Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
5FP0
DownloadVisualize
BU of 5fp0 by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-4-sulfonamide
Authors:Xue, Y, Olsson, T, Johansson, C.A, Oster, L, Beisel, H.G, Rohman, M, Karis, D, Backstrom, S.
Deposit date:2015-11-26
Release date:2016-03-02
Last modified:2016-03-16
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Fragment Screening of Soluble Epoxide Hydrolase for Lead Generation-Structure-Based Hit Evaluation and Chemistry Exploration.
Chemmedchem, 11, 2016
4D76
DownloadVisualize
BU of 4d76 by Molmil
Human FXIa in complex with small molecule inhibitors.
Descriptor: COAGULATION FACTOR XI, GLYCEROL, N-[(2S)-1-({5-[(diaminomethylidene)amino]pentyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide, ...
Authors:Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T.
Deposit date:2014-11-20
Release date:2016-01-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd).
To be Published
4D7F
DownloadVisualize
BU of 4d7f by Molmil
Human FXIa in complex with small molecule inhibitors.
Descriptor: COAGULATION FACTOR XI, GLYCEROL, N-[(2S)-1-({4-[(diaminomethylidene)amino]butyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide, ...
Authors:Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T.
Deposit date:2014-11-24
Release date:2016-01-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd).
To be Published
4D7G
DownloadVisualize
BU of 4d7g by Molmil
Human FXIa in complex with small molecule inhibitors.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COAGULATION FACTOR XIA, GLYCEROL, ...
Authors:Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T.
Deposit date:2014-11-24
Release date:2016-01-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd).
To be Published
4CRG
DownloadVisualize
BU of 4crg by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Descriptor: 6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide, COAGULATION FACTOR XI, GLYCEROL, ...
Authors:Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
Deposit date:2014-02-26
Release date:2015-02-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRE
DownloadVisualize
BU of 4cre by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Descriptor: 6-chloro-4-methyl-1H-quinolin-2-one, COAGULATION FACTOR XI, SULFATE ION
Authors:Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
Deposit date:2014-02-26
Release date:2015-02-11
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CR5
DownloadVisualize
BU of 4cr5 by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Descriptor: 6-chloroquinolin-2(1H)-one, COAGULATION FACTOR XIA, SULFATE ION
Authors:Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
Deposit date:2014-02-25
Release date:2015-02-11
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CR9
DownloadVisualize
BU of 4cr9 by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Descriptor: 4-methylquinoline-2,6-diamine, COAGULATION FACTOR XI, SULFATE ION
Authors:Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
Deposit date:2014-02-26
Release date:2015-02-11
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRC
DownloadVisualize
BU of 4crc by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Descriptor: (2S)-2-[[(E)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide, COAGULATION FACTOR XI, SULFATE ION
Authors:Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
Deposit date:2014-02-26
Release date:2015-02-11
Last modified:2015-08-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRA
DownloadVisualize
BU of 4cra by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Descriptor: COAGULATION FACTOR XI, GLYCEROL, N-[(1S)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
Authors:Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
Deposit date:2014-02-26
Release date:2015-02-11
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRB
DownloadVisualize
BU of 4crb by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Descriptor: COAGULATION FACTOR XI, GLYCEROL, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
Authors:Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
Deposit date:2014-02-26
Release date:2015-02-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRD
DownloadVisualize
BU of 4crd by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Descriptor: COAGULATION FACTOR XI, Methyl N-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1H-imidazol-4-yl]phenyl]carbamate, SULFATE ION
Authors:Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
Deposit date:2014-02-26
Release date:2015-02-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRF
DownloadVisualize
BU of 4crf by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Descriptor: CHLORIDE ION, Coagulation factor XIa light chain, GLYCEROL, ...
Authors:Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
Deposit date:2014-02-26
Release date:2015-02-11
Last modified:2022-05-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4UY1
DownloadVisualize
BU of 4uy1 by Molmil
Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors
Descriptor: 5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sandmark, J, Oster, L, Hallberg, K, Bodin, C, Chen, H.
Deposit date:2014-08-28
Release date:2014-10-15
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Novel Pyrazole Series of Group X Secreted Phospholipase A2 Inhibitor (Spla2X) Via Fragment Based Virtual Screening
Bioorg.Med.Chem.Lett., 24, 2014
4P10
DownloadVisualize
BU of 4p10 by Molmil
pro-carboxypeptidase U In Complex With 5-(3-aminopropyl)-1-propyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid
Descriptor: (5R)-5-(3-aminopropyl)-1-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-5-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Carboxypeptidase B2, ...
Authors:Hallberg, K, Sjogren, T.
Deposit date:2014-02-21
Release date:2014-08-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and synthesis of conformationally restricted inhibitors of active thrombin activatable fibrinolysis inhibitor (TAFIa).
Bioorg.Med.Chem., 22, 2014
5OWC
DownloadVisualize
BU of 5owc by Molmil
Indole-2 carboxamides as selective secreted phospholipase A2 type X (sPLA2-X) inhibitors
Descriptor: 3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sandmark, J.S, Roth, R.G, Knerr, L, Bodin, C, Pettersen, D.
Deposit date:2017-08-31
Release date:2018-08-01
Last modified:2021-05-05
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2Type X (sPLA2-X) Inhibitors.
Acs Med.Chem.Lett., 9, 2018
5OW8
DownloadVisualize
BU of 5ow8 by Molmil
Indole-2 carboxamides as selective secreted phospholipase A2 type X (sPLA2-X) inhibitors
Descriptor: 1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide, CALCIUM ION, CHLORIDE ION, ...
Authors:Sandmark, J.S, Roth, R.G, Knerr, L, Bodin, C, Pettersen, D.
Deposit date:2017-08-31
Release date:2018-08-01
Last modified:2021-05-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2Type X (sPLA2-X) Inhibitors.
Acs Med.Chem.Lett., 9, 2018

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon