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3RXV
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BU of 3rxv by Molmil
Crystal structure of Trypsin complexed with benzamide (F05 and F03, cocktail experiment)
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXS
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BU of 3rxs by Molmil
Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamine (F04 and A06, cocktail experiment)
Descriptor: 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXE
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BU of 3rxe by Molmil
Crystal structure of Trypsin complexed with benzamide
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXR
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BU of 3rxr by Molmil
Crystal structure of Trypsin complexed with cycloheptanamine (F01 and F03, cocktail experiment)
Descriptor: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3ATL
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BU of 3atl by Molmil
Crystal structure of trypsin complexed with benzamidine
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2011-01-05
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3ATK
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BU of 3atk by Molmil
Crystal structure of trypsin complexed with cycloheptanamine
Descriptor: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2011-01-05
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3ATI
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BU of 3ati by Molmil
Crystal structure of trypsin complexed with (3-methoxyphenyl)methanamine
Descriptor: 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2011-01-05
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3ATM
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BU of 3atm by Molmil
Crystal structure of trypsin complexed with 2-(1H-indol-3-yl)ethanamine
Descriptor: 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2011-01-05
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3QK1
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BU of 3qk1 by Molmil
Crystal Structure of Enterokinase-like Trypsin Variant
Descriptor: 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ...
Authors:Schoepfel, M, Tziridis, A, Arnold, U, Stubbs, M.T.
Deposit date:2011-01-31
Release date:2011-03-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Towards a restriction proteinase: construction of a self-activating enzyme.
Chembiochem, 12, 2011
2FX4
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BU of 2fx4 by Molmil
Bovine trypsin bound by 4-piperidinebutyrate to make acylenzyme complex
Descriptor: 4-PIPERIDINEBUTYRATE, CALCIUM ION, trypsin
Authors:Katz, B.A.
Deposit date:2006-02-03
Release date:2006-02-14
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2G8T
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BU of 2g8t by Molmil
Indole-amidine Complexes with Bovine Trypsin
Descriptor: 2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE, CALCIUM ION, Cationic trypsin, ...
Authors:Kline, A.D, Briggs, S.L, Subramaniam, S.
Deposit date:2006-03-03
Release date:2006-09-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Ligand Epitoping By Proton NMR Chemical Shift Differences
To be published
2FX6
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BU of 2fx6 by Molmil
bovine trypsin complexed with 2-aminobenzamidazole
Descriptor: 2H-BENZOIMIDAZOL-2-YLAMINE, CALCIUM ION, Trypsin
Authors:Katz, B.A.
Deposit date:2006-02-03
Release date:2006-02-14
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2G5N
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BU of 2g5n by Molmil
Indole-amidine Complexes with Bovine Trypsin
Descriptor: 2-(3-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE, CALCIUM ION, Cationic trypsin, ...
Authors:Kline, A.D, Briggs, S.L, Subramaniam, S.
Deposit date:2006-02-23
Release date:2006-08-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Ligand Epitoping By Proton NMR Chemical Shift Differences
To be published
2G5V
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BU of 2g5v by Molmil
Indole-amidine Complexes with Bovine Trypsin
Descriptor: 2-(2-METHYLPHENYL)-1H-INDOLE-6-CARBOXIMIDAMIDE, CALCIUM ION, Cationic trypsin
Authors:Kline, A.D, Briggs, S.L, Subramaniam, S.
Deposit date:2006-02-23
Release date:2006-08-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Ligand Epitoping By Proton NMR Chemical Shift Differences
To be published
6T9U
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BU of 6t9u by Molmil
Bovine Trypsine in complex with the synthetic inhibitor (S)-3'-(N-(1-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-3-(3-carbamimidoylphenyl)-1-oxopropan-2-yl)sulfamoyl)-[1,1'-biphenyl]-3-carboximidamide (MI-490)
Descriptor: 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea, CALCIUM ION, Cationic Trypsin, ...
Authors:Mueller, J.M, Merkl, S, Keils, A, Pilgram, O, Steinmetzer, T.
Deposit date:2019-10-28
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.067509 Å)
Cite:Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
2G55
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BU of 2g55 by Molmil
Anomalous substructure of trypsin (P3121)
Descriptor: CALCIUM ION, CHLORIDE ION, Cationic trypsin
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
6T9V
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BU of 6t9v by Molmil
Bovine Trypsin in complex with the synthetic inhibitor (S)-3-(3-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-2-((3'-fluoro-4'-(hydroxymethyl)-[1,1'-biphenyl])-3-sulfonamido)-3-oxopropyl)benzimidamide (MI-1904)
Descriptor: 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea, CALCIUM ION, Cationic Trypsin, ...
Authors:Merkl, S, Keils, A, Mueller, J.M, Pilgram, O, Steinmetzer, T.
Deposit date:2019-10-28
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.12642729 Å)
Cite:Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
5JB5
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BU of 5jb5 by Molmil
A simplified BPTI variant containing 22 alanines out of 58 residues
Descriptor: Pancreatic trypsin inhibitor, SULFATE ION
Authors:Islam, M.M.
Deposit date:2016-04-13
Release date:2017-04-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of highly simplified BPTIs provide insights into hydration-driven increase of unfolding enthalpy
Sci Rep, 7, 2017
5JB6
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BU of 5jb6 by Molmil
A simplified BPTI variant containing 23 alanines out of 58 residues
Descriptor: Pancreatic trypsin inhibitor, SULFATE ION
Authors:Islam, M.M.
Deposit date:2016-04-13
Release date:2017-04-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of highly simplified BPTIs provide insights into hydration-driven increase of unfolding enthalpy
Sci Rep, 7, 2017
1K9B
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BU of 1k9b by Molmil
Crystal structure of the bifunctional soybean Bowman-Birk inhibitor at 0.28 nm resolution. Structural peculiarities in a folded protein conformation
Descriptor: BOWMAN-BIRK TYPE PROTEINASE INHIBITOR
Authors:Voss, R.H, Ermler, U, Essen, L.O, Wenzl, G, Kim, Y.M, Flecker, P.
Deposit date:2001-10-29
Release date:2001-11-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the bifunctional soybean Bowman-Birk inhibitor at 0.28-nm resolution. Structural peculiarities in a folded protein conformation.
Eur.J.Biochem., 242, 1996
1UMA
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BU of 1uma by Molmil
ALPHA-THROMBIN (HIRUGEN) COMPLEXED WITH NA-(N,N-DIMETHYLCARBAMOYL)-ALPHA-AZALYSINE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUDIN I, ...
Authors:Nardini, M, Pesce, A, Rizzi, M, Casale, E, Ferraccioli, R, Balliano, G, Milla, P, Ascenzi, P, Bolognesi, M.
Deposit date:1996-03-26
Release date:1996-11-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human alpha-thrombin inhibition by the active site titrant N alpha-(N,N-dimethylcarbamoyl)-alpha-azalysine p-nitrophenyl ester: a comparative kinetic and X-ray crystallographic study.
J.Mol.Biol., 258, 1996
3A7V
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BU of 3a7v by Molmil
Crystal Structure of Trypsin complexed with 3-formylbenzimidamide
Descriptor: 3-formylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A87
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BU of 3a87 by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 5 minutes)
Descriptor: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A7W
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BU of 3a7w by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((tetrahydro-2H-pyran-2-yloxyimino)methyl)benzimidamide (soaking 4hours)
Descriptor: (E)-4-((tetrahydro-2H-pyran-2-yloxyimino)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A88
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BU of 3a88 by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 30 minutes)
Descriptor: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published

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数据于2024-08-28公开中

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