Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
8R7G
DownloadVisualize
BU of 8r7g by Molmil
Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234
Descriptor: 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide, Activin receptor type I
Authors:Williams, E.P, Cros, J, Ensan, D, Smil, D, Edwards, A.M, O'Meara, J.A, Fernandez-Cid, A, Isaac, M.B, Al-awar, R, Bullock, A.N.
Deposit date:2023-11-24
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
4I32
DownloadVisualize
BU of 4i32 by Molmil
Crystal structure of HCV NS3/4A D168V protease complexed with compound 4
Descriptor: (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ...
Authors:Lemke, C.T.
Deposit date:2012-11-23
Release date:2013-01-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3001 Å)
Cite:Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance.
J.Biol.Chem., 288, 2013
4I33
DownloadVisualize
BU of 4i33 by Molmil
Crystal structure of HCV NS3/4A R155K protease complexed with compound 4
Descriptor: (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ...
Authors:Lemke, C.T.
Deposit date:2012-11-23
Release date:2013-01-02
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.9001 Å)
Cite:Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance.
J.Biol.Chem., 288, 2013
4I31
DownloadVisualize
BU of 4i31 by Molmil
Crystal structure of HCV NS3/NS4A protease complexed with compound 4
Descriptor: (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ...
Authors:Lemke, C.T.
Deposit date:2012-11-23
Release date:2013-01-02
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.9301 Å)
Cite:Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance.
J.Biol.Chem., 288, 2013
6T6D
DownloadVisualize
BU of 6t6d by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2149
Descriptor: 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide, Activin receptor type I, SULFATE ION
Authors:Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2019-10-18
Release date:2019-10-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
6SZM
DownloadVisualize
BU of 6szm by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2009
Descriptor: 1,2-ETHANEDIOL, 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine, AMMONIUM ION, ...
Authors:Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2019-10-02
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020

227111

PDB entries from 2024-11-06

PDB statisticsPDBj update infoContact PDBjnumon