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4BTI
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BU of 4bti by Molmil
factor Xa in complex with the dual thrombin-FXa inhibitor 58.
Descriptor: 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ...
Authors:Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M.
Deposit date:2013-06-18
Release date:2013-12-25
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor.
J.Med.Chem., 56, 2013
4BTU
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BU of 4btu by Molmil
Factor Xa in complex with the dual thrombin-FXa inhibitor 57.
Descriptor: 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ...
Authors:Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M.
Deposit date:2013-06-19
Release date:2013-12-18
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor.
J.Med.Chem., 56, 2013
4BTT
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BU of 4btt by Molmil
factor Xa in complex with the dual thrombin-FXa inhibitor 31.
Descriptor: CALCIUM ION, COAGULATION FACTOR X, COAGULATION FACTOR X LIGHT CHAIN, ...
Authors:Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M.
Deposit date:2013-06-19
Release date:2013-12-18
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor.
J.Med.Chem., 56, 2013
5AH2
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BU of 5ah2 by Molmil
The sliding clamp of Mycobacterium smegmatis in complex with a natural product.
Descriptor: DNA POLYMERASE III SUBUNIT BETA, GRISELIMYCIN, SODIUM ION
Authors:Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
Deposit date:2015-02-04
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.129 Å)
Cite:Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5AGU
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BU of 5agu by Molmil
The sliding clamp of Mycobacterium tuberculosis in complex with a natural product.
Descriptor: (R,R)-2,3-BUTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA POLYMERASE III SUBUNIT BETA, ...
Authors:Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
Deposit date:2015-02-03
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.173 Å)
Cite:Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5AH4
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BU of 5ah4 by Molmil
The sliding clamp of Mycobacterium smegmatis in complex with a natural product.
Descriptor: CYCLOHEXYL GRISELIMYCIN, DNA POLYMERASE III SUBUNIT BETA, SODIUM ION
Authors:Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
Deposit date:2015-02-04
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.313 Å)
Cite:Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5AGV
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BU of 5agv by Molmil
The sliding clamp of Mycobacterium tuberculosis in complex with a natural product.
Descriptor: (R,R)-2,3-BUTANEDIOL, CALCIUM ION, CYCLOHEXYL GRISELIMYCIN, ...
Authors:Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
Deposit date:2015-02-03
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
4LOY
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BU of 4loy by Molmil
Crystal Structure Analysis of thrombin in complex with compound D57, 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2- oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1- yl)-3-oxopropyl]amide (SAR107375)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide, Hirudin variant-2, ...
Authors:Stehlin-Gaon, C, Bocskei, Z.
Deposit date:2013-07-14
Release date:2014-06-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor.
J.Med.Chem., 56, 2013
4LXB
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BU of 4lxb by Molmil
Crystal Structure Analysis of thrombin in complex with compound D58
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide, Hirudin variant-1, ...
Authors:Stehlin-Gaon, C, Bocskei, Z.
Deposit date:2013-07-29
Release date:2014-06-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor.
J.Med.Chem., 56, 2013

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