1JSS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jss by Molmil](/molmil-images/mine/1jss) | Crystal structure of the Mus musculus cholesterol-regulated START protein 4 (StarD4). | Descriptor: | cholesterol-regulated START protein 4 | Authors: | Romanowski, M.J, Soccio, R.E, Breslow, J.L, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2001-08-17 | Release date: | 2002-04-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the Mus musculus cholesterol-regulated START protein 4 (StarD4) containing a StAR-related lipid transfer domain. Proc.Natl.Acad.Sci.USA, 99, 2002
|
|
1JSX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jsx by Molmil](/molmil-images/mine/1jsx) | |
1KAG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kag by Molmil](/molmil-images/mine/1kag) | |
1K47
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1k47 by Molmil](/molmil-images/mine/1k47) | |
1JYH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jyh by Molmil](/molmil-images/mine/1jyh) | |
1SC4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sc4 by Molmil](/molmil-images/mine/1sc4) | |
1SC3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sc3 by Molmil](/molmil-images/mine/1sc3) | Crystal structure of the human caspase-1 C285A mutant in complex with malonate | Descriptor: | Interleukin-1 beta convertase, MALONATE ION | Authors: | Romanowski, M.J, Scheer, J.M, O'Brien, T, McDowell, R.S. | Deposit date: | 2004-02-11 | Release date: | 2004-08-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of a ligand-free and malonate-bound human caspase-1: implications for the mechanism of substrate binding. Structure, 12, 2004
|
|
1SC1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sc1 by Molmil](/molmil-images/mine/1sc1) | Crystal structure of an active-site ligand-free form of the human caspase-1 C285A mutant | Descriptor: | CHLORIDE ION, Interleukin-1 beta convertase | Authors: | Romanowski, M.J, Scheer, J.M, O'Brien, T, McDowell, R.S. | Deposit date: | 2004-02-11 | Release date: | 2004-08-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of a ligand-free and malonate-bound human caspase-1: implications for the mechanism of substrate binding. Structure, 12, 2004
|
|
8U37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u37 by Molmil](/molmil-images/mine/8u37) | Crystal structure of the catalytic domain of human PKC alpha (D463N, V568I, S657E) in complex with NVP-CJL037 at 2.48-A resolution | Descriptor: | (6M)-3-amino-N-{4-[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]pyridin-3-yl}-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide, MAGNESIUM ION, Protein kinase C alpha type | Authors: | Romanowski, M.J, Lam, J, Visser, M. | Deposit date: | 2023-09-07 | Release date: | 2024-01-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery of Darovasertib (NVP-LXS196), a Pan-PKC Inhibitor for the Treatment of Metastatic Uveal Melanoma. J.Med.Chem., 67, 2024
|
|
8UAK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uak by Molmil](/molmil-images/mine/8uak) | Crystal structure of the catalytic domain of human PKC alpha (D463N, V568I, S657E) in complex with Darovasertib (NVP-LXS196) at 2.82-A resolution | Descriptor: | (6M)-3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide, Protein kinase C alpha type | Authors: | Romanowski, M.J, Lam, J, Visser, M. | Deposit date: | 2023-09-21 | Release date: | 2024-01-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Discovery of Darovasertib (NVP-LXS196), a Pan-PKC Inhibitor for the Treatment of Metastatic Uveal Melanoma. J.Med.Chem., 67, 2024
|
|
1RWO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rwo by Molmil](/molmil-images/mine/1rwo) | Crystal structure of human caspase-1 in complex with 4-oxo-3-{6-[4-(quinoxalin-2-ylamino)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-pentanoic acid | Descriptor: | 4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-PENTANOIC ACID, Interleukin-1 beta convertase | Authors: | Romanowski, M.J, Waal, N.D, Fahr, B.T, O'Brien, T. | Deposit date: | 2003-12-16 | Release date: | 2004-12-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural analysis of caspase-1 inhibitors derived from Tethering. Acta Crystallogr.,Sect.F, 61, 2005
|
|
1RWN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rwn by Molmil](/molmil-images/mine/1rwn) | |
1RWV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rwv by Molmil](/molmil-images/mine/1rwv) | |
1RWM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rwm by Molmil](/molmil-images/mine/1rwm) | Crystal structure of human caspase-1 in complex with 4-oxo-3-[2-(5-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-thiophen-2-yl)-acetylamino]-pentanoic acid | Descriptor: | 4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID, Interleukin-1 beta convertase | Authors: | Romanowski, M.J, Waal, N.D, Fahr, B.T, O'Brien, T. | Deposit date: | 2003-12-16 | Release date: | 2004-12-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural analysis of caspase-1 inhibitors derived from Tethering. Acta Crystallogr.,Sect.F, 61, 2005
|
|
1RWW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rww by Molmil](/molmil-images/mine/1rww) | |
1RWP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rwp by Molmil](/molmil-images/mine/1rwp) | |
1RWX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rwx by Molmil](/molmil-images/mine/1rwx) | |
1RWK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rwk by Molmil](/molmil-images/mine/1rwk) | Crystal structure of human caspase-1 in complex with 3-(2-mercapto-acetylamino)-4-oxo-pentanoic acid | Descriptor: | 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Interleukin-1 beta convertase | Authors: | Romanowski, M.J, Lam, J.W, Fahr, B.T, O'Brien, T. | Deposit date: | 2003-12-16 | Release date: | 2004-12-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analysis of caspase-1 inhibitors derived from Tethering. Acta Crystallogr.,Sect.F, 61, 2005
|
|
3DBE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dbe by Molmil](/molmil-images/mine/3dbe) | |
3DBD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dbd by Molmil](/molmil-images/mine/3dbd) | |
3DBC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dbc by Molmil](/molmil-images/mine/3dbc) | Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 257 | Descriptor: | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide, Polo-like kinase 1 | Authors: | Elling, R.A, Zhu, J, Barr, K.J, Romanowski, M.J. | Deposit date: | 2008-05-31 | Release date: | 2008-10-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
|
|
3D2I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d2i by Molmil](/molmil-images/mine/3d2i) | Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylamino)-ethyl]-thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea | Descriptor: | 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6 | Authors: | Oslob, J.D, Yu, C, Romanowski, M.J. | Deposit date: | 2008-05-08 | Release date: | 2009-05-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of Aurora-A-selective inhibitors To be Published
|
|
3D6M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d6m by Molmil](/molmil-images/mine/3d6m) | |
3D6F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d6f by Molmil](/molmil-images/mine/3d6f) | |
3D5W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d5w by Molmil](/molmil-images/mine/3d5w) | |