6BVH
 
 | | Trypsin complexed with a modified sunflower trypsin inhibitor, SFTI-TCTR(N12,N14) | | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | 著者 | Riley, B.T, Chen, X. | | 登録日 | 2017-12-13 | | 公開日 | 2018-12-19 | | 最終更新日 | 2019-01-30 | | 実験手法 | X-RAY DIFFRACTION (1.927 Å) | | 主引用文献 | Potent, multi-target serine protease inhibition achieved by a simplified beta-sheet motif.
PLoS ONE, 14, 2019
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4Q7Z
 | | Neutrophil serine protease 4 (PRSS57) with phe-phe-arg-chloromethylketone (FFR-cmk) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | 著者 | Eigenbrot, C, Lin, S.J, Dong, K.C. | | 登録日 | 2014-04-25 | | 公開日 | 2014-09-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease.
Structure, 22, 2014
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4Q80
 | | Neutrophil serine protease 4 (PRSS57) with val-leu-lys-chloromethylketone (VLK-cmk) | | 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, D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide, ... | | 著者 | Eigenbrot, C, Lin, S.J, Dong, K.C. | | 登録日 | 2014-04-25 | | 公開日 | 2014-09-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.07 Å) | | 主引用文献 | Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease.
Structure, 22, 2014
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4Q7Y
 | | Neutrophil serine protease 4 (PRSS57) apo form 2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Serine protease 57, ... | | 著者 | Eigenbrot, C, Lin, S.J, Dong, K.C. | | 登録日 | 2014-04-25 | | 公開日 | 2014-09-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease.
Structure, 22, 2014
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4Q7X
 | | Neutrophil serine protease 4 (PRSS57) apo form 1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Serine protease 57, ... | | 著者 | Eigenbrot, C, Lin, S.J, Dong, K.C. | | 登録日 | 2014-04-25 | | 公開日 | 2014-09-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease.
Structure, 22, 2014
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6VY8
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4Y0Z
 | | Trypsin in complex with with BPTI mutant AMINOBUTYRIC ACID | | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | 著者 | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | | 登録日 | 2015-02-06 | | 公開日 | 2015-06-24 | | 最終更新日 | 2018-04-18 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Fluorine teams up with water to restore inhibitor activity to mutant BPTI.
Chem Sci, 6, 2015
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4Y11
 | | Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4,4-trifluorobutanoic acid | | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | 著者 | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | | 登録日 | 2015-02-06 | | 公開日 | 2015-06-24 | | 最終更新日 | 2018-04-18 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Fluorine teams up with water to restore inhibitor activity to mutant BPTI.
Chem Sci, 6, 2015
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4Y10
 | | Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4-difluorobutanoic acid | | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | 著者 | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | | 登録日 | 2015-02-06 | | 公開日 | 2015-06-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Fluorine teams up with water to restore inhibitor activity to mutant BPTI.
Chem Sci, 6, 2015
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4Y0Y
 | | Trypsin in complex with with BPTI | | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | 著者 | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | | 登録日 | 2015-02-06 | | 公開日 | 2015-06-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Fluorine teams up with water to restore inhibitor activity to mutant BPTI.
Chem Sci, 6, 2015
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2BLW
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2BLV
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3NKK
 | | Trypsin in complex with fluorine containing fragment | | 分子名称: | 3-fluoro-4-methylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... | | 著者 | Schiering, N, Vulpetti, A, Dalvit, C. | | 登録日 | 2010-06-20 | | 公開日 | 2010-11-10 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Combined use of computational chemistry, NMR screening, and X-ray crystallography for identification and characterization of fluorophilic protein environments.
Proteins, 78, 2010
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3NK8
 | | Trypsin in complex with fluorine-containing fragment | | 分子名称: | 4-(trifluoromethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one, CALCIUM ION, Cationic trypsin, ... | | 著者 | Schiering, N, Vulpetti, A, Dalvit, C. | | 登録日 | 2010-06-18 | | 公開日 | 2010-11-10 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Combined use of computational chemistry, NMR screening, and X-ray crystallography for identification and characterization of fluorophilic protein environments.
Proteins, 78, 2010
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7KU0
 | | Data clustering and dynamics of chymotrypsinogen cluster 138 (yellow) structure | | 分子名称: | Chymotrypsinogen A, SULFATE ION | | 著者 | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | | 登録日 | 2020-11-24 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
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7KU2
 | | Data clustering and dynamics of chymotrypsinogen clulster 140 (structure) | | 分子名称: | Chymotrypsinogen A, SULFATE ION | | 著者 | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | | 登録日 | 2020-11-24 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.185 Å) | | 主引用文献 | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
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7KU1
 | | Data clustering and dynamics of chymotrypsinogen cluster 139 (green) structure | | 分子名称: | Chymotrypsinogen A, SULFATE ION | | 著者 | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | | 登録日 | 2020-11-24 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
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7KU3
 | | Data clustering and dynamics of chymotrypsinogen cluster 141 (cyan) structure | | 分子名称: | Chymotrypsinogen A, SULFATE ION | | 著者 | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | | 登録日 | 2020-11-24 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
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7KTZ
 | | Data clustering and dynamics of chymotrypsinogen cluster 131 (purple) structure | | 分子名称: | Chymotrypsinogen A, SULFATE ION | | 著者 | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | | 登録日 | 2020-11-24 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
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7KTY
 | | Data clustering and dynamics of chymotrypsinogen average structure | | 分子名称: | Chymotrypsinogen A, SULFATE ION | | 著者 | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Shi, W, Sweet, R.M, Soares, A.S, Bernstein, H.J. | | 登録日 | 2020-11-24 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
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6T3Q
 | | Thrombin in Complex with a D-Phe-Pro-2-aminopyridine derivative | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Ngo, K, Collins, C, Heine, A, Klebe, G. | | 登録日 | 2019-10-11 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
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6TDT
 | | Thrombin in Complex with a D-DiPhe-Pro-p-pyridine derivative | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3,3-diphenyl-propanoyl]-~{N}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Ngo, K, Heine, A, Klebe, G. | | 登録日 | 2019-11-10 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
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6T4A
 | | Thrombin in Complex with a D-Phe-Pro-p-aminopyridine derivative | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Ngo, K, Collins, C, Heine, A, Klebe, G. | | 登録日 | 2019-10-13 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
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6A5I
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1XUJ
 | | TRYPSIN-KETO-BABIM-ZN+2, PH 8.2 | | 分子名称: | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC, CALCIUM ION, SULFATE ION, ... | | 著者 | Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. | | 登録日 | 1997-10-10 | | 公開日 | 1998-11-11 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
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