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PDB: 567 results

1TX8
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BU of 1tx8 by Molmil
Bovine Trypsin complexed with AMSO
Descriptor: 4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, Trypsinogen
Authors:Mesecar, A.D.
Deposit date:2004-07-02
Release date:2005-10-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design, synthesis, and evaluation of oxyanion-hole selective inhibitor substituents for the S1 subsite of factor Xa
Bioorg.Med.Chem.Lett., 14, 2004
3GY3
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BU of 3gy3 by Molmil
A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC
Descriptor: 1,2-ETHANEDIOL, 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, CALCIUM ION, ...
Authors:Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
Deposit date:2009-04-03
Release date:2010-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
3GY6
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BU of 3gy6 by Molmil
A comparative study on the inhibition of bovine beta-trypsin by the bis-benzamidines diminazene and pentamidine
Descriptor: 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ...
Authors:Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
Deposit date:2009-04-03
Release date:2010-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
4AOR
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BU of 4aor by Molmil
Cationic trypsin in complex with the Spinacia oleracea trypsin inhibitor III (SOTI-III)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Schmelz, S, Glotzbach, B, Reinwarth, M, Christmann, A, Kolmar, H, Heinz, D.W.
Deposit date:2012-03-29
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III)
Acta Crystallogr.,Sect.D, 69, 2013
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
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
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
1V2S
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BU of 1v2s by Molmil
Benzamidine in complex with bovine trypsin variant X(SSFI.Glu)bT.D1
Descriptor: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
Authors:Rauh, D, Klebe, G, Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
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
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
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
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
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
3A7T
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BU of 3a7t by Molmil
Crystal Structure of Trypsin complexed with 4-formylbenzimidamide
Descriptor: 4-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
3A82
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BU of 3a82 by Molmil
Crystal Structure of Trypsin complexed with pre-synthesized (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, 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
3A8D
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BU of 3a8d by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (under aniline-free condition)
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, 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
3A85
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BU of 3a85 by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 15 seconds)
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, 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
3A80
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BU of 3a80 by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid (soaking 40seconds)
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid, 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
3A7X
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BU of 3a7x by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 45seconds)
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, 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
3A86
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BU of 3a86 by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 30 seconds)
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, 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
1O3B
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BU of 1o3b by Molmil
Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
Descriptor: 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ...
Authors:Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W.
Deposit date:2003-03-06
Release date:2003-09-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003
1TX7
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BU of 1tx7 by Molmil
Bovine Trypsin complexed with p-amidinophenylmethylphosphinic acid (AMPA)
Descriptor: (4-CARBAMIMIDOYLPHENYL)-METHYL-PHOSPHINIC ACID, CALCIUM ION, Trypsinogen
Authors:Cui, J, Marankan, F, Fu, W, Crich, D, Mesecar, A, Johnson, M.E.
Deposit date:2004-07-02
Release date:2005-09-20
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An oxyanion-hole selective serine protease inhibitor in complex with trypsin.
Bioorg.Med.Chem., 10, 2002
3T29
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BU of 3t29 by Molmil
TMAO-grown trigonal trypsin (bovine)
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Cahn, J, Venkat, M, Marshall, H, Juers, D.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012

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