7ZBV
 
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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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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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7QXZ
 | | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 5 | | 分子名称: | 2-[(3S)-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Dahms, S.O, Brandstetter, H, Pautsch, A. | | 登録日 | 2022-01-27 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
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7QY1
 | | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 4 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate, CALCIUM ION, ... | | 著者 | Dahms, S.O, Brandstetter, H, Pautsch, A. | | 登録日 | 2022-01-27 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
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7QXY
 | | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 3 | | 分子名称: | 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Dahms, S.O, Brandstetter, H, Pautsch, A. | | 登録日 | 2022-01-27 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.478 Å) | | 主引用文献 | Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
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7QY0
 | | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Dahms, S.O, Brandstetter, H, Pautsch, A. | | 登録日 | 2022-01-27 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
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7QY2
 | | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 2 | | 分子名称: | (2R)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Dahms, S.O, Brandstetter, H, Pautsch, A. | | 登録日 | 2022-01-27 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
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5MS3
 | | Kallikrein-related peptidase 8 calcium complex | | 分子名称: | CALCIUM ION, Kallikrein-8 | | 著者 | Debela, M, Magdolen, V, Skala, W, Bode, W, Brandstetter, H, Goettig, P. | | 登録日 | 2016-12-30 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Specificity profiles and antagonistic Ca2+ and Zn2+ regulation of human KLK8/neuropsin activity by modules identified in crystal structures
To Be Published
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5MS4
 | | Kallikrein-related peptidase 8 leupeptin inhibitor complex | | 分子名称: | CALCIUM ION, Kallikrein-8, LEUPEPTIN, ... | | 著者 | Debela, M, Magdolen, V, Skala, W, Bode, W, Brandstetter, H, Goettig, P. | | 登録日 | 2016-12-30 | | 公開日 | 2018-01-17 | | 最終更新日 | 2019-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural determinants of specificity and regulation of activity in the allosteric loop network of human KLK8/neuropsin.
Sci Rep, 8, 2018
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5NIJ
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5O7E
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5NZC
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5NZB
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5OBT
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5LUA
 | | Crystal structure of human legumain (AEP) in complex with compound 11b | | 分子名称: | 2,4-di(morpholin-4-yl)aniline, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Dall, E, Ye, K, Brandstetter, H. | | 登録日 | 2016-09-08 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
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5LUB
 | | Crystal structure of human legumain (AEP) in complex with compound 11 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine, ... | | 著者 | Dall, E, Ye, K, Brandstetter, H. | | 登録日 | 2016-09-08 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
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5LU8
 | | CRYSTAL STRUCTURE OF YVAD-CMK BOUND HUMAN LEGUMAIN (AEP) IN COMPLEX WITH COMPOUND 11B | | 分子名称: | 2,4-di(morpholin-4-yl)aniline, 2-acetamido-2-deoxy-beta-D-glucopyranose, AC-TYR-VAL-ALA-ASP-CHLOROMETHYLKETONE, ... | | 著者 | Dall, E, Ye, K, Brandstetter, H. | | 登録日 | 2016-09-08 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
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5LU9
 | | Crystal structure of YVAD-cmk bound human legumain (AEP) in complex with compound 11 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine, AC-TYR-VAL-ALA-ASP-CHLOROMETHYLKETONE, ... | | 著者 | Dall, E, Ye, K, Brandstetter, H. | | 登録日 | 2016-09-08 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
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4BQD
 | | KD1 of human TFPI in complex with a synthetic peptide | | 分子名称: | GLYCEROL, PEPTIDE, TISSUE FACTOR PATHWAY INHIBITOR (LIPOPROTEIN-ASSOCIATED COAGULATION INHIBITOR) VARIANT | | 著者 | Griessner, A, Brandstetter, H. | | 登録日 | 2013-05-30 | | 公開日 | 2013-12-04 | | 最終更新日 | 2019-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Small Peptides Blocking Inhibition of Factor Xa and Tissue Factor-Factor Viia by Tissue Factor Pathway Inhibitor (Tfpi)
J.Biol.Chem., 289, 2014
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2Y72
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7ZOC
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8AE4
 | | Crystal structure of human legumain in complex with Clitocypin 2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Clitocypin-2, ... | | 著者 | Elamin, T, Brandstetter, H, Dall, E. | | 登録日 | 2022-07-12 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Structural and functional studies of legumain-mycocypin complexes revealed a competitive, exosite-regulated mode of interaction.
J.Biol.Chem., 298, 2022
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8AE5
 | | Crystal structure of human legumain in complex with macrocypin 1a | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Legumain, ... | | 著者 | Elamin, T, Brandstetter, H, Dall, E. | | 登録日 | 2022-07-12 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Structural and functional studies of legumain-mycocypin complexes revealed a competitive, exosite-regulated mode of interaction.
J.Biol.Chem., 298, 2022
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