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4EHL
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BU of 4ehl by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
Authors:Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
Deposit date:2012-04-02
Release date:2012-06-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
4EHD
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BU of 4ehd by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
Authors:Walters, J, Schipper, J.L, Swartz, P, Mattos, C, Clark, A.C.
Deposit date:2012-04-02
Release date:2012-06-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.581 Å)
Cite:Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
4EHN
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BU of 4ehn by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
Authors:Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
Deposit date:2012-04-02
Release date:2012-06-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
4EHF
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BU of 4ehf by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
Authors:Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
Deposit date:2012-04-02
Release date:2012-06-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
4EHK
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BU of 4ehk by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
Authors:Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
Deposit date:2012-04-02
Release date:2012-06-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.668 Å)
Cite:Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
3ITN
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BU of 3itn by Molmil
Crystal structure of Pseudo-activated Procaspase-3
Descriptor: ACETYL-ASP-GLU-VAL-ASP-CHLOROMETHYL KETONE inhibitor, Caspase-3
Authors:Walters, J, Pop, C, Scott, F.L, Drag, M, Swartz, P.D, Mattos, C, Salvesen, G.S, Clark, A.C.
Deposit date:2009-08-28
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A constitutively active and uninhibitable caspase-3 zymogen efficiently induces apoptosis.
Biochem.J., 424, 2009
3PCX
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BU of 3pcx by Molmil
Caspase-3 E246A, K242A Double Mutant
Descriptor: Caspase-3, Inhibitor Ac-DEVD-CMK
Authors:Walters, J, Swartz, P, Mattos, C, Clark, A.C.
Deposit date:2010-10-22
Release date:2011-02-23
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3.
Arch.Biochem.Biophys., 508, 2011
3PD1
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BU of 3pd1 by Molmil
Caspase-3 K242A
Descriptor: Caspase-3, Inhibitor Ac-DEVD-CMK
Authors:Walters, J, Swartz, P, Mattos, C, Clark, A.C.
Deposit date:2010-10-22
Release date:2011-02-23
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3.
Arch.Biochem.Biophys., 508, 2011
3PD0
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BU of 3pd0 by Molmil
Caspase-3 E246A
Descriptor: CHLORIDE ION, Caspase-3, INHIBITOR AC-DEVD-CMK
Authors:Walters, J, Swartz, P, Mattos, C, Clark, A.C.
Deposit date:2010-10-22
Release date:2011-02-16
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3.
Arch.Biochem.Biophys., 508, 2011
4EHA
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BU of 4eha by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
Authors:Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
Deposit date:2012-04-02
Release date:2012-06-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
4EHH
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BU of 4ehh by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
Authors:Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
Deposit date:2012-04-02
Release date:2012-06-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
3PTN
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BU of 3ptn by Molmil
ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY
Descriptor: CALCIUM ION, TRYPSIN
Authors:Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R.
Deposit date:1981-10-26
Release date:1982-03-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography
Acta Crystallogr.,Sect.B, 38, 1982
2TGT
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BU of 2tgt by Molmil
ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY
Descriptor: CALCIUM ION, METHANOL, TRYPSINOGEN
Authors:Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R.
Deposit date:1981-10-26
Release date:1982-03-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography
Acta Crystallogr.,Sect.B, 38, 1982
2TGA
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BU of 2tga by Molmil
ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY
Descriptor: CALCIUM ION, TRYPSINOGEN
Authors:Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R.
Deposit date:1981-10-26
Release date:1982-03-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography
Acta Crystallogr.,Sect.B, 38, 1982
1TGC
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BU of 1tgc by Molmil
ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY
Descriptor: CALCIUM ION, TRYPSINOGEN
Authors:Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R.
Deposit date:1981-10-26
Release date:1982-03-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography
Acta Crystallogr.,Sect.B, 38, 1982
1TGT
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BU of 1tgt by Molmil
ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY
Descriptor: CALCIUM ION, METHANOL, TRYPSINOGEN
Authors:Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R.
Deposit date:1981-10-26
Release date:1982-03-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography
Acta Crystallogr.,Sect.B, 38, 1982
2TPI
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BU of 2tpi by Molmil
ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY
Descriptor: ISOLEUCINE, MERCURY (II) ION, TRYPSIN INHIBITOR, ...
Authors:Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R.
Deposit date:1981-10-26
Release date:1982-03-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography
Acta Crystallogr.,Sect.B, 38, 1982
2PTN
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BU of 2ptn by Molmil
ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY
Descriptor: CALCIUM ION, TRYPSIN
Authors:Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R.
Deposit date:1981-10-26
Release date:1982-03-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography
Acta Crystallogr.,Sect.B, 38, 1982
1TPP
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BU of 1tpp by Molmil
THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS
Descriptor: (2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid, BETA-TRYPSIN, CALCIUM ION, ...
Authors:Walter, J, Bode, W, Huber, R.
Deposit date:1982-09-27
Release date:1983-01-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors
Acta Crystallogr.,Sect.B, 39, 1983
3PTB
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BU of 3ptb by Molmil
THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS
Descriptor: BENZAMIDINE, BETA-TRYPSIN, CALCIUM ION
Authors:Bode, W, Schwager, P, Walter, J.
Deposit date:1982-09-27
Release date:1983-01-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors
Acta Crystallogr.,Sect.B, 39, 1983
4TPI
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BU of 4tpi by Molmil
THE REFINED 2.2-ANGSTROMS (0.22-NM) X-RAY CRYSTAL STRUCTURE OF THE TERNARY COMPLEX FORMED BY BOVINE TRYPSINOGEN, VALINE-VALINE AND THE ARG15 ANALOGUE OF BOVINE PANCREATIC TRYPSIN INHIBITOR
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, SULFATE ION, ...
Authors:Bode, W, Walter, J.
Deposit date:1985-06-11
Release date:1985-11-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The refined 2.2-A (0.22-nm) X-ray crystal structure of the ternary complex formed by bovine trypsinogen, valine-valine and the Arg15 analogue of bovine pancreatic trypsin inhibitor
Eur.J.Biochem., 144, 1984
1TPO
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BU of 1tpo by Molmil
THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS
Descriptor: BETA-TRYPSIN, CALCIUM ION
Authors:Bode, W, Walter, J, Huber, R.
Deposit date:1982-09-27
Release date:1983-01-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors
Acta Crystallogr.,Sect.B, 39, 1983
1MQ6
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BU of 1mq6 by Molmil
Crystal Structure of 3-chloro-N-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5-dihydro-2-oxazolyl)methylamino]methyl]-2-thiophenecarboxamide Complexed with Human Factor Xa
Descriptor: 3-CHLORO-N-[4-CHLORO-2-[[(5-CHLORO-2-PYRIDINYL)AMINO]CARBONYL]-6-METHOXYPHENYL]-4-[[(4,5-DIHYDRO-2-OXAZOLYL)METHYLAMINO]METHYL]-2-THIOPHENECARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2002-09-13
Release date:2003-01-28
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Two Potent Nonamidine Inhibitors Bound to Factor Xa
Biochemistry, 41, 2002
2P3U
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BU of 2p3u by Molmil
Crystal structure of human factor XA complexed with 3-chloro-N-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide {Pfizer 320663}
Descriptor: 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X
Authors:Adler, M, Whitlow, M.
Deposit date:2007-03-09
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:

2P3T
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BU of 2p3t by Molmil
Crystal structure of human factor XA complexed with 3-Chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide
Descriptor: 3-CHLORO-4-(2-METHYLAMINO-IMIDAZOL-1-YLMETHYL)-THIOPHENE-2-CARBOXYLIC ACID [4-CHLORO-2-(5-CHLORO-PYRIDIN-2-YLCARBAMOYL)-6-METHOXY-PHENYL]-AMIDE, CALCIUM ION, CHLORIDE ION, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-03-09
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Thiophene-anthranilamides as highly potent and orally available factor xa inhibitors.
J.Med.Chem., 50, 2007

 

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