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: | 2024-11-06 | | 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
|
|
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
|
|
1Q2L
 | |
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: | 2024-11-06 | | 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
|
|
1PO9
 | | Crytsal structure of isoaspartyl dipeptidase | | Descriptor: | Isoaspartyl dipeptidase, ZINC ION | | Authors: | Jozic, D, Kaiser, J.T, Huber, R, Bode, W, Maskos, K. | | Deposit date: | 2003-06-15 | | Release date: | 2004-06-22 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray structure of isoaspartyl dipeptidase from E.coli: a dinuclear zinc peptidase evolved from amidohydrolases.
J.Mol.Biol., 332, 2003
|
|
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
|
|
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
|
|
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: | 2024-11-20 | | 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
|
|
3V3K
 | |
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
|
|
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: | 2024-10-23 | | 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
|
|
8RQN
 | | Human thyroid hormone receptor beta ligand binding domain in complex with beta-selective agonist ALG-055009 | | Descriptor: | 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione, Thyroid hormone receptor beta | | Authors: | Lammens, A, Maskos, K, Stoycheva, A.D, McGowan, D.C. | | Deposit date: | 2024-01-18 | | Release date: | 2024-09-11 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-beta ) Agonist for the Treatment of MASH.
J.Med.Chem., 67, 2024
|
|
8RQO
 | | Human thyroid hormone receptor alpha ligand binding domain in complex with beta-selective agonist ALG-055009 | | Descriptor: | 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione, Isoform Alpha-1 of Thyroid hormone receptor alpha, SULFATE ION | | Authors: | Lammens, A, Maskos, K, Stoycheva, A.D, McGowan, D.C. | | Deposit date: | 2024-01-18 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-beta ) Agonist for the Treatment of MASH.
J.Med.Chem., 67, 2024
|
|
9MZX
 | | Crystal structure of human RIPK1 with Compound 1 | | Descriptor: | 1-[(2S,5S)-2,3-dihydro-2,5-methano-1,4-benzoxazepin-4(5H)-yl]-2,2-dimethylpropan-1-one, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Lesburg, C.A, Palte, R.L, Maskos, K, Thomsen, M, Lammens, A. | | Deposit date: | 2025-01-23 | | Release date: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | The Discovery of Bridged Benzoazepine Amides as Selective Allosteric Modulators of RIPK1.
Acs Med.Chem.Lett., 16, 2025
|
|
9MZY
 | | Crystal structure of human RIPK1 with Compound 22 | | Descriptor: | 1-[(2S,5S)-2,3-dihydro-2,5-methano-1,4-benzoxazepin-4(5H)-yl]-3,3-difluoro-2,2-dimethylpropan-1-one, CHLORIDE ION, GLYCINE, ... | | Authors: | Palte, R.L, Lesburg, C.A, Maskos, K, Thomsen, M, Lammens, A. | | Deposit date: | 2025-01-23 | | Release date: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | The Discovery of Bridged Benzoazepine Amides as Selective Allosteric Modulators of RIPK1.
Acs Med.Chem.Lett., 16, 2025
|
|
9MZZ
 | | Crystal structure of RIPK1 with compound 36 | | Descriptor: | (2S,5S)-4-(3,3-difluoro-2,2-dimethylpropanoyl)-2,3,4,5-tetrahydro-2,5-methanopyrido[3,4-f][1,4]oxazepine-9-carbonitrile, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Lesburg, C.A, Palte, R.L, Maskos, K, Thomsen, M, Lammens, A. | | Deposit date: | 2025-01-23 | | Release date: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | The Discovery of Bridged Benzoazepine Amides as Selective Allosteric Modulators of RIPK1.
Acs Med.Chem.Lett., 16, 2025
|
|
4DYT
 | | Crystal Structure of WSN/A Influenza Nucleoprotein with Three Mutations (E53D, Y289H, Y313V) | | Descriptor: | 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: | 2012-02-29 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | To be determined
To be Published
|
|
4DYB
 | | Crystal Structure of WSN/A Influenza Nucleoprotein with BMS-883559 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]thiophene-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 (2.8 Å) | | Cite: | To be determined
To be Published
|
|
4DYN
 | | Crystal Structure of WSN/A Influenza Nucleoprotein with BMS-885838 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]pyridine-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: | 2012-02-29 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | To be determined
To be Published
|
|
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
|
|
3HGT
 | |
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: | 2024-11-20 | | 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
|
|
3HGQ
 | |
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
|
|
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
|
|
