1P2A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1p2a by Molmil](/molmil-images/mine/1p2a) | The structure of cyclin dependent kinase 2 (CKD2) with a trisubstituted naphthostyril inhibitor | Descriptor: | 5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE, Cell division protein kinase 2 | Authors: | Liu, J.-J, Dermatakis, A, Lukacs, C.M, Konzelmann, F, Chen, Y, Kammlott, U, Depinto, W, Yang, H, Yin, X, Chen, Y, Schutt, A, Simcox, M.E, Luk, K.-C. | Deposit date: | 2003-04-15 | Release date: | 2003-07-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 3,5,6-Trisubstituted Naphthostyrils as CDK2 Inhibitors BIOORG.MED.CHEM., 13, 2003
|
|
4J74
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4j74 by Molmil](/molmil-images/mine/4j74) | The 1.2A crystal structure of humanized Xenopus MDM2 with RO0503918 - a nutlin fragment | Descriptor: | (4S,5R)-4,5-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-imidazole, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Janson, C, Lukacs, C, Kammlott, U, Graves, B. | Deposit date: | 2013-02-12 | Release date: | 2013-08-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Deconstruction of a nutlin: dissecting the binding determinants of a potent protein-protein interaction inhibitor. ACS Med Chem Lett, 4, 2013
|
|
1RV1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rv1 by Molmil](/molmil-images/mine/1rv1) | CRYSTAL STRUCTURE OF HUMAN MDM2 WITH AN IMIDAZOLINE INHIBITOR | Descriptor: | CIS-[4,5-BIS-(4-BROMOPHENYL)-2-(2-ETHOXY-4-METHOXYPHENYL)-4,5-DIHYDROIMIDAZOL-1-YL]-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]METHANONE, Ubiquitin-protein ligase E3 Mdm2 | Authors: | Lukacs, C, Kammlott, U, Graves, B. | Deposit date: | 2003-12-12 | Release date: | 2004-01-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | In vivo activation of the p53 pathway by small-molecule antagonists of MDM2. Science, 303, 2004
|
|
1R78
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1r78 by Molmil](/molmil-images/mine/1r78) | CDK2 complex with a 4-alkynyl oxindole inhibitor | Descriptor: | 4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE, Cell division protein kinase 2 | Authors: | Luk, K.-C, Simcox, M.E, Schutt, A, Rowan, K, Thompson, T, Chen, Y, Kammlott, U, DePinto, W, Dunten, P, Dermatakis, A. | Deposit date: | 2003-10-20 | Release date: | 2004-01-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new series of potent oxindole inhibitors of CDK2 Bioorg.Med.Chem.Lett., 14, 2004
|
|
1D6E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1d6e by Molmil](/molmil-images/mine/1d6e) | CRYSTAL STRUCTURE OF HLA-DR4 COMPLEX WITH PEPTIDOMIMETIC AND SEB | Descriptor: | ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, PEPTIDOMIMETIC INHIBITOR | Authors: | Swain, A, Crowther, R, Kammlott, U. | Deposit date: | 1999-10-13 | Release date: | 2000-06-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures. J.Med.Chem., 43, 2000
|
|
1FPP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fpp by Molmil](/molmil-images/mine/1fpp) | PROTEIN FARNESYLTRANSFERASE COMPLEX WITH FARNESYL DIPHOSPHATE | Descriptor: | FARNESYL DIPHOSPHATE, PHOSPHATE ION, PROTEIN FARNESYLTRANSFERASE, ... | Authors: | Dunten, P, Kammlott, U, Crowther, R, Weber, D, Palermo, R, Birktoft, J. | Deposit date: | 1998-07-10 | Release date: | 1999-06-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Protein farnesyltransferase: structure and implications for substrate binding. Biochemistry, 37, 1998
|
|
1G4K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1g4k by Molmil](/molmil-images/mine/1g4k) | X-ray Structure of a Novel Matrix Metalloproteinase Inhibitor Complexed to Stromelysin | Descriptor: | 5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-2,4,6-TRIONE, CALCIUM ION, GLYCEROL, ... | Authors: | Dunten, P, Kammlott, U, Crowther, R, Levin, W, Foley, L.H, Wang, P, Palermo, R. | Deposit date: | 2000-10-27 | Release date: | 2001-04-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure of a novel matrix metalloproteinase inhibitor complexed to stromelysin. Protein Sci., 10, 2001
|
|
1D5M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1d5m by Molmil](/molmil-images/mine/1d5m) | X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDE AND SEB | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Swain, A.L, Crowther, R, Kammlott, U. | Deposit date: | 1999-10-07 | Release date: | 2000-06-28 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures. J.Med.Chem., 43, 2000
|
|
1D5X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1d5x by Molmil](/molmil-images/mine/1d5x) | X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH DIPEPTIDE MIMETIC AND SEB | Descriptor: | DIPEPTIDE MIMETIC INHIBITOR, ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN | Authors: | Swain, A, Crowther, R, Kammlott, U. | Deposit date: | 1999-10-12 | Release date: | 2000-06-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures. J.Med.Chem., 43, 2000
|
|
1D5Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1d5z by Molmil](/molmil-images/mine/1d5z) | X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDOMIMETIC AND SEB | Descriptor: | PROTEIN (ENTEROTOXIN TYPE B), PROTEIN (HLA CLASS II HISTOCOMPATIBILITY ANTIGEN), PROTEIN (PEPTIDOMIMETIC INHIBITOR) | Authors: | Swain, A, Crowther, R, Kammlott, U. | Deposit date: | 1999-10-12 | Release date: | 2000-06-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures. J.Med.Chem., 43, 2000
|
|
1KHE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1khe by Molmil](/molmil-images/mine/1khe) | PEPCK complex with nonhydrolyzable GTP analog, MAD data | Descriptor: | MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Phosphoenolpyruvate Carboxykinase, ... | Authors: | Dunten, P, Belunis, C, Crowther, R, Hollfelder, K, Kammlott, U, Levin, W, Michel, H, Ramsey, G.B, Swain, A, Weber, D, Wertheimer, S.J. | Deposit date: | 2001-11-29 | Release date: | 2002-02-27 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of human cytosolic phosphoenolpyruvate carboxykinase reveals a new GTP-binding site. J.Mol.Biol., 316, 2002
|
|
1KHB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1khb by Molmil](/molmil-images/mine/1khb) | PEPCK complex with nonhydrolyzable GTP analog, native data | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, MANGANESE (II) ION, ... | Authors: | Dunten, P, Belunis, C, Crowther, R, Hollfelder, K, Kammlott, U, Levin, W, Michel, H, Ramsey, G.B, Swain, A, Weber, D, Wertheimer, S.J. | Deposit date: | 2001-11-29 | Release date: | 2002-02-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.854 Å) | Cite: | Crystal structure of human cytosolic phosphoenolpyruvate carboxykinase reveals a new GTP-binding site. J.Mol.Biol., 316, 2002
|
|
1KHG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1khg by Molmil](/molmil-images/mine/1khg) | PEPCK | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ... | Authors: | Dunten, P, Belunis, C, Crowther, R, Hollfelder, K, Kammlott, U, Levin, W, Michel, H, Ramsey, G.B, Swain, A, Weber, D, Wertheimer, S.J. | Deposit date: | 2001-11-29 | Release date: | 2002-02-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystal structure of human cytosolic phosphoenolpyruvate carboxykinase reveals a new GTP-binding site. J.Mol.Biol., 316, 2002
|
|
1KHF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1khf by Molmil](/molmil-images/mine/1khf) | PEPCK complex with PEP | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, PHOSPHOENOLPYRUVATE, ... | Authors: | Dunten, P, Belunis, C, Crowther, R, Hollfelder, K, Kammlott, U, Levin, W, Michel, H, Ramsey, G.B, Swain, A, Weber, D, Wertheimer, S.J. | Deposit date: | 2001-11-29 | Release date: | 2002-02-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Crystal structure of human cytosolic phosphoenolpyruvate carboxykinase reveals a new GTP-binding site. J.Mol.Biol., 316, 2002
|
|
4LWT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lwt by Molmil](/molmil-images/mine/4lwt) | The 1.6A Crystal Structure of Humanized Xenopus MDM2 with RO5027344 | Descriptor: | (3S)-3-[(3R)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Graves, B.J, Lukacs, C, Kammlott, U. | Deposit date: | 2013-07-28 | Release date: | 2014-07-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy. Bioorg.Med.Chem., 22, 2014
|
|