Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
4EH3
DownloadVisualize
BU of 4eh3 by Molmil
Human p38 MAP kinase in complex with NP-F2 and RL87
Descriptor: Mitogen-activated protein kinase 14, NARINGENIN, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
Authors:Over, B, Gruetter, C, Waldmann, H, Rauh, D.
Deposit date:2012-04-02
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4EH6
DownloadVisualize
BU of 4eh6 by Molmil
Human p38 MAP kinase in complex with NP-F5 and RL87
Descriptor: Mitogen-activated protein kinase 14, N-phenylpyridine-3-carboxamide, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
Authors:Over, B, Gruetter, C, Waldmann, H, Rauh, D.
Deposit date:2012-04-02
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4EH7
DownloadVisualize
BU of 4eh7 by Molmil
Human p38 MAP kinase in complex with NP-F6 and RL87
Descriptor: (3-phenoxyphenyl)methanol, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
Authors:Over, B, Gruetter, C, Waldmann, H, Rauh, D.
Deposit date:2012-04-02
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4EHV
DownloadVisualize
BU of 4ehv by Molmil
Human p38 MAP kinase in complex with NP-F10 and RL87
Descriptor: (1R,5S)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
Authors:Over, B, Gruetter, C, Waldmann, H, Rauh, D.
Deposit date:2012-04-04
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4EH4
DownloadVisualize
BU of 4eh4 by Molmil
Human p38 MAP kinase in complex with NP-F3 and RL87
Descriptor: Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, phenyl(piperidin-1-yl)methanone
Authors:Over, B, Gruetter, C, Waldmann, H, Rauh, D.
Deposit date:2012-04-02
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4EH8
DownloadVisualize
BU of 4eh8 by Molmil
Human p38 MAP kinase in complex with NP-F7 and RL87
Descriptor: Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, [3-(benzyloxy)phenyl]methanol
Authors:Over, B, Gruetter, C, Waldmann, H, Rauh, D.
Deposit date:2012-04-02
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4EH2
DownloadVisualize
BU of 4eh2 by Molmil
Human p38 MAP kinase in complex with NP-F1 and RL87
Descriptor: 3-phenylquinazolin-4(3H)-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
Authors:Over, B, Gruetter, C, Waldmann, H, Rauh, D.
Deposit date:2012-04-02
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4EH9
DownloadVisualize
BU of 4eh9 by Molmil
Human p38 MAP kinase in complex with NP-F11 and RL87
Descriptor: (1R,5S)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
Authors:Over, B, Gruetter, C, Waldmann, H, Rauh, D.
Deposit date:2012-04-02
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4EH5
DownloadVisualize
BU of 4eh5 by Molmil
Human p38 MAP kinase in complex with NP-F4 and RL87
Descriptor: Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, benzyl pyridine-3-carboxylate
Authors:Over, B, Gruetter, C, Waldmann, H, Rauh, D.
Deposit date:2012-04-02
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
6Z6A
DownloadVisualize
BU of 6z6a by Molmil
Keap1 macrocycle complex
Descriptor: (5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1, ...
Authors:Johansson, P.
Deposit date:2020-05-28
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Mining Natural Products for Macrocycles to Drug Difficult Targets.
J.Med.Chem., 64, 2021
3F2P
DownloadVisualize
BU of 3f2p by Molmil
Thermolysin inhibition
Descriptor: 3-methyl-2-(propanoyloxy)benzoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Englert, L, Heine, A, Klebe, G.
Deposit date:2008-10-30
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment-Based Lead Discovery: Screening and Optimizing Fragments for Thermolysin Inhibition.
Chemmedchem, 5, 2010
3FCQ
DownloadVisualize
BU of 3fcq by Molmil
Thermolysin inhibition
Descriptor: 2-(acetyloxy)-3-methylbenzoic acid, CALCIUM ION, Thermolysin, ...
Authors:Steuber, H, Englert, L, Silber, K, Heine, A, Klebe, G.
Deposit date:2008-11-22
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fragment-Based Lead Discovery: Screening and Optimizing Fragments for Thermolysin Inhibition.
Chemmedchem, 5, 2010
3F28
DownloadVisualize
BU of 3f28 by Molmil
Thermolysin inhibition
Descriptor: 2-[(cyclopropylcarbonyl)oxy]-3-methylbenzoic acid, CALCIUM ION, Thermolysin, ...
Authors:Englert, L, Heine, A, Klebe, G.
Deposit date:2008-10-29
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Fragment-Based Lead Discovery: Screening and Optimizing Fragments for Thermolysin Inhibition.
Chemmedchem, 5, 2010

222036

PDB entries from 2024-07-03

PDB statisticsPDBj update infoContact PDBjnumon