Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
2WAC
DownloadVisualize
BU of 2wac by Molmil
Extended Tudor domain of Drosophila Melanogaster Tudor-SN (p100)
Descriptor: CG7008-PA
Authors:Friberg, A, Corsini, L, Sattler, M.
Deposit date:2009-02-04
Release date:2009-03-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and Ligand Binding of the Extended Tudor Domain of D. Melanogaster Tudor-Sn
J.Mol.Biol., 387, 2009
2XK0
DownloadVisualize
BU of 2xk0 by Molmil
Solution structure of the Tudor domain from Drosophila Polycomblike (Pcl)
Descriptor: POLYCOMB PROTEIN PCL
Authors:Friberg, A, Oddone, A, Klymenko, T, Mueller, J, Sattler, M.
Deposit date:2010-07-07
Release date:2010-08-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of an Atypical Tudor Domain in the Drosophila Polycomblike Protein
Protein Sci., 19, 2010
2N2J
DownloadVisualize
BU of 2n2j by Molmil
Solution structure of the EBNA-2 N-terminal Dimerization (END) domain from the Epstein-barr virus
Descriptor: Epstein-Barr nuclear antigen 2
Authors:Friberg, A, Sattler, M.
Deposit date:2015-05-09
Release date:2015-06-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The EBNA-2 N-Terminal Transactivation Domain Folds into a Dimeric Structure Required for Target Gene Activation.
Plos Pathog., 11, 2015
6SBU
DownloadVisualize
BU of 6sbu by Molmil
X-ray Structure of Human LDHA with an Allosteric Inhibitor (Compound 3)
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid, L-lactate dehydrogenase A chain
Authors:Friberg, A, Puetter, V, Nguyen, D, Rehwinkel, H.
Deposit date:2019-07-22
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structural Evidence for Isoform-Selective Allosteric Inhibition of Lactate Dehydrogenase A.
Acs Omega, 5, 2020
6SBV
DownloadVisualize
BU of 6sbv by Molmil
X-ray Structure of Human LDH-A with an Allosteric Inhibitor (Compound 7)
Descriptor: L-lactate dehydrogenase A chain, ~{N}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide
Authors:Friberg, A, Puetter, V, Nguyen, D, Rehwinkel, H.
Deposit date:2019-07-22
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Evidence for Isoform-Selective Allosteric Inhibition of Lactate Dehydrogenase A.
Acs Omega, 5, 2020
4HW4
DownloadVisualize
BU of 4hw4 by Molmil
Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 BH3 peptide
Authors:Friberg, A, Zhao, B.
Deposit date:2012-11-07
Release date:2013-01-09
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
6QU7
DownloadVisualize
BU of 6qu7 by Molmil
Crystal structure of human DHODH in complex with BAY 2402234
Descriptor: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Friberg, A, Gradl, S.
Deposit date:2019-02-26
Release date:2019-06-05
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The novel dihydroorotate dehydrogenase (DHODH) inhibitor BAY 2402234 triggers differentiation and is effective in the treatment of myeloid malignancies.
Leukemia, 33, 2019
6TAM
DownloadVisualize
BU of 6tam by Molmil
X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 3)
Descriptor: 7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Friberg, A, Nguyen, D.
Deposit date:2019-10-30
Release date:2020-04-08
Last modified:2020-06-03
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C.
Chemmedchem, 15, 2020
8AQM
DownloadVisualize
BU of 8aqm by Molmil
Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 6a)
Descriptor: 2-chloranyl-~{N}-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
Authors:Friberg, A, Orsi, D.L, Pook, E, Braeuer, N, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
Deposit date:2022-08-12
Release date:2022-11-09
Last modified:2022-12-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 .
J.Med.Chem., 65, 2022
8AQN
DownloadVisualize
BU of 8aqn by Molmil
Crystal structure of PPARG and NCOR2 with BAY-4931, an inverse agonist (compound 6c)
Descriptor: 2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, CALCIUM ION, GLYCEROL, ...
Authors:Friberg, A, Orsi, D.L, Pook, E, Braeuer, N, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
Deposit date:2022-08-12
Release date:2022-11-09
Last modified:2022-12-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 .
J.Med.Chem., 65, 2022
8B8X
DownloadVisualize
BU of 8b8x by Molmil
Crystal structure of PPARG and NCOR2 with SR10221, an inverse agonist
Descriptor: (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
Authors:Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
Deposit date:2022-10-05
Release date:2022-12-28
Last modified:2023-01-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
8B90
DownloadVisualize
BU of 8b90 by Molmil
Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7d)
Descriptor: 5-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
Authors:Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
Deposit date:2022-10-05
Release date:2022-12-28
Last modified:2023-01-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
8B91
DownloadVisualize
BU of 8b91 by Molmil
Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound SI-1)
Descriptor: Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma, ~{N}3-[4-[bis(fluoranyl)methoxy]-3-fluoranyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
Authors:Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
Deposit date:2022-10-05
Release date:2022-12-28
Last modified:2023-01-04
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
8B93
DownloadVisualize
BU of 8b93 by Molmil
Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 15b)
Descriptor: 4-chloranyl-6-fluoranyl-~{N}1-[[4-fluoranyl-2-(2-methoxyethoxymethyl)phenyl]methyl]-~{N}3-[2-methyl-4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
Authors:Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
Deposit date:2022-10-05
Release date:2022-12-28
Last modified:2023-01-04
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
8B94
DownloadVisualize
BU of 8b94 by Molmil
Crystal structure of PPARG and NCOR2 with BAY-5516, an inverse agonist
Descriptor: Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma, ~{N}3-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
Authors:Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
Deposit date:2022-10-05
Release date:2022-12-28
Last modified:2023-01-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
8B95
DownloadVisualize
BU of 8b95 by Molmil
Crystal structure of PPARG and NCOR2 with BAY-9683, an inverse agonist
Descriptor: Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma, ~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide
Authors:Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
Deposit date:2022-10-05
Release date:2022-12-28
Last modified:2023-01-04
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
8B8W
DownloadVisualize
BU of 8b8w by Molmil
Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7a)
Descriptor: 4-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, GLYCEROL, Nuclear receptor corepressor 2, ...
Authors:Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
Deposit date:2022-10-05
Release date:2022-12-28
Last modified:2023-01-04
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
8B8Z
DownloadVisualize
BU of 8b8z by Molmil
Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound 7e)
Descriptor: 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
Authors:Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
Deposit date:2022-10-05
Release date:2022-12-28
Last modified:2023-01-04
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
8B92
DownloadVisualize
BU of 8b92 by Molmil
Crystal structure of PPARG and NCOR2 with an inverse agonist (compound SI-2)
Descriptor: 4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma, ...
Authors:Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
Deposit date:2022-10-05
Release date:2022-12-28
Last modified:2023-01-04
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
4UQT
DownloadVisualize
BU of 4uqt by Molmil
RRM-peptide structure in RES complex
Descriptor: PRE-MRNA-SPLICING FACTOR CWC26, U2 SNRNP COMPONENT IST3
Authors:Tripsianes, K, Friberg, A, Barrandon, C, Seraphin, B, Sattler, M.
Deposit date:2014-06-25
Release date:2014-09-03
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A Novel Protein-Protein Interaction in the Res (Retention and Splicing) Complex.
J.Biol.Chem., 289, 2014
8B8Y
DownloadVisualize
BU of 8b8y by Molmil
Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7e)
Descriptor: 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
Authors:Holton, S.J, Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
Deposit date:2022-10-05
Release date:2022-12-28
Last modified:2023-01-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
4HW2
DownloadVisualize
BU of 4hw2 by Molmil
Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
Descriptor: 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, ...
Authors:Zhao, B.
Deposit date:2012-11-07
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
4HW3
DownloadVisualize
BU of 4hw3 by Molmil
Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
Descriptor: 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhao, B.
Deposit date:2012-11-07
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
4PZY
DownloadVisualize
BU of 4pzy by Molmil
Second-site screening of K-Ras in the presence of covalently attached first-site ligands
Descriptor: 2-chloro-1-(1H-indol-3-yl)ethanone, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ...
Authors:Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W.
Deposit date:2014-03-31
Release date:2014-09-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
4Q01
DownloadVisualize
BU of 4q01 by Molmil
Second-site screening of K-Ras in the presence of covalently attached first-site ligands
Descriptor: GUANOSINE-5'-DIPHOSPHATE, K-Ras, MAGNESIUM ION, ...
Authors:Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W.
Deposit date:2014-03-31
Release date:2014-09-10
Method:X-RAY DIFFRACTION (1.291 Å)
Cite:A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014

 

12>

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon