6FRR
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1A85
| MMP8 WITH MALONIC AND ASPARAGINE BASED INHIBITOR | 分子名称: | CALCIUM ION, MMP-8, N~1~-(3-aminobenzyl)-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-aspartamide, ... | 著者 | Brandstetter, H, Roedern, E.G.V, Grams, F, Engh, R.A. | 登録日 | 1998-04-03 | 公開日 | 1999-04-27 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of malonic acid-based inhibitors bound to human neutrophil collagenase. A new binding mode explains apparently anomalous data. Protein Sci., 7, 1998
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1A86
| MMP8 WITH MALONIC AND ASPARTIC ACID BASED INHIBITOR | 分子名称: | CALCIUM ION, MMP-8, N-benzyl-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alpha-asparagine, ... | 著者 | Brandstetter, H, Roedern, E.G.V, Grams, F, Engh, R.A. | 登録日 | 1998-04-03 | 公開日 | 1999-05-04 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of malonic acid-based inhibitors bound to human neutrophil collagenase. A new binding mode explains apparently anomalous data. Protein Sci., 7, 1998
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1FAX
| COAGULATION FACTOR XA INHIBITOR COMPLEX | 分子名称: | (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid, CALCIUM ION, FACTOR XA | 著者 | Brandstetter, H, Engh, R.A. | 登録日 | 1996-08-23 | 公開日 | 1997-10-29 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | X-ray structure of active site-inhibited clotting factor Xa. Implications for drug design and substrate recognition. J.Biol.Chem., 271, 1996
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1JJ9
| Crystal Structure of MMP8-Barbiturate Complex Reveals Mechanism for Collagen Substrate Recognition | 分子名称: | 2-HYDROXY-5-[4-(2-HYDROXY-ETHYL)-PIPERIDIN-1-YL]-5-PHENYL-1H-PYRIMIDINE-4,6-DIONE, CALCIUM ION, Matrix Metalloproteinase 8, ... | 著者 | Brandstetter, H, Grams, F, Glitz, D, Lang, A, Huber, R, Bode, W, Krell, H.-W, Engh, R.A. | 登録日 | 2001-07-04 | 公開日 | 2001-08-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The 1.8-A crystal structure of a matrix metalloproteinase 8-barbiturate inhibitor complex reveals a previously unobserved mechanism for collagenase substrate recognition. J.Biol.Chem., 276, 2001
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1PFX
| PORCINE FACTOR IXA | 分子名称: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, FACTOR IXA | 著者 | Brandstetter, H, Bauer, M, Huber, R, Lollar, P, Bode, W. | 登録日 | 1995-07-19 | 公開日 | 1996-08-17 | 最終更新日 | 2013-02-27 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | X-ray structure of clotting factor IXa: active site and module structure related to Xase activity and hemophilia B. Proc.Natl.Acad.Sci.USA, 92, 1995
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1K32
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5NIJ
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6TRK
| Phl p 6 fold stabilized mutant - S46Y | 分子名称: | Pollen allergen Phl p 6, ZINC ION | 著者 | Soh, W.T, Brandstetter, H. | 登録日 | 2019-12-19 | 公開日 | 2020-08-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | In silico Design of Phl p 6 Variants With Altered Fold-Stability Significantly Impacts Antigen Processing, Immunogenicity and Immune Polarization. Front Immunol, 11, 2020
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8OYH
| X-ray structure of furin (PCSK3) in complex with Guanidinomethyl-Phac-Can-Tle-Can-6-(aminomethyl)-3-amino-isoindol | 分子名称: | CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Dahms, S.O, Brandstetter, H. | 登録日 | 2023-05-04 | 公開日 | 2024-03-13 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors. Chemmedchem, 19, 2024
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4QIP
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6FK0
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6N3S
| Crystal structure of apo-cruzain | 分子名称: | 1,2-ETHANEDIOL, Cruzipain, PHOSPHATE ION | 著者 | Silva, E.B, Dall, E, Rodrigues, F.T.G, Ferreira, R.S, Brandstetter, H. | 登録日 | 2018-11-16 | 公開日 | 2019-05-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.193 Å) | 主引用文献 | Cruzain structures: apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design. Acta Crystallogr.,Sect.F, 75, 2019
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6O2X
| Structure of cruzain bound to MMTS inhibitor | 分子名称: | 1,2-ETHANEDIOL, Cruzipain, PHOSPHATE ION | 著者 | Silva, E.B, Dall, E, Ferreira, R.S, Brandstetter, H. | 登録日 | 2019-02-25 | 公開日 | 2019-05-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.193 Å) | 主引用文献 | Cruzain structures: apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design. Acta Crystallogr.,Sect.F, 75, 2019
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3GDF
| Crystal structure of the NADP-dependent mannitol dehydrogenase from Cladosporium herbarum. | 分子名称: | Probable NADP-dependent mannitol dehydrogenase, ZINC ION | 著者 | Nuess, D, Goettig, P, Magler, I, Denk, U, Breitenbach, M, Schneider, P.B, Brandstetter, H, Simon-Nobbe, B. | 登録日 | 2009-02-24 | 公開日 | 2010-05-26 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of the NADP-dependent mannitol dehydrogenase from Cladosporium herbarum: Implications for oligomerisation and catalysis. Biochimie, 92, 2010
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3GDG
| Crystal structure of the NADP-dependent mannitol dehydrogenase from Cladosporium herbarum. | 分子名称: | Probable NADP-dependent mannitol dehydrogenase, SODIUM ION | 著者 | Nuess, D, Goettig, P, Magler, I, Denk, U, Breitenbach, M, Schneider, P.B, Brandstetter, H, Simon-Nobbe, B. | 登録日 | 2009-02-24 | 公開日 | 2010-06-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of the NADP-dependent mannitol dehydrogenase from Cladosporium herbarum: Implications for oligomerisation and catalysis. Biochimie, 92, 2010
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4Z3L
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4Z8W
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6YSA
| Crystal structure of Arabidopsis thaliana legumain isoform beta in zymogen state | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, SULFATE ION, ... | 著者 | Dall, E, Zauner, F.B, Brandstetter, H. | 登録日 | 2020-04-21 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Structural and functional studies ofArabidopsis thalianalegumain beta reveal isoform specific mechanisms of activation and substrate recognition. J.Biol.Chem., 295, 2020
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6FOE
| BaxB01 Fab fragment | 分子名称: | Fab BaxB01 heavy chain, Fab BaxB01 light chain | 著者 | Hollerweger, J, Schinagl, A, Kerschbaumer, R.J, Scheiflinger, F, Thiele, M, Goettig, P, Brandstetter, H. | 登録日 | 2018-02-07 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Role of the Cysteine 81 Residue of Macrophage Migration Inhibitory Factor as a Molecular Redox Switch. Biochemistry, 57, 2018
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7ZBV
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7Z5U
| Crystal structure of the peptidase domain of collagenase G from Clostridium histolyticum in complex with a hydroxamate-based inhibitor | 分子名称: | (2~{R})-~{N}-[2-[4-[(2-acetamidophenoxy)methyl]-1,2,3-triazol-1-yl]ethyl]-2-(2-methylpropyl)-~{N}'-oxidanyl-propanediamide, CALCIUM ION, Collagenase ColG, ... | 著者 | Schoenauer, E, Brandstetter, H. | 登録日 | 2022-03-10 | 公開日 | 2022-11-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery and Characterization of Synthesized and FDA-Approved Inhibitors of Clostridial and Bacillary Collagenases. J.Med.Chem., 65, 2022
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8B4W
| X-ray structure of furin (PCSK3) in complex with 1H-isoindol-3-amine | 分子名称: | 1H-isoindol-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Dahms, S.O, Brandstetter, H. | 登録日 | 2022-09-21 | 公開日 | 2023-10-04 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors. Chemmedchem, 19, 2024
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8B4X
| X-ray structure of furin (PCSK3) in complex with Guanidinomethyl-Phac-R-Tle-K-6-(aminomethyl)-3-amino-isoindol | 分子名称: | CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Dahms, S.O, Brandstetter, H. | 登録日 | 2022-09-21 | 公開日 | 2023-10-04 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors. Chemmedchem, 19, 2024
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8B4V
| X-ray structure of furin (PCSK3) in complex with benzamidine | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, CALCIUM ION, ... | 著者 | Dahms, S.O, Brandstetter, H. | 登録日 | 2022-09-21 | 公開日 | 2023-10-04 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors. Chemmedchem, 19, 2024
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