1GTG
| Crystal structure of the thermostable serine-carboxyl type proteinase, kumamolysin (kscp) | Descriptor: | CALCIUM ION, KUMAMOLYSIN | Authors: | Comellas-Bigler, M, Fuentes-Prior, P, Maskos, K, Huber, R, Oyama, H, Uchida, K, Dunn, B.M, Oda, K, Bode, W. | Deposit date: | 2002-01-15 | Release date: | 2002-06-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The 1.4 A Crystal Structure of Kumamolysin. A Thermostable Serine-Carboxyl-Type Proteinase Structure, 10, 2002
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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
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1BUV
| CRYSTAL STRUCTURE OF THE MT1-MMP-TIMP-2 COMPLEX | Descriptor: | CALCIUM ION, PROTEIN (MEMBRANE-TYPE MATRIX METALLOPROTEINASE (CDMT1-MMP)), PROTEIN (METALLOPROTEINASE INHIBITOR (TIMP-2)), ... | Authors: | Fernandez-Catalan, C, Bode, W, Huber, R, Turk, D, Calvete, J.J, Lichte, A, Tschesche, H, Maskos, K. | Deposit date: | 1998-09-07 | Release date: | 1999-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of the complex formed by the membrane type 1-matrix metalloproteinase with the tissue inhibitor of metalloproteinases-2, the soluble progelatinase A receptor. EMBO J., 17, 1998
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1BQQ
| CRYSTAL STRUCTURE OF THE MT1-MMP--TIMP-2 COMPLEX | Descriptor: | CALCIUM ION, MEMBRANE-TYPE MATRIX METALLOPROTEINASE, METALLOPROTEINASE INHIBITOR 2, ... | Authors: | Fernandez-Catalan, C, Bode, W, Huber, R, Turk, D, Calvete, J.J, Lichte, A, Tschesche, H, Maskos, K. | Deposit date: | 1998-08-18 | Release date: | 1999-08-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of the complex formed by the membrane type 1-matrix metalloproteinase with the tissue inhibitor of metalloproteinases-2, the soluble progelatinase A receptor. EMBO J., 17, 1998
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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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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
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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
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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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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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7M2G
| INTERLEUKIN-2 (human) mutant P65K, C125S | Descriptor: | GLYCEROL, Interleukin-2, SULFATE ION | Authors: | Ptacin, J.L, Milla, M.E, Steinbacher, S, Maskos, K, Thomsen, M. | Deposit date: | 2021-03-16 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | An engineered IL-2 reprogrammed for anti-tumor therapy using a semi-synthetic organism. Nat Commun, 12, 2021
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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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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
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3HGT
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3HGQ
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2OVX
| MMP-9 active site mutant with barbiturate inhibitor | Descriptor: | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Tochowicz, A, Bode, W, Maskos, K, Goettig, P. | Deposit date: | 2007-02-15 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity. J.Mol.Biol., 371, 2007
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2OW0
| MMP-9 active site mutant with iodine-labeled carboxylate inhibitor | Descriptor: | CALCIUM ION, CHLORIDE ION, Matrix metalloproteinase-9 (MMP-9) (92 kDa type IV collagenase) (92 kDa gelatinase) (Gelatinase B) (GELB), ... | Authors: | Tochowicz, A, Bode, W, Maskos, K, Goettig, P. | Deposit date: | 2007-02-15 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity. J.Mol.Biol., 371, 2007
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2OW2
| MMP-9 active site mutant with difluoro butanoic acid inhibitor | Descriptor: | (3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Tochowicz, A, Bode, W, Maskos, K, Goettig, P. | Deposit date: | 2007-02-15 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity. J.Mol.Biol., 371, 2007
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2OW1
| MMP-9 active site mutant with trifluoromethyl hydroxamate inhibitor | Descriptor: | (2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Tochowicz, A, Bode, W, Maskos, K, Goettig, P. | Deposit date: | 2007-02-15 | Release date: | 2007-06-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity. J.Mol.Biol., 371, 2007
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2OVZ
| MMP-9 active site mutant with phosphinate inhibitor | Descriptor: | CALCIUM ION, CHLORIDE ION, Matrix metalloproteinase-9 (EC 3.4.24.35) (MMP-9) (92 kDa type IV collagenase) (92 kDa gelatinase) (Gelatinase B) (GELB), ... | Authors: | Tochowicz, A, Bode, W, Maskos, K, Goettig, P. | Deposit date: | 2007-02-15 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity. J.Mol.Biol., 371, 2007
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6S41
| CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455 | Descriptor: | 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Focken, T, Maskos, K, Griessner, A, Krapp, S. | Deposit date: | 2019-06-26 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaV1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy. J.Med.Chem., 62, 2019
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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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2NSM
| Crystal structure of the human carboxypeptidase N (Kininase I) catalytic domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carboxypeptidase N catalytic chain, SULFATE ION | Authors: | Keil, C, Maskos, K, Than, M, Hoopes, J.T, Huber, R, Tan, F, Deddish, P.A, Erdoes, E.G, Skidgel, R.A, Bode, W. | Deposit date: | 2006-11-05 | Release date: | 2007-04-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the human carboxypeptidase N (kininase I) catalytic domain J.Mol.Biol., 366, 2007
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2QZW
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