2E2D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2e2d by Molmil](/molmil-images/mine/2e2d) | Flexibility and variability of TIMP binding: X-ray structure of the complex between collagenase-3/MMP-13 and TIMP-2 | Descriptor: | CALCIUM ION, Matrix metallopeptidase 13, Metalloproteinase inhibitor 2, ... | Authors: | Maskos, K, Lang, R, Tschesche, H, Bode, W. | Deposit date: | 2006-11-11 | Release date: | 2007-03-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Flexibility and Variability of TIMP Binding: X-ray Structure of the Complex Between Collagenase-3/MMP-13 and TIMP-2 J.Mol.Biol., 366, 2007
|
|
1BKC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bkc by Molmil](/molmil-images/mine/1bkc) | CATALYTIC DOMAIN OF TNF-ALPHA CONVERTING ENZYME (TACE) | Descriptor: | N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TUMOR NECROSIS FACTOR-ALPHA-CONVERTING ENZYME, ZINC ION | Authors: | Maskos, K, Fernandez-Catalan, C, Bode, W. | Deposit date: | 1998-04-23 | Release date: | 1999-06-22 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the catalytic domain of human tumor necrosis factor-alpha-converting enzyme. Proc.Natl.Acad.Sci.USA, 95, 1998
|
|
1Q2L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1q2l by Molmil](/molmil-images/mine/1q2l) | |
1UWY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uwy by Molmil](/molmil-images/mine/1uwy) | Crystal structure of human carboxypeptidase M | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBOXYPEPTIDASE M, ZINC ION | Authors: | Maskos, K, Reverter, D, Bode, W. | Deposit date: | 2004-02-17 | Release date: | 2004-04-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of Human Carboxypeptidase M, a Membrane-Bound Enzyme that Regulates Peptide Hormone Activity J.Mol.Biol., 338, 2004
|
|
3C7X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3c7x by Molmil](/molmil-images/mine/3c7x) | Hemopexin-like domain of matrix metalloproteinase 14 | Descriptor: | CHLORIDE ION, Matrix metalloproteinase-14, SODIUM ION | Authors: | Tochowicz, A, Itoh, Y, Maskos, K, Bode, W, Goettig, P. | Deposit date: | 2008-02-08 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The dimer interface of the membrane type 1 matrix metalloproteinase hemopexin domain: crystal structure and biological functions J.Biol.Chem., 286, 2011
|
|
3LU8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lu8 by Molmil](/molmil-images/mine/3lu8) | Human serum albumin in complex with compound 3 | Descriptor: | N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide, Serum albumin | Authors: | Buttar, D, Colclough, N, Gerhardt, S, MacFaul, P.A, Phillips, S.D, Plowright, A, Whittamore, P, Tam, K, Maskos, K, Steinbacher, S, Steuber, H. | Deposit date: | 2010-02-17 | Release date: | 2010-10-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions Bioorg.Med.Chem., 18, 2010
|
|
4F6S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f6s by Molmil](/molmil-images/mine/4f6s) | Crystal structure of human CDK8/CYCC in complex with compound 7 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea) | Descriptor: | 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, Cyclin-C, ... | Authors: | Schneider, E.V, Boettcher, J, Huber, R, Maskos, K. | Deposit date: | 2012-05-15 | Release date: | 2013-05-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-kinetic relationship study of CDK8/CycC specific compounds. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4OD9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4od9 by Molmil](/molmil-images/mine/4od9) | Structure of Cathepsin D with inhibitor N-(3,4-dimethoxybenzyl)-Nalpha-{N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl}-D-phenylalaninamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B. | Deposit date: | 2014-01-10 | Release date: | 2014-08-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based optimization of non-peptidic Cathepsin D inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
|
|
4OC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4oc6 by Molmil](/molmil-images/mine/4oc6) | Structure of Cathepsin D with inhibitor 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide, Cathepsin D heavy chain, ... | Authors: | Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B. | Deposit date: | 2014-01-08 | Release date: | 2014-08-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structure-based optimization of non-peptidic Cathepsin D inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
|
|
5HVY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hvy by Molmil](/molmil-images/mine/5hvy) | CDK8/CYCC IN COMPLEX WITH COMPOUND 20 | Descriptor: | CHLORIDE ION, Cyclin-C, Cyclin-dependent kinase 8, ... | Authors: | Kiefer, J.R, Schneider, E.V, Maskos, K, Bergeron, P, Koehler, M. | Deposit date: | 2016-01-28 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Design and Development of a Series of Potent and Selective Type II Inhibitors of CDK8. Acs Med.Chem.Lett., 7, 2016
|
|
4OBZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4obz by Molmil](/molmil-images/mine/4obz) | Structure of Cathepsin D with inhibitor 2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide | Descriptor: | 2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B. | Deposit date: | 2014-01-08 | Release date: | 2014-08-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-based optimization of non-peptidic Cathepsin D inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
|
|
3LU7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lu7 by Molmil](/molmil-images/mine/3lu7) | Human serum albumin in complex with compound 2 | Descriptor: | 4-[(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]butanoic acid, PHOSPHATE ION, Serum albumin | Authors: | Buttar, D, Colclough, N, Gerhardt, S, MacFaul, P.A, Phillips, S.D, Plowright, A, Whittamore, P, Tam, K, Maskos, K, Steinbacher, S, Steuber, H. | Deposit date: | 2010-02-17 | Release date: | 2010-10-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions Bioorg.Med.Chem., 18, 2010
|
|
3LU6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lu6 by Molmil](/molmil-images/mine/3lu6) | Human serum albumin in complex with compound 1 | Descriptor: | Serum albumin, [(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]acetic acid | Authors: | Buttar, D, Colclough, N, Gerhardt, S, MacFaul, P.A, Phillips, S.D, Plowright, A, Whittamore, P, Tam, K, Maskos, K, Steinbacher, S, Steuber, H. | Deposit date: | 2010-02-17 | Release date: | 2010-10-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions Bioorg.Med.Chem., 18, 2010
|
|
3CKI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cki by Molmil](/molmil-images/mine/3cki) | Crystal structure of the TACE-N-TIMP-3 complex | Descriptor: | ADAM 17, Metalloproteinase inhibitor 3, SODIUM ION, ... | Authors: | Wisniewska, M, Goettig, P, Maskos, K, Belouski, E, Winters, D, Hecht, R, Black, R, Bode, W. | Deposit date: | 2008-03-15 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural determinants of the ADAM inhibition by TIMP-3: crystal structure of the TACE-N-TIMP-3 complex. J.Mol.Biol., 381, 2008
|
|
4G6L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g6l by Molmil](/molmil-images/mine/4g6l) | Crystal structure of human CDK8/CYCC in the DMG-in conformation | Descriptor: | Cyclin-C, Cyclin-dependent kinase 8, FORMIC ACID | Authors: | Schneider, E.V, Blaesse, M, Huber, R, Maskos, K. | Deposit date: | 2012-07-19 | Release date: | 2013-05-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-kinetic relationship study of CDK8/CycC specific compounds. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
6FXN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fxn by Molmil](/molmil-images/mine/6fxn) | Crystal structure of human BAFF in complex with Fab fragment of anti-BAFF antibody belimumab | Descriptor: | Tumor necrosis factor ligand superfamily member 13B, belimumab heavy chain, belimumab light chain | Authors: | Lammens, A, Maskos, K, Willen, L, Jiang, X, Schneider, P. | Deposit date: | 2018-03-09 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A loop region of BAFF controls B cell survival and regulates recognition by different inhibitors. Nat Commun, 9, 2018
|
|
6B8A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b8a by Molmil](/molmil-images/mine/6b8a) | Crystal structure of MvfR ligand binding domain in complex with M64 | Descriptor: | 2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide, COBALT HEXAMMINE(III), DNA-binding transcriptional regulator | Authors: | Kitao, T, Steinbacher, S, Maskos, K, Blaesse, M, Rahme, L.G. | Deposit date: | 2017-10-05 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Molecular Insights into Function and Competitive Inhibition ofPseudomonas aeruginosaMultiple Virulence Factor Regulator. MBio, 9, 2018
|
|
5CEI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cei by Molmil](/molmil-images/mine/5cei) | Crystal structure of CDK8:Cyclin C complex with compound 22 | Descriptor: | 1,2-ETHANEDIOL, 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide, Cyclin-C, ... | Authors: | Kiefer, J.R, Schneider, E.V, Maskos, K, Koehler, M.F.T. | Deposit date: | 2015-07-06 | Release date: | 2016-02-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Development of a Potent, Specific CDK8 Kinase Inhibitor Which Phenocopies CDK8/19 Knockout Cells. Acs Med.Chem.Lett., 7, 2016
|
|
3V3K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v3k by Molmil](/molmil-images/mine/3v3k) | |
2QZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qzx by Molmil](/molmil-images/mine/2qzx) | Secreted aspartic proteinase (Sap) 5 from Candida albicans | Descriptor: | Candidapepsin-5, Pepstatin | Authors: | Lee, J.H, Ruge, E, Borelli, C, Maskos, K, Huber, R. | Deposit date: | 2007-08-17 | Release date: | 2008-07-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray structures of Sap1 and Sap5: Structural comparison of the secreted aspartic proteinases from Candida albicans. Proteins, 72, 2008
|
|
3HGQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hgq by Molmil](/molmil-images/mine/3hgq) | |
3HGT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hgt by Molmil](/molmil-images/mine/3hgt) | |
1Y79
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1y79 by Molmil](/molmil-images/mine/1y79) | Crystal Structure of the E.coli Dipeptidyl Carboxypeptidase Dcp in Complex with a Peptidic Inhibitor | Descriptor: | ASPARTIC ACID, GLYCINE, LYSINE, ... | Authors: | Comellas-Bigler, M, Lang, R, Bode, W, Maskos, K. | Deposit date: | 2004-12-08 | Release date: | 2005-05-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the E.coli Dipeptidyl Carboxypeptidase Dcp: Further Indication of a Ligand-dependant Hinge Movement Mechanism J.Mol.Biol., 349, 2005
|
|
4ZCH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zch by Molmil](/molmil-images/mine/4zch) | Single-chain human APRIL-BAFF-BAFF Heterotrimer | Descriptor: | TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, Tumor necrosis factor ligand superfamily member 13,Tumor necrosis factor ligand superfamily member 13B,Tumor necrosis factor ligand superfamily member 13B | Authors: | Lammens, A, Jiang, X, Maskos, K, Schneider, P. | Deposit date: | 2015-04-16 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Stoichiometry of Heteromeric BAFF and APRIL Cytokines Dictates Their Receptor Binding and Signaling Properties. J.Biol.Chem., 290, 2015
|
|
1JAE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jae by Molmil](/molmil-images/mine/1jae) | STRUCTURE OF TENEBRIO MOLITOR LARVAL ALPHA-AMYLASE | Descriptor: | ALPHA-AMYLASE, CALCIUM ION, CHLORIDE ION | Authors: | Strobl, S, Maskos, K, Betz, M, Wiegand, G, Huber, R, Gomis-Rueth, F.X, Frank, G, Glockshuber, R. | Deposit date: | 1997-09-30 | Release date: | 1998-11-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of yellow meal worm alpha-amylase at 1.64 A resolution. J.Mol.Biol., 278, 1998
|
|