4TZR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tzr by Molmil](/molmil-images/mine/4tzr) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561 | Descriptor: | 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | Authors: | Merritt, E.A. | Deposit date: | 2014-07-10 | Release date: | 2014-08-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis. J. Med. Chem., 59, 2016
|
|
3T3U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t3u by Molmil](/molmil-images/mine/3t3u) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-130 | Descriptor: | 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | Authors: | Larson, E.T, Merritt, E.A. | Deposit date: | 2011-07-25 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
|
|
3SXF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sxf by Molmil](/molmil-images/mine/3sxf) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89 | Descriptor: | 1,2-ETHANEDIOL, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | Authors: | Larson, E.T, Merritt, E.A. | Deposit date: | 2011-07-14 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
|
|
3V51
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v51 by Molmil](/molmil-images/mine/3v51) | |
3V5P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v5p by Molmil](/molmil-images/mine/3v5p) | |
3V5T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v5t by Molmil](/molmil-images/mine/3v5t) | |
3T3V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t3v by Molmil](/molmil-images/mine/3t3v) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-87 | Descriptor: | 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | Authors: | Larson, E.T, Merritt, E.A. | Deposit date: | 2011-07-25 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
|
|
3UQG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uqg by Molmil](/molmil-images/mine/3uqg) | c-SRC kinase domain in complex with bumpless BKI analog UW1243 | Descriptor: | 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Merritt, E.A, Larson, E.T. | Deposit date: | 2011-11-20 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
|
|
3UPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3upz by Molmil](/molmil-images/mine/3upz) | |
3UQF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uqf by Molmil](/molmil-images/mine/3uqf) | c-SRC kinase domain in complex with BKI RM-1-89 | Descriptor: | 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Merritt, E.A, Larson, E.T. | Deposit date: | 2011-11-20 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
|
|
3UPX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3upx by Molmil](/molmil-images/mine/3upx) | |
3SX9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sx9 by Molmil](/molmil-images/mine/3sx9) | |
4JBV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jbv by Molmil](/molmil-images/mine/4jbv) | |
4M84
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m84 by Molmil](/molmil-images/mine/4m84) | |
7DR4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dr4 by Molmil](/molmil-images/mine/7dr4) | Complex of anti-human IL-2 antibody and human IL-2 | Descriptor: | Interleukin-2, anti-human IL-2 antibody, mouse Ig G, ... | Authors: | Kim, M.S, Kim, J.E. | Deposit date: | 2020-12-25 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Crystal structure of human interleukin-2 in complex with TCB2, a new antibody-drug candidate with antitumor activity. Oncoimmunology, 10, 2021
|
|
5YL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yl7 by Molmil](/molmil-images/mine/5yl7) | Proteases from Pseudoalteromonas arctica PAMC 21717 (Pro21717) | Descriptor: | CALCIUM ION, Copurified unknown peptide, Pseudoalteromonas arctica PAMC 21717 | Authors: | Lee, J.H, Lee, C.W. | Deposit date: | 2017-10-17 | Release date: | 2018-01-31 | Last modified: | 2018-09-12 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of a cold-active protease (Pro21717) from the psychrophilic bacterium, Pseudoalteromonas arctica PAMC 21717, at 1.4 angstrom resolution: Structural adaptations to cold and functional analysis of a laundry detergent enzyme PLoS ONE, 13, 2018
|
|
5BVQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bvq by Molmil](/molmil-images/mine/5bvq) | Ligand-unbound pFABP4 | Descriptor: | fatty acid-binding protein | Authors: | Lee, J.H, Lee, C.W, Do, H. | Deposit date: | 2015-06-05 | Release date: | 2015-08-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the ligand-binding specificity of fatty acid-binding proteins (pFABP4 and pFABP5) in gentoo penguin Biochem.Biophys.Res.Commun., 465, 2015
|
|
5BVT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bvt by Molmil](/molmil-images/mine/5bvt) | Palmitate-bound pFABP5 | Descriptor: | Epidermal fatty acid-binding protein, PALMITOLEIC ACID | Authors: | Lee, J.H, Lee, C.W, Do, H. | Deposit date: | 2015-06-05 | Release date: | 2015-08-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural basis for the ligand-binding specificity of fatty acid-binding proteins (pFABP4 and pFABP5) in gentoo penguin Biochem.Biophys.Res.Commun., 465, 2015
|
|
5BVS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bvs by Molmil](/molmil-images/mine/5bvs) | Linoleate-bound pFABP4 | Descriptor: | Fatty acid-binding protein, LINOLEIC ACID | Authors: | Lee, J.H, Lee, C.W, Do, H. | Deposit date: | 2015-06-05 | Release date: | 2015-08-05 | Last modified: | 2015-09-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the ligand-binding specificity of fatty acid-binding proteins (pFABP4 and pFABP5) in gentoo penguin Biochem.Biophys.Res.Commun., 465, 2015
|
|
4ONA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ona by Molmil](/molmil-images/mine/4ona) | |
3NYV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nyv by Molmil](/molmil-images/mine/3nyv) | |
4WG5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wg5 by Molmil](/molmil-images/mine/4wg5) | |
4WG3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wg3 by Molmil](/molmil-images/mine/4wg3) | |
4WG4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wg4 by Molmil](/molmil-images/mine/4wg4) | |
3MWU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mwu by Molmil](/molmil-images/mine/3mwu) | Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor RM-1-95 | Descriptor: | 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2010-05-06 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii. ACS Med Chem Lett, 1, 2010
|
|