4F7N
 
 | | Crystal structure of human CDK8/CYCC in complex with compound 11 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea) | | Descriptor: | 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea, Cyclin-C, ... | | Authors: | Schneider, E.V, Boettcher, J, Huber, R, Maskos, K. | | Deposit date: | 2012-05-16 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure-kinetic relationship study of CDK8/CycC specific compounds.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4F70
 | | Crystal structure of human CDK8/CYCC in complex with compound 4 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea) | | Descriptor: | 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]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 (3 Å) | | Cite: | Structure-kinetic relationship study of CDK8/CycC specific compounds.
Proc.Natl.Acad.Sci.USA, 110, 2013
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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
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3HGT
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3HGQ
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3V3K
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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
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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
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2H6T
 | | Secreted aspartic proteinase (Sap) 3 from Candida albicans complexed with pepstatin A | | Descriptor: | Candidapepsin-3, ZINC ION, pepstatin A | | Authors: | Ruge, E, Borelli, C, Maskos, K, Huber, R. | | Deposit date: | 2006-06-01 | | Release date: | 2007-06-12 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of the secreted aspartic proteinase 3 from Candida albicans and its complex with pepstatin A.
Proteins, 68, 2007
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2H6S
 | | Secreted aspartic proteinase (Sap) 3 from Candida albicans | | Descriptor: | Candidapepsin-3, ZINC ION | | Authors: | Ruge, E, Borelli, C, Maskos, K, Huber, R. | | Deposit date: | 2006-06-01 | | Release date: | 2007-06-12 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of the secreted aspartic proteinase 3 from Candida albicans and its complex with pepstatin A.
Proteins, 68, 2007
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3RO5
 | | Crystal structure of influenza A virus nucleoprotein with ligand | | Descriptor: | Nucleocapsid protein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone | | Authors: | Pearce, B.C, Edavettal, S, McDonnell, P.A, Lewis, H.A, Steinbacher, S, Baldwin, E.T, Langley, D.R, Maskos, K, Mortl, M, Kiefersauer, R. | | Deposit date: | 2011-04-25 | | Release date: | 2011-09-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Inhibition of influenza virus replication via small molecules that induce the formation of higher-order nucleoprotein oligomers.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3RGF
 | | Crystal Structure of human CDK8/CycC | | Descriptor: | 1,2-ETHANEDIOL, 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Cyclin-C, ... | | Authors: | Schneider, E.V, Boettcher, J, Blaesse, M, Huber, R, Maskos, K. | | Deposit date: | 2011-04-08 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Structure of CDK8/CycC Implicates Specificity in the CDK/Cyclin Family and Reveals Interaction with a Deep Pocket Binder.
J.Mol.Biol., 412, 2011
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3TG6
 | | Crystal Structure of Influenza A Virus nucleoprotein with Ligand | | Descriptor: | Nucleocapsid protein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-chloropyridin-3-yl)-5-methyl-1,2-oxazol-4-yl]methanone | | Authors: | Pearce, B.C, Lewis, H.A, McDonnell, P.A, Steinbacher, S, Kiefersauer, R, Mortl, M, Maskos, K, Edavettal, S, Baldwin, E.T, Langley, D.R. | | Deposit date: | 2011-08-17 | | Release date: | 2012-08-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Biophysical and Structural Characterization of a Novel Class of Influenza Virus Inhibitors
To be Published
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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
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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
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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
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2C1C
 | | Structural basis of the resistance of an insect carboxypeptidase to plant protease inhibitors | | Descriptor: | CARBOXYPEPTIDASE B, YTTRIUM ION, ZINC ION | | Authors: | Bayes, A, Comellas-Bigler, M, Rodriguez de la Vega, M, Maskos, K, Bode, W, Aviles, F.X, Jongsma, M.A, Beekwilder, J, Vendrell, J. | | Deposit date: | 2005-09-12 | | Release date: | 2005-10-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of the Resistance of an Insect Carboxypeptidase to Plant Protease Inhibitors.
Proc.Natl.Acad.Sci.USA, 102, 2005
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1UEA
 | | MMP-3/TIMP-1 COMPLEX | | Descriptor: | CALCIUM ION, MATRIX METALLOPROTEINASE-3, TISSUE INHIBITOR OF METALLOPROTEINASE-1, ... | | Authors: | Bode, W, Maskos, K, Gomis-Rueth, F.-X, Nagase, H. | | Deposit date: | 1997-06-06 | | Release date: | 1998-10-14 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Mechanism of inhibition of the human matrix metalloproteinase stromelysin-1 by TIMP-1.
Nature, 389, 1997
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1LFW
 | | Crystal structure of pepV | | Descriptor: | 3-[(1-AMINO-2-CARBOXY-ETHYL)-HYDROXY-PHOSPHINOYL]-2-METHYL-PROPIONIC ACID, ZINC ION, pepV | | Authors: | Jozic, D, Bourenkow, G, Bartunik, H, Scholze, H, Dive, V, Henrich, B, Huber, R, Bode, W, Maskos, K. | | Deposit date: | 2002-04-12 | | Release date: | 2002-10-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the Dinuclear Zinc Aminopeptidase PepV from Lactobacillus delbrueckii Unravels Its Preference for Dipeptides
Structure, 10, 2002
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1JK3
 | | Crystal structure of human MMP-12 (Macrophage Elastase) at true atomic resolution | | Descriptor: | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, CALCIUM ION, MACROPHAGE METALLOELASTASE, ... | | Authors: | Lang, R, Kocourek, A, Braun, M, Tschesche, H, Huber, R, Bode, W, Maskos, K. | | Deposit date: | 2001-07-11 | | Release date: | 2001-09-28 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Substrate specificity determinants of human macrophage elastase (MMP-12) based on the 1.1 A crystal structure.
J.Mol.Biol., 312, 2001
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1T1I
 | | High Resolution Crystal Structure of Mutant W129A of Kumamolisin, a Sedolisin Type Proteinase (previously called Kumamolysin or KSCP) | | Descriptor: | CALCIUM ION, SULFATE ION, kumamolisin | | Authors: | Comellas-Bigler, M, Maskos, K, Huber, R, Oyama, H, Oda, K, Bode, W. | | Deposit date: | 2004-04-16 | | Release date: | 2004-08-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | 1.2 a crystal structure of the serine carboxyl proteinase pro-kumamolisin: structure of an intact pro-subtilase
Structure, 12, 2004
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1T1G
 | | High Resolution Crystal Structure of Mutant E23A of Kumamolisin, a sedolisin type proteinase (previously called Kumamolysin or KSCP) | | Descriptor: | CALCIUM ION, SULFATE ION, kumamolisin | | Authors: | Comellas-Bigler, M, Maskos, K, Huber, R, Oyama, H, Oda, K, Bode, W. | | Deposit date: | 2004-04-16 | | Release date: | 2004-08-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | 1.2 a crystal structure of the serine carboxyl proteinase pro-kumamolisin: structure of an intact pro-subtilase
Structure, 12, 2004
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1T1E
 | | High Resolution Crystal Structure of the Intact Pro-Kumamolisin, a Sedolisin Type Proteinase (previously called Kumamolysin or KSCP) | | Descriptor: | CALCIUM ION, kumamolisin | | Authors: | Comellas-Bigler, M, Maskos, K, Huber, R, Oyama, H, Oda, K, Bode, W. | | Deposit date: | 2004-04-16 | | Release date: | 2004-08-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | 1.2 a crystal structure of the serine carboxyl proteinase pro-kumamolisin: structure of an intact pro-subtilase
Structure, 12, 2004
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4DYA
 | | Crystal Structure of WSN/A Influenza Nucleoprotein with BMS-885986 Ligand Bound | | Descriptor: | N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]furan-2-carboxamide, Nucleocapsid protein | | Authors: | Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R. | | Deposit date: | 2012-02-28 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | To be determined
To be Published
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4DYP
 | | Crystal Structure of WSN/A Influenza Nucleoprotein with BMS-831780 Ligand Bound | | Descriptor: | Nucleocapsid protein, [4-(5-bromanyl-3-methyl-pyridin-2-yl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone | | Authors: | Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R. | | Deposit date: | 2012-02-29 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | To be determined
To be Published
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