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4JPR
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BU of 4jpr by Molmil
Structure of the ASLV fusion subunit core
分子名称: ASLV fusion TM, CHLORIDE ION
著者Aydin, H, Smrke, B.M, Lee, J.E.
登録日2013-03-19
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural characterization of a fusion glycoprotein from a retrovirus that undergoes a hybrid 2-step entry mechanism.
Faseb J., 27, 2013
5F4E
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BU of 5f4e by Molmil
Crystal structure of the human sperm Izumo1 and egg Juno complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Aydin, H, Sultana, A, Lee, J.E.
登録日2015-12-03
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular architecture of the human sperm IZUMO1 and egg JUNO fertilization complex.
Nature, 534, 2016
5F4V
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Crystal structure of the human sperm Izumo1 residues 22-268
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Izumo sperm-egg fusion protein 1
著者Aydin, H, Sultana, A, Lee, J.E.
登録日2015-12-03
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular architecture of the human sperm IZUMO1 and egg JUNO fertilization complex.
Nature, 534, 2016
5F4Q
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BU of 5f4q by Molmil
Crystal structure of the human egg surface protein Juno
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Aydin, H, Sultana, A, Lee, J.E.
登録日2015-12-03
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular architecture of the human sperm IZUMO1 and egg JUNO fertilization complex.
Nature, 534, 2016
5F4T
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BU of 5f4t by Molmil
Crystal structure of the human sperm Izumo1 residues 22-254
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Izumo sperm-egg fusion protein 1
著者Aydin, H, Sultana, A, Lee, J.E.
登録日2015-12-03
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.083 Å)
主引用文献Molecular architecture of the human sperm IZUMO1 and egg JUNO fertilization complex.
Nature, 534, 2016
5H9C
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BU of 5h9c by Molmil
Crystal structure of the ASLV fusion protein core
分子名称: CHLORIDE ION, Envelope glycoprotein gp95
著者Aydin, H, Lee, J.E.
登録日2015-12-28
公開日2016-01-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献Structural characterization of a fusion glycoprotein from a retrovirus that undergoes a hybrid 2-step entry mechanism.
Faseb J., 27, 2013
5HA6
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BU of 5ha6 by Molmil
Crystal structure of human syncytin-1 fusion subunit
分子名称: CHLORIDE ION, Syncytin-1
著者Aydin, H, Lee, J.E.
登録日2015-12-30
公開日2017-08-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.0006 Å)
主引用文献Structural and functional characterization of the human Syncytin 1 fusion protein
To Be Published
4JGS
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BU of 4jgs by Molmil
Crystal structure of the xmrv tm retroviral fusion core
分子名称: CHLORIDE ION, MLV-related proviral Env polyprotein
著者Cook, J.D, Aydin, H, Lee, J.E.
登録日2013-03-02
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of Beta- and gammaretrovirus fusion proteins reveal a role for electrostatic stapling in viral entry.
J.Virol., 88, 2014
4JF3
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BU of 4jf3 by Molmil
Crystal structure of the mpmv tm retroviral fusion core
分子名称: CHLORIDE ION, Envelope glycoprotein
著者Cook, J.D, Aydin, H, Lee, J.E.
登録日2013-02-27
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of Beta- and gammaretrovirus fusion proteins reveal a role for electrostatic stapling in viral entry.
J.Virol., 88, 2014
7SSP
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BU of 7ssp by Molmil
Structure of the human COQ7:COQ9 complex by single-particle electron cryo-microscopy, unliganded state
分子名称: 5-demethoxyubiquinone hydroxylase, mitochondrial, Ubiquinone biosynthesis protein COQ9
著者Aydin, H, Frost, A.
登録日2021-11-11
公開日2022-11-02
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure and functionality of a multimeric human COQ7:COQ9 complex.
Mol.Cell, 82, 2022
7SSS
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BU of 7sss by Molmil
Structure of the NADH-bound human COQ7:COQ9 complex by single-particle electron cryo-microscopy
分子名称: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL]PHENOL, 5-demethoxyubiquinone hydroxylase, ...
著者Aydin, H, Frost, A.
登録日2021-11-11
公開日2022-11-02
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structure and functionality of a multimeric human COQ7:COQ9 complex.
Mol.Cell, 82, 2022
7ULW
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BU of 7ulw by Molmil
CryoEM structure of human LACTB filament
分子名称: Serine beta-lactamase-like protein LACTB, mitochondrial
著者Bennett, J.A, Steward, L.R, Aydin, H.
登録日2022-04-05
公開日2022-12-07
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The structure of the human LACTB filament reveals the mechanisms of assembly and membrane binding.
Plos Biol., 20, 2022
8CT1
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BU of 8ct1 by Molmil
CryoEM structure of human S-OPA1 assembled on lipid membrane in membrane-adjacent state
分子名称: Dynamin-like 120 kDa protein, mitochondrial
著者Du Pont, K.E, Aydin, H.
登録日2022-05-13
公開日2023-08-30
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structural mechanism of mitochondrial membrane remodelling by human OPA1.
Nature, 620, 2023
8CT9
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CryoEM structure of human S-OPA1 assembled on lipid membrane in membrane-distal state
分子名称: CARDIOLIPIN, Dynamin-like 120 kDa protein, mitochondrial
著者Du Pont, K.E, Aydin, H.
登録日2022-05-13
公開日2023-08-30
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (6.8 Å)
主引用文献Structural mechanism of mitochondrial membrane remodelling by human OPA1.
Nature, 620, 2023
4K4F
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BU of 4k4f by Molmil
Co-crystal structure of TNKS1 with compound 18 [4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide]
分子名称: 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-1, ZINC ION
著者Huang, X, Bregman, H, Wilson, C, DiMauro, E, Gunaydin, H.
登録日2013-04-12
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
4DVI
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BU of 4dvi by Molmil
Crystal structure of Tankyrase 1 with IWR2
分子名称: 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(4-methylquinolin-8-yl)benzamide, Tankyrase-1, ZINC ION
著者Huang, X.
登録日2012-02-23
公開日2012-04-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Novel binding mode of a potent and selective tankyrase inhibitor.
Plos One, 7, 2012
7MCK
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BU of 7mck by Molmil
Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 18
分子名称: N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide, Serine/threonine-protein kinase Chk1
著者Palte, R.
登録日2021-04-02
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Optimization of brain-penetrant picolinamide derived leucine-rich repeat kinase 2 (LRRK2) inhibitors.
Rsc Med Chem, 12, 2021
5HX8
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BU of 5hx8 by Molmil
Jak1 complex with 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one
分子名称: 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one, Tyrosine-protein kinase JAK1
著者Su, H.P.
登録日2016-01-29
公開日2016-03-16
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based design and development of (benz)imidazole pyridones as JAK1-selective kinase inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
3TJC
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BU of 3tjc by Molmil
Co-crystal structure of jak2 with thienopyridine 8
分子名称: 4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
著者Huang, X.
登録日2011-08-24
公開日2011-11-30
最終更新日2011-12-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of potent and highly selective thienopyridine janus kinase 2 inhibitors.
J.Med.Chem., 54, 2011
8TU6
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BU of 8tu6 by Molmil
CryoEM structure of PI3Kalpha
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Valverde, R, Shi, H, Holliday, M.
登録日2023-08-15
公開日2023-11-15
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TSB
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BU of 8tsb by Molmil
Human PI3K p85alpha/p110alpha bound to compound 2
分子名称: 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
登録日2023-08-11
公開日2023-11-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TSA
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BU of 8tsa by Molmil
Human PI3K p85alpha/p110alpha H1047R bound to compound 2
分子名称: 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J, Valverde, R.
登録日2023-08-11
公開日2023-11-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TS8
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BU of 8ts8 by Molmil
p85alpha/p110alpha heterodimer H1047R mutant
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
登録日2023-08-11
公開日2023-11-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TSD
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BU of 8tsd by Molmil
Human PI3K p85alpha/p110alpha bound to RLY-2608
分子名称: N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
登録日2023-08-11
公開日2023-11-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TS7
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BU of 8ts7 by Molmil
Human PI3K p85alpha/p110alpha
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
登録日2023-08-11
公開日2023-11-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024

 

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