A.W.
登録日2018-10-27
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献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
6I15
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BU of 6i15 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 11
分子名称: 1,2-ETHANEDIOL, 1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{N}-methyl-2-oxidanylidene-pyridine-3-carboxamide, ACETATE ION, ...
著者Schuettelkopf, A.W.
登録日2018-10-27
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献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
6I14
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BU of 6i14 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 9
分子名称: 2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, Fascin
著者Schuettelkopf, A.W.
登録日2018-10-27
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献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
6I17
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BU of 6i17 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 24
分子名称: 1,2-ETHANEDIOL, 2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-6-piperidin-4-yl-2,7-naphthyridine-4-carboxamide, ACETATE ION, ...
著者Schuettelkopf, A.W.
登録日2018-10-27
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献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
6I18
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BU of 6i18 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH BDP-13176
分子名称: 1,2-ETHANEDIOL, 5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{N}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide, ACETATE ION, ...
著者Schuettelkopf, A.W.
登録日2018-10-27
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献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
6I16
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BU of 6i16 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 15
分子名称: 6-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide, ACETATE ION, Fascin
著者Schuettelkopf, A.W.
登録日2018-10-27
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
7Q9Q
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BU of 7q9q by Molmil
Crystal structure of PDE6D Geranylgeranylated cystein complex
分子名称: 1,2-ETHANEDIOL, GERAN-8-YL GERAN, O-METHYLCYSTEINE, ...
著者Yelland, T, Ismail, S.
登録日2021-11-14
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling.
J.Med.Chem., 65, 2022
7Q9S
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BU of 7q9s by Molmil
Crystal structure of PDE6D KRas peptide complex with Compound-1
分子名称: 1,2-ETHANEDIOL, 2-methyl-3-(1~{H}-pyrazol-5-yl)imidazo[1,2-a]pyridine, DIMETHYL SULFOXIDE, ...
著者Yelland, T, Ismail, S.
登録日2021-11-14
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling.
J.Med.Chem., 65, 2022
7Q9R
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BU of 7q9r by Molmil
Cocrystal structure of PDE6D bound to NRAS peptide
分子名称: 1,2-ETHANEDIOL, FARNESYL, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ...
著者Yelland, T, Ismail, S.
登録日2021-11-14
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling.
J.Med.Chem., 65, 2022

 

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