Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
5T8O
DownloadVisualize
BU of 5t8o by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to Imidazobenzoxepin Compound 3
Descriptor: 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
Authors:Smith, M.A, McEwan, P, Hymowitz, S.G.
Deposit date:2016-09-08
Release date:2017-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
6MYN
DownloadVisualize
BU of 6myn by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to inhibitor R7
Descriptor: (5s,7s)-9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
Authors:Harris, S.F, Smith, M, Barker, J.
Deposit date:2018-11-01
Release date:2019-08-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.744 Å)
Cite:Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).
Acs Med.Chem.Lett., 10, 2019
5T8Q
DownloadVisualize
BU of 5t8q by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to aryl pyrrole fragment 17
Descriptor: 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
Authors:Smith, M.A, McEwan, P.A, Hymowitz, S.G.
Deposit date:2016-09-08
Release date:2017-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
8OUS
DownloadVisualize
BU of 8ous by Molmil
CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 19
Descriptor: (1S)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol, Mitogen-activated protein kinase kinase kinase 12
Authors:Zebisch, M, McEwan, P.A, Barker, J.J, Cross, J.B.
Deposit date:2023-04-24
Release date:2023-07-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
8OUR
DownloadVisualize
BU of 8our by Molmil
CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 16
Descriptor: 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-yl-imidazol-4-yl]-3-(trifluoromethyloxy)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
Authors:Zebisch, M, McEwan, P.A, Barker, J.J, Cross, J.B.
Deposit date:2023-04-24
Release date:2023-07-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
5W5Q
DownloadVisualize
BU of 5w5q by Molmil
MAP4K4 in complex with inhibitor compound 12 (N3-methyl-10-(3-methyl-3-(5-methyloxazol-2-yl)but-1-yn-1-yl)-6,7-dihydro-5H-5,7-methanobenzo[c]imidazo[1,2-a]azepine-2,3-dicarboxamide)
Descriptor: (5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase kinase 4
Authors:Harris, S.F, Wu, P.
Deposit date:2017-06-15
Release date:2018-06-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).
Acs Med.Chem.Lett., 10, 2019
5T8P
DownloadVisualize
BU of 5t8p by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to benzoxepin compound 2
Descriptor: 6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
Authors:Smith, M.A, McEwan, P.A.
Deposit date:2016-09-08
Release date:2017-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
2M32
DownloadVisualize
BU of 2m32 by Molmil
Alpha-1 integrin I-domain in complex with GLOGEN triple helical peptide
Descriptor: GLOGEN peptide, Integrin alpha-1, MAGNESIUM ION
Authors:Chin, Y, Headey, S, Mohanty, B, McEwan, P, Swarbrick, J, Mulhern, T, Emsley, J, Simpson, J, Scanlon, M.
Deposit date:2013-01-07
Release date:2013-11-06
Last modified:2014-02-12
Method:SOLUTION NMR
Cite:The Structure of Integrin alpha 1I Domain in Complex with a Collagen-mimetic Peptide.
J.Biol.Chem., 288, 2013
8OUT
DownloadVisualize
BU of 8out by Molmil
CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 22
Descriptor: (1R)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol, Mitogen-activated protein kinase kinase kinase 12
Authors:Zebisch, M, Akkermans, O, Barker, J.J, Cross, J.B.
Deposit date:2023-04-24
Release date:2023-07-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.935 Å)
Cite:Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
5N0M
DownloadVisualize
BU of 5n0m by Molmil
hPAD4 crystal complex with BB-F-amidine
Descriptor: CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ...
Authors:Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S.
Deposit date:2017-02-03
Release date:2017-05-24
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
5N0Y
DownloadVisualize
BU of 5n0y by Molmil
hPAD4 crystal complex with AFM-30a
Descriptor: CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ...
Authors:Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S.
Deposit date:2017-02-03
Release date:2017-05-24
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
5N0Z
DownloadVisualize
BU of 5n0z by Molmil
hPAD4 crystal complex with AFM-41a
Descriptor: 2-ethyl-~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxamide, CALCIUM ION, Protein-arginine deiminase type-4, ...
Authors:Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S.
Deposit date:2017-02-03
Release date:2017-05-24
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
5N1B
DownloadVisualize
BU of 5n1b by Molmil
hPAD4 crystal complex with AFM-14a
Descriptor: CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ...
Authors:Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S.
Deposit date:2017-02-06
Release date:2017-05-24
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
5T8F
DownloadVisualize
BU of 5t8f by Molmil
p110delta/p85alpha with taselisib (GDC-0032)
Descriptor: 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Moertl, M, Steinbacher, S, Eigenbrot, C.
Deposit date:2016-09-07
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
7T4V
DownloadVisualize
BU of 7t4v by Molmil
Crystal Structure of cGMP-dependent Protein Kinase
Descriptor: 4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)-3-methylbenzoic acid, CHLORIDE ION, cGMP-dependent protein kinase 1
Authors:Zebisch, M, Silvestre, L, Fischmann, T.O.
Deposit date:2021-12-10
Release date:2023-06-14
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Selective small molecule activation of PKG1alpha: structure and function
Commun Biol, 2023
7T4W
DownloadVisualize
BU of 7t4w by Molmil
Crystal Structure of cGMP-dependent Protein Kinase
Descriptor: (2R)-2-({(2S,3S)-1-[(1H-benzimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl}oxy)-2-(3,5-dichlorophenyl)ethan-1-ol, CHLORIDE ION, cGMP-dependent protein kinase 1
Authors:Zebisch, M, Silvestre, L, Fischmann, T.O.
Deposit date:2021-12-10
Release date:2023-06-14
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Selective small molecule activation of PKG1alpha: structure and function
Commun Biol, 2023
7T4T
DownloadVisualize
BU of 7t4t by Molmil
Crystal Structure of cGMP-dependent Protein Kinase
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:Zebisch, M, Silvestre, L, Fischmann, T.O.
Deposit date:2021-12-10
Release date:2023-06-14
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Selective small molecule activation of PKG1alpha: structure and function
Commun Biol, 2023
7T4U
DownloadVisualize
BU of 7t4u by Molmil
Crystal Structure of cGMP-dependent Protein Kinase
Descriptor: 3-amino-4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)benzoic acid, cGMP-dependent protein kinase 1
Authors:Zebisch, M, Silvestre, L, Fischmann, T.O.
Deposit date:2021-12-10
Release date:2023-06-14
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Selective small molecule activation of PKG1alpha: structure and function
Commun Biol, 2023

225158

PDB entries from 2024-09-18

PDB statisticsPDBj update infoContact PDBjnumon