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5XGJ
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BU of 5xgj by Molmil
Crystal structure of PI3K complex with an inhibitor
分子名称: 3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)-5-[(phenylmethyl)amino]phenol, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
著者Song, K, Yang, X, Zhao, Y, Jian, Z.
登録日2017-04-13
公開日2018-04-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Crystal structure of PI3K complex with an inhibitor
To Be Published
5XGI
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BU of 5xgi by Molmil
Crystal structure of PI3K complex with an inhibitor
分子名称: 3-azanyl-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, GLYCEROL, HEXAETHYLENE GLYCOL, ...
著者Song, K, Yang, X, Zhao, Y, Jian, Z.
登録日2017-04-13
公開日2018-04-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Crystal structure of PI3K complex with an inhibitor
To Be Published
2C53
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BU of 2c53 by Molmil
A comparative study of uracil DNA glycosylases from human and herpes simplex virus type 1
分子名称: 2'-DEOXYURIDINE, GLYCEROL, URACIL DNA GLYCOSYLASE
著者Krusong, K, Carpenter, E.P, Bellmy, S.R.W, Savva, R, Baldwin, G.S.
登録日2005-10-25
公開日2005-11-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Comparative Study of Uracil-DNA Glycosylases from Human and Herpes Simplex Virus Type 1.
J.Biol.Chem., 281, 2006
2C56
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BU of 2c56 by Molmil
A comparative study of uracil DNA glycosylases from human and herpes simplex virus type 1
分子名称: URACIL DNA GLYCOSYLASE, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Krusong, K, Carpenter, E.P, Bellamy, S.R.W, Savva, R, Baldwin, G.S.
登録日2005-10-26
公開日2005-11-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Comparative Study of Uracil-DNA Glycosylases from Human and Herpes Simplex Virus Type 1.
J.Biol.Chem., 281, 2006
5XGH
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BU of 5xgh by Molmil
Crystal structure of PI3K complex with an inhibitor
分子名称: 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Song, K, Yang, X, Zhao, Y, Jian, Z.
登録日2017-04-13
公開日2018-04-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献New Insights into PI3K Inhibitor Design using X-ray Structures of PI3K alpha Complexed with a Potent Lead Compound.
Sci Rep, 7, 2017
7E4T
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BU of 7e4t by Molmil
Human TRPC5 apo state structure at 3 angstrom
分子名称: (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, ...
著者Chen, L, Song, K, Wei, M, Guo, W.
登録日2021-02-15
公開日2021-03-31
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for human TRPC5 channel inhibition by two distinct inhibitors.
Elife, 10, 2021
7D4P
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BU of 7d4p by Molmil
Structure of human TRPC5 in complex with clemizole
分子名称: (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole, ...
著者Chen, L, Song, K, Wei, M, Guo, W.
登録日2020-09-24
公開日2021-03-31
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural basis for human TRPC5 channel inhibition by two distinct inhibitors.
Elife, 10, 2021
7D4Q
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BU of 7d4q by Molmil
Structure of human TRPC5 in complex with HC-070
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 8-(3-chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione, CALCIUM ION, ...
著者Chen, L, Song, K, Wei, M, Guo, W.
登録日2020-09-24
公開日2021-03-31
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献Structural basis for human TRPC5 channel inhibition by two distinct inhibitors.
Elife, 10, 2021
7CL0
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BU of 7cl0 by Molmil
Crystal structure of human SIRT6
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
著者Song, K, Zhang, J.
登録日2020-07-20
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
7CL1
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BU of 7cl1 by Molmil
Human SIRT6 in complex with allosteric activator MDL-801 (3.2A)
分子名称: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Song, K, Zhang, J.
登録日2020-07-20
公開日2021-02-24
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
7EHI
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BU of 7ehi by Molmil
Crystal structure of covalent maltosyl-alpha-glucosidase intermediate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Krusong, K, Wangpaiboon, K, Kim, S, Mori, T, Hakoshima, T.
登録日2021-03-29
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A GH13 alpha-glucosidase from Weissella cibaria uncommonly acts on short-chain maltooligosaccharides.
Acta Crystallogr D Struct Biol, 77, 2021
7EHH
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BU of 7ehh by Molmil
Crystal structure of alpha-glucosidase from Weissella cibaria BKK1 in complex with maltose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Krusong, K, Wangpaiboon, K, Kim, S, Mori, T, Hakoshima, T.
登録日2021-03-29
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A GH13 alpha-glucosidase from Weissella cibaria uncommonly acts on short-chain maltooligosaccharides.
Acta Crystallogr D Struct Biol, 77, 2021
7DCH
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BU of 7dch by Molmil
Alpha-glucosidase from Weissella cibaria BBK-1 bound with acarbose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glycosidase, ...
著者Krusong, K, Wangpaiboon, K, Kim, S, Mori, T, Hakoshima, T.
登録日2020-10-26
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.692 Å)
主引用文献A GH13 alpha-glucosidase from Weissella cibaria uncommonly acts on short-chain maltooligosaccharides.
Acta Crystallogr D Struct Biol, 77, 2021
7D9C
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BU of 7d9c by Molmil
Alpha-glucosidase from Weissella cibaria BBK-1 bound with maltose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha-glycosidase, CALCIUM ION, ...
著者Krusong, K, Wangpaiboon, K, Kim, S, Mori, T, Hakoshima, T.
登録日2020-10-13
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献A GH13 alpha-glucosidase from Weissella cibaria uncommonly acts on short-chain maltooligosaccharides.
Acta Crystallogr D Struct Biol, 77, 2021
7D9B
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BU of 7d9b by Molmil
Crystal structure of alpha-glucosidase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha-glycosidase, CALCIUM ION, ...
著者Krusong, K, Wangpaiboon, K, Kim, S, Mori, T, Hakoshima, T.
登録日2020-10-12
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献A GH13 alpha-glucosidase from Weissella cibaria uncommonly acts on short-chain maltooligosaccharides.
Acta Crystallogr D Struct Biol, 77, 2021
7DCG
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BU of 7dcg by Molmil
Alpha-glucosidase from Weissella cibaria BBK-1 bound with maltotriose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha-glycosidase, CALCIUM ION, ...
著者Krusong, K, Wangpaiboon, K, Kim, S, Mori, T, Hakoshima, T.
登録日2020-10-26
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献A GH13 alpha-glucosidase from Weissella cibaria uncommonly acts on short-chain maltooligosaccharides.
Acta Crystallogr D Struct Biol, 77, 2021
8FW5
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BU of 8fw5 by Molmil
Chimeric HsGATOR1-SpGtr-SpLam complex
分子名称: ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ...
著者Tettoni, S.D, Egri, S.B, Doxsey, D.D, Ouch, C, Chang, J, Song, K, Xu, C, Shen, K.
登録日2023-01-20
公開日2023-07-26
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structure of the Schizosaccharomyces pombe Gtr-Lam complex reveals evolutionary divergence of mTORC1-dependent amino acid sensing.
Structure, 31, 2023
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
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
3OMV
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BU of 3omv by Molmil
Crystal structure of c-raf (raf-1)
分子名称: (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime, RAF proto-oncogene serine/threonine-protein kinase
著者Hatzivassiliou, G, Song, K, Yen, I, Brandhuber, B.J, Anderson, D.J, Alvarado, R, Ludlam, M.J, Stokoe, D, Gloor, S.L, Vigers, G.P.A, Morales, T, Aliagas, I, Liu, B, Sideris, S, Hoeflich, K.P, Jaiswal, B.S, Seshagiri, S, Koeppen, H, Belvin, M, Friedman, L.S, Malek, S.
登録日2010-08-27
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献RAF inhibitors prime wild-type RAF to activate the MAPK pathway and enhance growth.
Nature, 464, 2010
5X16
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BU of 5x16 by Molmil
Sirt6 apo structure
分子名称: GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, TERTIARY-BUTYL ALCOHOL, ...
著者Zhang, J, Huang, Z, Song, K.
登録日2017-01-24
公開日2018-07-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Sirt6 apo structure
To Be Published
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
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
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
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

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