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PDB: 570 件

3RXG
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BU of 3rxg by Molmil
Crystal structure of Trypsin complexed with 4-aminocyclohexanol
分子名称: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXT
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BU of 3rxt by Molmil
Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamin (F04 and F03, cocktail experiment)
分子名称: 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXC
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BU of 3rxc by Molmil
Crystal structure of Trypsin complexed with 2-aminopyridine
分子名称: 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXJ
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BU of 3rxj by Molmil
Crystal structure of Trypsin complexed with 4-guanidinobenzoic acid
分子名称: 4-carbamimidamidobenzoic acid, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
1V2R
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BU of 1v2r by Molmil
Trypsin inhibitor in complex with bovine trypsin variant X(SSRI)bT.B4
分子名称: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
4AOR
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BU of 4aor by Molmil
Cationic trypsin in complex with the Spinacia oleracea trypsin inhibitor III (SOTI-III)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Schmelz, S, Glotzbach, B, Reinwarth, M, Christmann, A, Kolmar, H, Heinz, D.W.
登録日2012-03-29
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献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
分子名称: 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2011-01-05
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献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)
分子名称: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献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
分子名称: 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2011-01-05
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献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
分子名称: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
3RXS
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BU of 3rxs by Molmil
Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamine (F04 and A06, cocktail experiment)
分子名称: 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献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
分子名称: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2011-01-05
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献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
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2011-01-05
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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)
分子名称: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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)
分子名称: (E)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid, CALCIUM ION, Cationic trypsin
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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)
分子名称: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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)
分子名称: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A8B
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BU of 3a8b by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((4-bromophenylimino)methyl)benzimidamide
分子名称: (E)-4-((4-bromophenylimino)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
3AAS
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BU of 3aas by Molmil
Bovine beta-trypsin bound to meta-guanidino schiff base copper (II) chelate
分子名称: (E)-N-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-L-alanine, CALCIUM ION, COPPER (II) ION, ...
著者Iyaguchi, D, Kawano, S, Toyota, E.
登録日2009-11-26
公開日2010-04-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for the design of novel Schiff base metal chelate inhibitors of trypsin
Bioorg.Med.Chem., 18, 2010
3A84
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BU of 3a84 by Molmil
Crystal Structure of Trypsin complexed with(E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 5 seconds)
分子名称: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
1TX7
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BU of 1tx7 by Molmil
Bovine Trypsin complexed with p-amidinophenylmethylphosphinic acid (AMPA)
分子名称: (4-CARBAMIMIDOYLPHENYL)-METHYL-PHOSPHINIC ACID, CALCIUM ION, Trypsinogen
著者Cui, J, Marankan, F, Fu, W, Crich, D, Mesecar, A, Johnson, M.E.
登録日2004-07-02
公開日2005-09-20
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献An oxyanion-hole selective serine protease inhibitor in complex with trypsin.
Bioorg.Med.Chem., 10, 2002
3GY8
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BU of 3gy8 by Molmil
A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC
分子名称: 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ...
著者Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
登録日2009-04-03
公開日2010-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
3T29
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BU of 3t29 by Molmil
TMAO-grown trigonal trypsin (bovine)
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Cahn, J, Venkat, M, Marshall, H, Juers, D.
登録日2011-07-22
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
3BTH
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BU of 3bth by Molmil
THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI
分子名称: CALCIUM ION, PROTEIN (PANCREATIC TRYPSIN INHIBITOR), PROTEIN (TRYPSIN), ...
著者Helland, R, Otlewski, J, Sundheim, O, Dadlez, M, Smalas, A.O.
登録日1999-03-10
公開日2000-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The crystal structures of the complexes between bovine beta-trypsin and ten P1 variants of BPTI.
J.Mol.Biol., 287, 1999
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
分子名称: 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ...
著者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.
登録日2003-03-06
公開日2003-09-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003

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