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1A7C
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BU of 1a7c by Molmil
HUMAN PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 IN COMPLEX WITH A PENTAPEPTIDE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-ribopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PENTAPEPTIDE, ...
Authors:Xue, Y, Inghardt, T, Sjolin, L, Deinum, J.
Deposit date:1998-03-12
Release date:1999-03-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Interfering with the inhibitory mechanism of serpins: crystal structure of a complex formed between cleaved plasminogen activator inhibitor type 1 and a reactive-centre loop peptide
Structure, 6, 1998
2V00
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BU of 2v00 by Molmil
X-ray crystal structure of endothiapepsin complexed with compound 1
Descriptor: 2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4(3H)-ONE, ACETATE ION, ENDOTHIAPEPSIN, ...
Authors:Geschwindner, S, Olsson, L.L, Deinum, J, Albert, J.S, Edwards, P.D, De Beer, T, Folmer, R.H.A.
Deposit date:2007-05-03
Release date:2007-12-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of a Novel Warhead Against Beta-Secretase Through Fragment-Based Lead Generation.
J.Med.Chem., 50, 2007
4AQH
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BU of 4aqh by Molmil
Plasminogen activator inhibitor type-1 in complex with the inhibitor AZ3976
Descriptor: PLASMINOGEN ACTIVATOR INHIBITOR 1, TERT-BUTYL 3-[(4-OXO-3H-PYRIDO[2,3-D]PYRIMIDIN-2-YL)AMINO]AZETIDINE-1-CARBOXYLATE
Authors:Fjellstrom, O, Deinum, J, Sjogren, T, Johansson, C, Geschwindner, S, Nerme, V, Legnehed, A, McPheat, J, Olsson, K, Bodin, C, Gustafsson, D.
Deposit date:2012-04-17
Release date:2012-11-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Characterization of a Small Molecule Inhibitor of Plasminogen Activator Inhibitor Type 1 that Accelerates the Transition Into the Latent Conformation
J.Biol.Chem., 288, 2013
3BG8
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BU of 3bg8 by Molmil
Crystal structure of Factor XIa in complex with Clavatadine A
Descriptor: BENZAMIDINE, Coagulation factor XIa light chain, N-(4-carbamimidamidobutyl)ethanamide, ...
Authors:Xue, Y, Oster, L.
Deposit date:2007-11-26
Release date:2008-12-09
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Clavatadine A, a natural product with selective recognition and irreversible inhibition of factor XIa.
J.Med.Chem., 51, 2008
4BAM
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BU of 4bam by Molmil
Thrombin in complex with inhibitor
Descriptor: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ...
Authors:Xue, Y, Musil, D.
Deposit date:2012-09-14
Release date:2013-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
4BAH
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BU of 4bah by Molmil
Thrombin in complex with inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, SODIUM ION, ...
Authors:Xue, Y, Musil, D.
Deposit date:2012-09-14
Release date:2013-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
4BAQ
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BU of 4baq by Molmil
Thrombin in complex with inhibitor
Descriptor: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ...
Authors:Xue, Y, Musil, D.
Deposit date:2012-09-14
Release date:2013-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
4BAN
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BU of 4ban by Molmil
Thrombin in complex with inhibitor
Descriptor: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
Authors:Xue, Y, Musil, D.
Deposit date:2012-09-14
Release date:2013-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
4BAK
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BU of 4bak by Molmil
Thrombin in complex with inhibitor
Descriptor: (2S)-N-(4-CARBAMIMIDOYLBENZYL)-1-[(2R)-2-CYCLOHEXYL-2-{[2-OXO-2-(PROPYLAMINO)ETHYL]AMINO}ACETYL]AZETIDINE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ...
Authors:Xue, Y, Musil, D.
Deposit date:2012-09-14
Release date:2013-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
4BAO
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BU of 4bao by Molmil
Thrombin in complex with inhibitor
Descriptor: (2S)-1-[(2R)-2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-cyclohexyl-ethanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
Authors:Xue, Y, Musil, D.
Deposit date:2012-09-14
Release date:2013-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013

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