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5IZ9
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BU of 5iz9 by Molmil
Protein-protein interaction
分子名称: ACE-GLY-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein
著者Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
登録日2016-03-25
公開日2017-07-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5IZ6
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BU of 5iz6 by Molmil
Protein-protein interaction
分子名称: Adenomatous polyposis coli protein, DI(HYDROXYETHYL)ETHER, PHQ-ALA-GLY-GLU-ALA-LEU-TYR-GLU-NH2, ...
著者Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
登録日2016-03-25
公開日2017-07-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5B6G
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BU of 5b6g by Molmil
Protein-protein interaction
分子名称: Adenomatous polyposis coli protein, GLYCEROL, PHQ-ALA-GLY-GLU-ALA-XYC-TYR-GLU, ...
著者Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
登録日2016-05-27
公開日2017-05-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
8GSJ
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BU of 8gsj by Molmil
APC-Asef tripeptide inhibitor
分子名称: (1R,2S)-2-phenylcyclopropanamine, 2-methylsulfanylpyrimidine-4-carbaldehyde, Adenomatous polyposis coli protein, ...
著者Zhang, J, Wang, X.F, Song, K.
登録日2022-09-06
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献APC-Asef tripeptide inhibitor
To Be Published
5HID
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BU of 5hid by Molmil
BRAF Kinase domain b3aC loop deletion mutant in complex with AZ628
分子名称: 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase B-raf
著者Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S.
登録日2016-01-11
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
5HI2
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BU of 5hi2 by Molmil
BRAF Kinase domain b3aC loop deletion mutant in complex with sorafenib
分子名称: 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Serine/threonine-protein kinase B-raf
著者Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S.
登録日2016-01-11
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.512 Å)
主引用文献Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
5HIE
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BU of 5hie by Molmil
BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib
分子名称: Dabrafenib, Serine/threonine-protein kinase B-raf
著者Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S.
登録日2016-01-11
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
5Y2F
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BU of 5y2f by Molmil
Human SIRT6 in complex with allosteric activator MDL-801
分子名称: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, 9-mer peptide QTARKSTGG, DI(HYDROXYETHYL)ETHER, ...
著者Zhang, J, Huang, Z, Song, K.
登録日2017-07-25
公開日2018-11-07
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Identification of a cellularly active SIRT6 allosteric activator.
Nat. Chem. Biol., 14, 2018
5Z8H
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BU of 5z8h by Molmil
APC with an inhibitor
分子名称: Adenomatous polyposis coli protein, GLYCEROL, Peptide inhibitor
著者Zhang, J, Yang, X.Y, Song, K.
登録日2018-01-31
公開日2019-02-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献APC with an inhibitor
To Be Published
2JLN
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BU of 2jln by Molmil
Structure of Mhp1, a nucleobase-cation-symport-1 family transporter
分子名称: MERCURY (II) ION, MHP1, SODIUM ION
著者Weyand, S, Shimamura, T, Yajima, S, Suzuki, S, Mirza, O, Krusong, K, Carpenter, E.P, Rutherford, N.G, Hadden, J.M, O'Reilly, J, Ma, P, Saidijam, M, Patching, S.G, Hope, R.J, Norbertczak, H.T, Roach, P.C.J, Iwata, S, Henderson, P.J.F, Cameron, A.D.
登録日2008-09-11
公開日2008-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure and Molecular Mechanism of a Nucleobase-Cation-Symport-1 Family Transporter.
Science, 322, 2008
4AD1
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BU of 4ad1 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens
分子名称: GLYCOSYL HYDROLASE FAMILY 71
著者Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
登録日2011-12-21
公開日2012-02-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AD5
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BU of 4ad5 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with glucose-1,3-deoxymannojirimycin and alpha-1,2-mannobiose
分子名称: 1-DEOXYMANNOJIRIMYCIN, GLYCOSYL HYDROLASE FAMILY 71, alpha-D-glucopyranose, ...
著者Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
登録日2011-12-21
公開日2012-02-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4ACZ
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BU of 4acz by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides thetaiotaomicron
分子名称: ENDO-ALPHA-MANNOSIDASE, GLYCEROL
著者Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
登録日2011-12-21
公開日2012-02-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AD2
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BU of 4ad2 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with glucose-1,3-isofagomine
分子名称: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, alpha-D-glucopyranose
著者Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
登録日2011-12-21
公開日2012-02-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AD3
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BU of 4ad3 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with Glucose-1,3-deoxymannojirimycin
分子名称: 1-DEOXYMANNOJIRIMYCIN, GLYCOSYL HYDROLASE FAMILY 71, alpha-D-glucopyranose
著者Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
登録日2011-12-21
公開日2012-02-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AD0
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BU of 4ad0 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteriodes thetaiotaomicron in complex with BIS-TRIS-Propane
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-ALPHA-MANNOSIDASE, GLYCEROL
著者Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
登録日2011-12-21
公開日2012-02-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AD4
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BU of 4ad4 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with glucose-1,3-isofagomine and alpha-1,2- mannobiose
分子名称: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, alpha-D-glucopyranose, ...
著者Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
登録日2011-12-21
公開日2012-02-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4ACY
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BU of 4acy by Molmil
Selenomethionine derivative of the GH99 endo-alpha-mannosidase from Bacteroides thetaiotaomicron
分子名称: ENDO-ALPHA-MANNOSIDASE, FORMIC ACID, GLYCEROL
著者Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
登録日2011-12-21
公開日2012-02-01
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
7F6M
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BU of 7f6m by Molmil
Crystal structure of APC complexed with a peptide inhibitor MAI-516
分子名称: Adenomatous polyposis coli protein, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Song, K, Zhang, J.
登録日2021-06-25
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Efficient Adenomatous Polyposis Coli - Rho Guanine Nucleotide Exchange Factor 4 Inhibitors by Employing High Binding Affinity Tracer
To Be Published
8BI2
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BU of 8bi2 by Molmil
Syk kinase domain in complex with macrocyclic inhibitor 20a
分子名称: 10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one, Tyrosine-protein kinase SYK
著者Read, J.A, Patel, J.
登録日2022-11-01
公開日2023-06-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.508 Å)
主引用文献Optimization of a series of novel, potent and selective Macrocyclic SYK inhibitors.
Bioorg.Med.Chem.Lett., 91, 2023
7MDY
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BU of 7mdy by Molmil
LolCDE nucleotide-bound
分子名称: ADP ORTHOVANADATE, Lipo-releasing system transmembrane protein lolC, Lipoprotein transporter subunit LolE, ...
著者Sharma, S, Liao, M.
登録日2021-04-06
公開日2021-08-11
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mechanism of LolCDE as a molecular extruder of bacterial triacylated lipoproteins
Nat Commun, 12, 2021
7MDX
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BU of 7mdx by Molmil
LolCDE nucleotide-free
分子名称: (2R)-2-(tridecanoyloxy)propyl hexadecanoate, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, ...
著者Sharma, S, Liao, M.
登録日2021-04-06
公開日2021-08-11
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Mechanism of LolCDE as a molecular extruder of bacterial triacylated lipoproteins
Nat Commun, 12, 2021
7MEW
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BU of 7mew by Molmil
E. coli MsbA in complex with G247
分子名称: (2E)-3-{1-cyclopropyl-7-[(1S)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid, ATP-dependent lipid A-core flippase
著者Thelot, F, Liao, M.
登録日2021-04-08
公開日2021-10-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Distinct allosteric mechanisms of first-generation MsbA inhibitors.
Science, 374, 2021
7MET
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BU of 7met by Molmil
A. baumannii MsbA in complex with TBT1 decoupler
分子名称: 2-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, ATP-dependent lipid A-core flippase
著者Thelot, F, Liao, M.
登録日2021-04-07
公開日2021-10-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.97 Å)
主引用文献Distinct allosteric mechanisms of first-generation MsbA inhibitors.
Science, 374, 2021
8ESM
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BU of 8esm by Molmil
Human triacylglycerol synthesizing enzyme DGAT1 in complex with T863 inhibitor
分子名称: Diacylglycerol O-acyltransferase 1, {(1r,4r)-4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl}acetic acid
著者Sui, X, Kun, W, Walther, T, Farese, R, Liao, M.
登録日2022-10-14
公開日2023-06-07
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mechanism of action for small-molecule inhibitors of triacylglycerol synthesis.
Nat Commun, 14, 2023

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