6HNZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hnz by Molmil](/molmil-images/mine/6hnz) | TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41231 | Descriptor: | 4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one, HTH-type transcriptional regulator EthR | Authors: | Wintjens, R, Wohlkonig, A. | Deposit date: | 2018-09-17 | Release date: | 2018-12-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR. Biochim Biophys Acta Proteins Proteom, 1867, 2018
|
|
6HO2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ho2 by Molmil](/molmil-images/mine/6ho2) | |
6HO7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ho7 by Molmil](/molmil-images/mine/6ho7) | |
6HO0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ho0 by Molmil](/molmil-images/mine/6ho0) | TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41325 | Descriptor: | 4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one, HTH-type transcriptional regulator EthR | Authors: | Wintjens, R, Wohlkonig, A. | Deposit date: | 2018-09-17 | Release date: | 2018-12-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR. Biochim Biophys Acta Proteins Proteom, 1867, 2018
|
|
6HO6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ho6 by Molmil](/molmil-images/mine/6ho6) | |
6HO4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ho4 by Molmil](/molmil-images/mine/6ho4) | TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44693 | Descriptor: | 4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, GLYCEROL, HTH-type transcriptional regulator EthR | Authors: | Wintjens, R, Wohlkonig, A. | Deposit date: | 2018-09-17 | Release date: | 2018-12-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR. Biochim Biophys Acta Proteins Proteom, 1867, 2018
|
|
6HOA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hoa by Molmil](/molmil-images/mine/6hoa) | TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44830 | Descriptor: | 4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, GLYCEROL, HTH-type transcriptional regulator EthR | Authors: | Wintjens, R, Wohlkonig, A. | Deposit date: | 2018-09-17 | Release date: | 2018-12-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR. Biochim Biophys Acta Proteins Proteom, 1867, 2018
|
|
6HOE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hoe by Molmil](/molmil-images/mine/6hoe) | |
6HO9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ho9 by Molmil](/molmil-images/mine/6ho9) | TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44825 | Descriptor: | 4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, HTH-type transcriptional regulator EthR | Authors: | Wintjens, R, Wohlkonig, A. | Deposit date: | 2018-09-17 | Release date: | 2018-12-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR. Biochim Biophys Acta Proteins Proteom, 1867, 2018
|
|
6HO8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ho8 by Molmil](/molmil-images/mine/6ho8) | |
6E4X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e4x by Molmil](/molmil-images/mine/6e4x) | |
6E56
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e56 by Molmil](/molmil-images/mine/6e56) | |
3FMZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fmz by Molmil](/molmil-images/mine/3fmz) | |
3FUR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fur by Molmil](/molmil-images/mine/3fur) | Crystal Structure of PPARg in complex with INT131 | Descriptor: | 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide, CHLORIDE ION, Nuclear receptor coactivator 1, ... | Authors: | Wang, Z, Liu, J, Walker, N. | Deposit date: | 2009-01-14 | Release date: | 2009-06-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | INT131: a selective modulator of PPAR gamma. J.Mol.Biol., 386, 2009
|
|
5WOP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wop by Molmil](/molmil-images/mine/5wop) | High Resolution Structure of Mutant CA09-PB2cap | Descriptor: | GLYCEROL, Polymerase PB2 | Authors: | Constantinides, A.E, Gumpper, R.H, Severin, C, Luo, M. | Deposit date: | 2017-08-02 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | High-resolution structure of the Influenza A virus PB2cap binding domain illuminates the changes induced by ligand binding. Acta Crystallogr F Struct Biol Commun, 74, 2018
|
|
3HAZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3haz by Molmil](/molmil-images/mine/3haz) | Crystal structure of bifunctional proline utilization A (PutA) protein | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Tanner, J.J. | Deposit date: | 2009-05-03 | Release date: | 2010-02-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the bifunctional proline utilization A flavoenzyme from Bradyrhizobium japonicum Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
5DI1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5di1 by Molmil](/molmil-images/mine/5di1) | MAP4K4 in complex with an inhibitor | Descriptor: | 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol, Mitogen-activated protein kinase kinase kinase kinase 4 | Authors: | Liu, S. | Deposit date: | 2015-08-31 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment. Acs Med.Chem.Lett., 6, 2015
|
|
5DND
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dnd by Molmil](/molmil-images/mine/5dnd) | |
5D5Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d5q by Molmil](/molmil-images/mine/5d5q) | HcgB from Methanocaldococcus jannaschii with the pyridinol derived from FeGP cofactor of [Fe]-hydrogenase | Descriptor: | (4,6-dihydroxy-3,5-dimethylpyridin-2-yl)acetic acid, Uncharacterized protein MJ0488, Guanylyltransferase | Authors: | Fujishiro, T, Ermler, U, Shima, S. | Deposit date: | 2015-08-11 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Towards artificial methanogenesis: biosynthesis of the [Fe]-hydrogenase cofactor and characterization of the semi-synthetic hydrogenase. Faraday Discuss., 198, 2017
|
|
3UIX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uix by Molmil](/molmil-images/mine/3uix) | |
9BKN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bkn by Molmil](/molmil-images/mine/9bkn) | DHODH in complex with Ligand 16 | Descriptor: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-04-29 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML. J.Med.Chem., 2024
|
|
9BKO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bko by Molmil](/molmil-images/mine/9bko) | DHODH in complex with Ligand 26 | Descriptor: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-04-29 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML. J.Med.Chem., 2024
|
|
9BKM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bkm by Molmil](/molmil-images/mine/9bkm) | DHODH in complex with Ligand 10 | Descriptor: | (2M,6P)-2-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-04-29 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML. J.Med.Chem., 2024
|
|
3UMW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3umw by Molmil](/molmil-images/mine/3umw) | Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indazol-3-yl)methylene]-6-methoxy-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one | Descriptor: | (2Z)-2-(1H-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2H)-one, GLYCEROL, Proto-oncogene serine/threonine-protein kinase pim-1, ... | Authors: | Parker, L.J, Handa, N, Yokoyama, S. | Deposit date: | 2011-11-14 | Release date: | 2012-10-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Rational evolution of a novel type of potent and selective proviral integration site in Moloney murine leukemia virus kinase 1 (PIM1) inhibitor from a screening-hit compound. J.Med.Chem., 55, 2012
|
|
2YT2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yt2 by Molmil](/molmil-images/mine/2yt2) | Solution structure of the chimera of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of hALK | Descriptor: | Fibroblast growth factor receptor substrate 3 and ALK tyrosine kinase receptor | Authors: | Li, H, Koshiba, S, Tomizawa, T, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-05 | Release date: | 2008-04-08 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis for the recognition of nucleophosmin-anaplastic lymphoma kinase oncoprotein by the phosphotyrosine binding domain of Suc1-associated neurotrophic factor-induced tyrosine-phosphorylated target-2 J.Struct.Funct.Genom., 11, 2010
|
|