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8T60
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BU of 8t60 by Molmil
CryoEM structure of an inward-facing MelBSt at a Na(+)-bound and sugar low-affinity conformation
Descriptor: Melibiose permease, NabFab_H Chain, NabFab_L Chain, ...
Authors:Guan, L.
Deposit date:2023-06-14
Release date:2024-02-28
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Mobile barrier mechanisms for Na + -coupled symport in an MFS sugar transporter.
Elife, 12, 2024
5L8O
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BU of 5l8o by Molmil
crystal structure of human FABP6 in complex with cholate
Descriptor: CHOLIC ACID, DI(HYDROXYETHYL)ETHER, Gastrotropin
Authors:Hendrick, A, Mueller, I, Leonard, P.M, Davenport, R, Mitchell, P.
Deposit date:2016-06-08
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Identification and Investigation of Novel Binding Fragments in the Fatty Acid Binding Protein 6 (FABP6).
J.Med.Chem., 59, 2016
5L8N
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BU of 5l8n by Molmil
crystal structure of human FABP6 protein with fragment 1
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 5,6-dimethyl-1~{H}-benzimidazol-2-amine, DI(HYDROXYETHYL)ETHER, ...
Authors:Hendrick, A, Mueller, I, Leonard, P.M, Davenport, R, Mitchell, P.
Deposit date:2016-06-08
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Identification and Investigation of Novel Binding Fragments in the Fatty Acid Binding Protein 6 (FABP6).
J.Med.Chem., 59, 2016
5L8I
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BU of 5l8i by Molmil
crystal structure of human FABP6 apo-protein
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, DI(HYDROXYETHYL)ETHER, Gastrotropin, ...
Authors:Hendrick, A, Mueller, I, Leonard, P.M, Davenport, R, Mitchell, P.
Deposit date:2016-06-08
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Identification and Investigation of Novel Binding Fragments in the Fatty Acid Binding Protein 6 (FABP6).
J.Med.Chem., 59, 2016
4X7N
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BU of 4x7n by Molmil
Co-crystal Structure of PERK bound to 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor
Descriptor: 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, L(+)-TARTARIC ACID
Authors:Shaffer, P.L, Long, A.M, Chen, H.
Deposit date:2014-12-09
Release date:2015-01-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7J
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BU of 4x7j by Molmil
Co-crystal Structure of PERK with 2-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide inhibitor
Descriptor: 2-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, L(+)-TARTARIC ACID
Authors:Shaffer, P.L, Long, A.M, Chen, H.
Deposit date:2014-12-09
Release date:2015-01-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7K
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BU of 4x7k by Molmil
Co-crystal Structure of PERK bound to 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor
Descriptor: 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, ...
Authors:Shaffer, P.L, Long, A.M, Chen, H.
Deposit date:2014-12-09
Release date:2015-01-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7O
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BU of 4x7o by Molmil
Co-crystal Structure of PERK bound to 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone inhibitor
Descriptor: 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3
Authors:Shaffer, P.L, Long, A.M, Chen, H.
Deposit date:2014-12-09
Release date:2015-01-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7H
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BU of 4x7h by Molmil
Co-crystal Structure of PERK bound to N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide inhibitor
Descriptor: Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide, SULFATE ION
Authors:Shaffer, P.L, Bellon, S.F, Long, A.M, Chen, H.
Deposit date:2014-12-09
Release date:2015-02-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7L
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BU of 4x7l by Molmil
Co-crystal Structure of PERK bound to 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor
Descriptor: 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, ...
Authors:Shaffer, P.L, Long, A.M, Chen, H.
Deposit date:2014-12-09
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
7P6N
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BU of 7p6n by Molmil
ROCK2 IN COMPLEX WITH COMPOUND 12
Descriptor: Rho-associated protein kinase 2, ~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide
Authors:Maillard, M.C.
Deposit date:2021-07-16
Release date:2022-07-27
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of a Potent, Selective, and Brain-Penetrant Rho Kinase Inhibitor and its Activity in a Mouse Model of Huntington's Disease.
J.Med.Chem., 65, 2022
4WFD
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BU of 4wfd by Molmil
Structure of the Rrp6-Rrp47-Mtr4 interaction
Descriptor: ATP-dependent RNA helicase DOB1, Exosome complex exonuclease RRP6, Exosome complex protein LRP1, ...
Authors:Schuch, B, Conti, E.
Deposit date:2014-09-14
Release date:2014-10-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The exosome-binding factors Rrp6 and Rrp47 form a composite surface for recruiting the Mtr4 helicase.
Embo J., 33, 2014
4WFC
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BU of 4wfc by Molmil
Structure of the Rrp6-Rrp47 interaction
Descriptor: Exosome complex exonuclease RRP6, Exosome complex protein LRP1, SULFATE ION
Authors:Schuch, B, Conti, E.
Deposit date:2014-09-14
Release date:2014-10-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The exosome-binding factors Rrp6 and Rrp47 form a composite surface for recruiting the Mtr4 helicase.
Embo J., 33, 2014

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