Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
4EHR
DownloadVisualize
BU of 4ehr by Molmil
Crystal structure of Bcl-Xl complex with 4-(5-butyl-3-(hydroxymethyl)-1-phenyl-1h-pyrazol-4-yl)-3-(3,4-dihydro-2(1h)-isoquinolinylcarbonyl)-n-((2-(trimethylsilyl)ethyl)sulfonyl)benzamide
Descriptor: 4-[5-butyl-3-(hydroxymethyl)-1-phenyl-1H-pyrazol-4-yl]-3-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-N-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide, Bcl-2-like protein 1, IMIDAZOLE
Authors:Schroeder, G.M, Wei, D, Banfi, P, Cai, Z, Lippy, J, Menichincheri, M, Modugno, M, Naglich, J, Penhallow, B, Perez, H.L, Sack, J, Schmidt, R.J, Tebben, A, Yan, C, Zhang, L, Galvani, A, Lombardo, L.J, Borzilleri, R.M.
Deposit date:2012-04-03
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Pyrazole and pyrimidine phenylacylsulfonamides as dual Bcl-2/Bcl-xL antagonists.
Bioorg.Med.Chem.Lett., 22, 2012
4ZIM
DownloadVisualize
BU of 4zim by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH A 9H-CARBAZOLE-1-CARBOXAMIDE INHIBITOR
Descriptor: 3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9H-carbazole-1-carboxamide, Tyrosine-protein kinase JAK2
Authors:Sack, J.S.
Deposit date:2015-04-28
Release date:2015-06-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:9H-Carbazole-1-carboxamides as potent and selective JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
6B8Y
DownloadVisualize
BU of 6b8y by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Descriptor: N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2017-10-09
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Heterobicyclic inhibitors of transforming growth factor beta receptor I (TGF beta RI).
Bioorg. Med. Chem., 26, 2018
2REW
DownloadVisualize
BU of 2rew by Molmil
Crystal Structure of PPARalpha ligand binding domain with BMS-631707
Descriptor: (2S,3S)-1-(4-METHOXYPHENYL)-3-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-4-OXOAZETIDINE-2-CARBOXYLIC ACID, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE, Peroxisome proliferator-activated receptor alpha
Authors:Muckelbauer, J.
Deposit date:2007-09-27
Release date:2007-11-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of Azetidinone Acids as Conformationally-Constrained Dual (alpha/gamma) PPAR Activators
To be Published
5VLR
DownloadVisualize
BU of 5vlr by Molmil
CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR
Descriptor: 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Sack, J.S.
Deposit date:2017-04-26
Release date:2017-06-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase delta (PI3K delta ) Inhibitor for the Treatment of Immunological Disorders.
J. Med. Chem., 60, 2017
3Q32
DownloadVisualize
BU of 3q32 by Molmil
Structure of Janus kinase 2 with a pyrrolotriazine inhibitor
Descriptor: 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone, Tyrosine-protein kinase JAK2
Authors:Sack, J.S.
Deposit date:2010-12-21
Release date:2011-02-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Pyrrolo[1,2-f]triazines as JAK2 inhibitors: Achieving potency and selectivity for JAK2 over JAK3.
Bioorg.Med.Chem.Lett., 21, 2011
3F82
DownloadVisualize
BU of 3f82 by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor C-MET in complex with N-(4-(2-amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Descriptor: N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide, hepatocyte growth factor receptor
Authors:Sack, J.
Deposit date:2008-11-11
Release date:2009-03-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of N-(4-(2-Amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide (BMS-777607), a Selective and Orally Efficacious Inhibitor of the Met Kinase Superfamily
J.Med.Chem., 52, 2009
3CE3
DownloadVisualize
BU of 3ce3 by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor C-MET in complex with a Pyrrolopyridinepyridone based inhibitor
Descriptor: 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide, Hepatocyte growth factor receptor
Authors:Sack, J.
Deposit date:2008-02-28
Release date:2008-08-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of pyrrolopyridine-pyridone based inhibitors of Met kinase: synthesis, X-ray crystallographic analysis, and biological activities.
J.Med.Chem., 51, 2008
4AQ3
DownloadVisualize
BU of 4aq3 by Molmil
HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR
Descriptor: APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide
Authors:Bertrand, J.A, Fasolini, M, Modugno, M.
Deposit date:2012-04-12
Release date:2012-06-06
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of a Phenylacylsulfonamide Series of Dual Bcl-2/Bcl-Xl Antagonists.
Bioorg.Med.Chem.Lett., 22, 2012
3BC5
DownloadVisualize
BU of 3bc5 by Molmil
X-ray crystal structure of human ppar gamma with 2-(5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid
Descriptor: (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid, Peroxisome proliferator-activated receptor gamma
Authors:Muckelbauer, J.K.
Deposit date:2007-11-12
Release date:2008-11-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Design, synthesis and structure-activity relationships of azole acids as novel, potent dual PPAR alpha/gamma agonists.
Bioorg.Med.Chem.Lett., 19, 2009
5CF5
DownloadVisualize
BU of 5cf5 by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-7-[(DIMETHYL-1,3-THIAZOL-2-YL)AMINO]-10-ETHYL-3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.02,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE
Descriptor: N,N-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
Authors:Sack, J.S.
Deposit date:2015-07-08
Release date:2015-08-26
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5CF4
DownloadVisualize
BU of 5cf4 by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE
Descriptor: N,N-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
Authors:Sack, J.S.
Deposit date:2015-07-08
Release date:2015-08-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5CF6
DownloadVisualize
BU of 5cf6 by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-[(2S)-2,3-DIHYDROXYPROPYL]-3-METHYL-7-(METHYLAMINO)-3,5,8,10-TETRAAZATRICYCLO [7.3.0.02,6]DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE
Descriptor: N,N-dicyclopropyl-6-[(2S)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
Authors:Sack, J.S.
Deposit date:2015-07-08
Release date:2015-08-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5CF8
DownloadVisualize
BU of 5cf8 by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE
Descriptor: N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
Authors:Sack, J.S.
Deposit date:2015-07-08
Release date:2015-08-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms.
Acs Med.Chem.Lett., 6, 2015
5QTZ
DownloadVisualize
BU of 5qtz by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[1-(2,2-DIFLUOROETHYL)-4-(6-METHYLPYRIDIN-2-YL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-A]PYRIDINE
Descriptor: 6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine, GLYCEROL, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2019-11-19
Release date:2020-02-05
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent.
Acs Med.Chem.Lett., 11, 2020
5QU0
DownloadVisualize
BU of 5qu0 by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[4-(3-CHLORO-4-FLUOROPHENYL)-1-(2-HYDROXYETHYL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-B]PYRIDAZINE-3-CARBONITRILE
Descriptor: 6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile, GLYCEROL, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2019-11-19
Release date:2020-02-05
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent.
Acs Med.Chem.Lett., 11, 2020
5QIN
DownloadVisualize
BU of 5qin by Molmil
TGF-BETA RECEPTOR TYPE 2 KINASE DOMAIN IN COMPLEX WITH N- {4-[3-(6-METHOXYPYRIDIN-3-YL)-1H-PYRROLO[3,2-B]PYRIDIN-2- YL]PYRIDIN-2-YL}ACETAMIDE
Descriptor: GLYCEROL, MAGNESIUM ION, N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide, ...
Authors:Sheriff, S.
Deposit date:2018-08-05
Release date:2018-10-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
5QIM
DownloadVisualize
BU of 5qim by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(5-METHOXYPYRIDIN-2-YL)-1H-PYRROLO[3,2-B] PYRIDIN-2-YL]PYRIDIN-2-YL}ACETAMIDE
Descriptor: GLYCEROL, N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2018-08-05
Release date:2018-10-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
5QIL
DownloadVisualize
BU of 5qil by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-METHOXYPYRIDIN-3-YL)-1H-PYRROLO[3,2-B]PYRIDIN-2-YL]PYRIDIN-2-YL}ACETAMIDE
Descriptor: N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2018-08-05
Release date:2018-10-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
5QIK
DownloadVisualize
BU of 5qik by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide
Descriptor: GLYCEROL, N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2018-08-05
Release date:2018-10-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
5F95
DownloadVisualize
BU of 5f95 by Molmil
Crystal structure of GSK3b in complex with Compound 18: 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide
Descriptor: 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Kish, K, Luo, G, Dubowchick, G.M.
Deposit date:2015-12-09
Release date:2016-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.525 Å)
Cite:Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors.
J.Med.Chem., 59, 2016
5F94
DownloadVisualize
BU of 5f94 by Molmil
Crystal structure of GSK3b in complex with Compound 15: 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide
Descriptor: 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Kish, K, Luo, G, Dubowchick, G.M.
Deposit date:2015-12-09
Release date:2016-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors.
J.Med.Chem., 59, 2016
3KDU
DownloadVisualize
BU of 3kdu by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-((4-methylphenoxy)carbonyl)glycine
Descriptor: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine, Peroxisome proliferator-activated receptor alpha
Authors:Muckelbauer, J.K.
Deposit date:2009-10-23
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
3KDT
DownloadVisualize
BU of 3kdt by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-(methoxycarbonyl)glycine
Descriptor: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine, Peroxisome proliferator-activated receptor alpha
Authors:Muckelbauer, J.K.
Deposit date:2009-10-23
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon