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4N90
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BU of 4n90 by Molmil
Crystal structure of ternary complex of TRAIL, DR5, and Fab fragment from a DR5 agonist antibody
分子名称: Fab heavy chain, Fab light chain, Tumor necrosis factor ligand superfamily member 10, ...
著者Huang, X.
登録日2013-10-18
公開日2014-09-03
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Apo2L/TRAIL and the Death Receptor 5 Agonist Antibody AMG 655 Cooperate to Promote Receptor Clustering and Antitumor Activity.
Cancer Cell, 26, 2014
4ES4
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BU of 4es4 by Molmil
Crystal structure of YdiV and FlhD complex
分子名称: Flagellar transcriptional regulator FlhD, Putative cyclic di-GMP regulator CdgR
著者Li, B, Gu, L.
登録日2012-04-22
公開日2012-10-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural insight of a concentration-dependent mechanism by which YdiV inhibits Escherichia coli flagellum biogenesis and motility
Nucleic Acids Res., 40, 2012
4I10
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Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates
分子名称: 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1H)-one, Beta-secretase 1, ZINC ION
著者Lougheed, J.C, Brecht, E, Yao, N.H.
登録日2012-11-19
公開日2013-03-06
最終更新日2013-04-24
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
4I0D
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BU of 4i0d by Molmil
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
分子名称: Beta-secretase 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-(4-propylthiophen-3-yl)-L-alanine, ZINC ION
著者Yao, N, Brecht, E.
登録日2012-11-16
公開日2013-10-09
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I12
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BU of 4i12 by Molmil
Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors
分子名称: 2-{(1S)-1-{[(1Z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]amino}-2-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5H)-one, Beta-secretase 1, SODIUM ION, ...
著者Lougheed, J.C, Brecht, E, Yao, N.H.
登録日2012-11-19
公開日2013-03-06
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I0G
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BU of 4i0g by Molmil
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
分子名称: 3-(4-bromothiophen-3-yl)-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine, Beta-secretase 1, ZINC ION
著者Yao, N, Brecht, E.
登録日2012-11-16
公開日2013-03-06
最終更新日2013-04-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
4HZT
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BU of 4hzt by Molmil
Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates
分子名称: 3-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2H)-one, Beta-secretase 1, ZINC ION
著者Yao, N, Brecht, E.
登録日2012-11-15
公開日2013-03-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
4I1C
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BU of 4i1c by Molmil
Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors
分子名称: BETA-SECRETASE 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine, ZINC ION
著者Lougheed, J.C, Brecht, E, Yao, N.H.
登録日2012-11-20
公開日2013-03-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I0E
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BU of 4i0e by Molmil
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
分子名称: 3-[2-bromo-4-(1H-pyrazol-4-yl)thiophen-3-yl]-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine, Beta-secretase 1, ZINC ION
著者Yao, N, Brecht, E.
登録日2012-11-16
公開日2013-03-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I0F
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BU of 4i0f by Molmil
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
分子名称: Beta-secretase 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine, ZINC ION
著者Yao, N, Brecht, E.
登録日2012-11-16
公開日2013-03-06
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
9DU7
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BU of 9du7 by Molmil
KEAP1 BTB domain in complex with the covalent activator VVD-065
分子名称: 1-{(3S)-3-[3-(4-amino-1,3,5-triazin-2-yl)-5-chlorophenyl]morpholin-4-yl}propan-1-one, Kelch-like ECH-associated protein 1
著者Bernard, S.M.
登録日2024-10-02
公開日2024-10-23
実験手法X-RAY DIFFRACTION (1.867 Å)
主引用文献Suppression of NRF2-dependent cancer growth by a covalent allosteric molecular glue
Biorxiv, 2024
8T48
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BU of 8t48 by Molmil
The N4BP1 CUE-like domain in complex with linear di-Ubiquitin
分子名称: Di-Ubiquitin, GLYCEROL, LITHIUM ION, ...
著者Schubert, A.F, Harris, S.F.
登録日2023-06-08
公開日2024-03-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献N4BP1 coordinates ubiquitin-dependent crosstalk within the I kappa B kinase family to limit Toll-like receptor signaling and inflammation.
Immunity, 57, 2024
8C46
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BU of 8c46 by Molmil
N-Carbamoyl-beta-Alanine Amidohydrolases from Rhizobium radiobacter MDC 8606
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, N-carbamoyl-beta-alanine amidohydrolase, ZINC ION
著者Basle, A, Marles-Wright, J.
登録日2023-01-02
公開日2023-09-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and biochemical characterisation of the N-carbamoyl-beta-alanine amidohydrolase from Rhizobium radiobacter MDC 8606.
Febs J., 290, 2023
7K3C
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BU of 7k3c by Molmil
SGMGGIT segment 58-64 from Keratin-8
分子名称: ETHANOL, SGMGGIT segment 58-64 from the low complexity domain of Keratin-8, TRIETHYLENE GLYCOL
著者Murray, K.A, Sawaya, M.R, Eisenberg, D.S.
登録日2020-09-11
公開日2021-11-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Identifying amyloid-related diseases by mapping mutations in low-complexity protein domains to pathologies.
Nat.Struct.Mol.Biol., 29, 2022
7K3Y
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BU of 7k3y by Molmil
GGYAGAS segment 52-58 from Keratin-8
分子名称: GGYAGAS segment 52-58 from the low complexity domain of Keratin-8
著者Murray, K.A, Sawaya, M.R, Eisenberg, D.S.
登録日2020-09-14
公開日2021-11-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Identifying amyloid-related diseases by mapping mutations in low-complexity protein domains to pathologies.
Nat.Struct.Mol.Biol., 29, 2022
7K3X
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BU of 7k3x by Molmil
SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
分子名称: ISOPROPYL ALCOHOL, SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
著者Murray, K.A, Sawaya, M.R, Eisenberg, D.S.
登録日2020-09-14
公開日2021-11-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.705 Å)
主引用文献Identifying amyloid-related diseases by mapping mutations in low-complexity protein domains to pathologies.
Nat.Struct.Mol.Biol., 29, 2022
5V45
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BU of 5v45 by Molmil
Crystal structure of the F270M, K291M, L318M mutant of SR1 domain of human sacsin
分子名称: Sacsin
著者Menade, M, Kozlov, G, Gehring, K.
登録日2017-03-08
公開日2017-05-24
最終更新日2018-08-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018
5V46
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BU of 5v46 by Molmil
Crystal structure of the I113M, F270M, K291M, L308M mutant of SR1 domain of human sacsin
分子名称: Sacsin
著者Menade, M, Kozlov, G, Gehring, K.
登録日2017-03-08
公開日2017-05-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018
5V44
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BU of 5v44 by Molmil
Crystal structure of the SR1 domain of human sacsin
分子名称: GLYCEROL, Sacsin
著者Menade, M, Kozlov, G, Gehring, K.
登録日2017-03-08
公開日2017-05-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018
7S5U
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BU of 7s5u by Molmil
Extended bipolar assembly domain of kinesin-5 minifilament
分子名称: Kinesin-like protein Klp61F
著者Nithianantham, S, Al-Bassam, J.
登録日2021-09-12
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (4.41 Å)
主引用文献The kinesin-5 tail and bipolar miniflament domains are the origin of its microtubule crosslinking and sliding activity.
Mol.Biol.Cell, 2023
5VRG
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BU of 5vrg by Molmil
Structural insights into lipoprotein N-acylation by Escherichia coli apolipoprotein N-acyltransferase
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apolipoprotein N-acyltransferase, CHLORIDE ION, ...
著者Murray, J.M, Noland, C.L.
登録日2017-05-10
公開日2017-07-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.518 Å)
主引用文献Structural insights into lipoprotein N-acylation by Escherichia coli apolipoprotein N-acyltransferase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5EK0
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BU of 5ek0 by Molmil
Human Nav1.7-VSD4-NavAb in complex with GX-936.
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide, Chimera of bacterial Ion transport protein and human Sodium channel protein type 9 subunit alpha
著者Ahuja, S, Mukund, S, Starovasnik, M.A, Koth, C.M, Payandeh, J.
登録日2015-11-03
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献Structural basis of Nav1.7 inhibition by an isoform-selective small-molecule antagonist.
Science, 350, 2015
5VRH
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BU of 5vrh by Molmil
Apolipoprotein N-acyltransferase C387S active site mutant
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apolipoprotein N-acyltransferase, ...
著者Murray, J.M, Noland, C.L.
登録日2017-05-10
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.137 Å)
主引用文献Structural insights into lipoprotein N-acylation by Escherichia coli apolipoprotein N-acyltransferase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1WDF
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BU of 1wdf by Molmil
crystal structure of MHV spike protein fusion core
分子名称: E2 glycoprotein
著者Xu, Y, Liu, Y, Lou, Z, Qin, L, Li, X, Bai, Z, Tien, P, Gao, G.F, Rao, Z.
登録日2004-05-14
公開日2004-06-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Coronavirus-mediated Membrane Fusion: CRYSTAL STRUCTURE OF MOUSE HEPATITIS VIRUS SPIKE PROTEIN FUSION CORE
J.Biol.Chem., 279, 2004
1WDG
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BU of 1wdg by Molmil
crystal structure of MHV spike protein fusion core
分子名称: E2 glycoprotein
著者Xu, Y, Liu, Y, Lou, Z, Qin, L, Li, X, Bai, Z, Tien, P, Gao, G.F, Rao, Z.
登録日2004-05-14
公開日2004-06-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural Basis for Coronavirus-mediated Membrane Fusion: CRYSTAL STRUCTURE OF MOUSE HEPATITIS VIRUS SPIKE PROTEIN FUSION CORE
J.Biol.Chem., 279, 2004

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