Author results

4XYC
  • Download 4xyc
  • View 4xyc
Molmil generated image of 4xyc
NANOMOLAR INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE 1: SYNTHESIS, BIOLOGICAL EVALUATION AND X-RAY CRYSTALLOGRAPHIC STUDIES
Descriptor:Glutamine synthetase 1, 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one
Authors:Couturier, C., Silve, S., Morales, R., Ppessegue, B., Llopart, S., Nair, A., Bauer, A., Scheiper, B., poeverlein, c., Ganzhorn, A., Lagrange, S., Bacque, E.
Deposit date:2015-02-02
Release date:2015-03-25
Last modified:2015-04-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Nanomolar inhibitors of Mycobacterium tuberculosis glutamine synthetase 1: Synthesis, biological evaluation and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 25, 2015
2YB8
  • Download 2yb8
  • View 2yb8
Molmil generated image of 2yb8
CRYSTAL STRUCTURE OF NURF55 IN COMPLEX WITH SU(Z)12
Descriptor:POLYCOMB PROTEIN SU(Z)12, PROBABLE HISTONE-BINDING PROTEIN CAF1, SULFATE ION
Authors:Schmitges, F.W., Prusty, A.B., Faty, M., Stutzer, A., Lingaraju, G.M., Aiwazian, J., Sack, R., Hess, D., Li, L., Zhou, S., Bunker, R.D., Wirth, U., Bouwmeester, T., Bauer, A., Ly-Hartig, N., Zhao, K., Chan, H., Gu, J., Gut, H., Fischle, W., Muller, J., Thoma, N.H.
Deposit date:2011-03-02
Release date:2011-05-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Histone Methylation by Prc2 is Inhibited by Active Chromatin Marks.
Mol.Cell, 42, 2011
2YBA
  • Download 2yba
  • View 2yba
Molmil generated image of 2yba
CRYSTAL STRUCTURE OF NURF55 IN COMPLEX WITH HISTONE H3
Descriptor:PROBABLE HISTONE-BINDING PROTEIN CAF1, HISTONE H3
Authors:Schmitges, F.W., Prusty, A.B., Faty, M., Stutzer, A., Lingaraju, G.M., Aiwazian, J., Sack, R., Hess, D., Li, L., Zhou, S., Bunker, R.D., Wirth, U., Bouwmeester, T., Bauer, A., Ly-Hartig, N., Zhao, K., Chan, H., Gu, J., Gut, H., Fischle, W., Muller, J., Thoma, N.H.
Deposit date:2011-03-02
Release date:2011-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Histone Methylation by Prc2 is Inhibited by Active Chromatin Marks
Mol.Cell, 42, 2011
5WZZ
  • Download 5wzz
  • View 5wzz
Molmil generated image of 5wzz
THE SIAH E3 UBIQUITIN LIGASES PROMOTE WNT/ BETA-CATENIN SIGNALING THROUGH MEDIATING WNT-INDUCED AXIN DEGRADATION
Descriptor:E3 ubiquitin-protein ligase SIAH1, Axin-1, ZINC ION
Authors:Ji, L., Jiang, B., Jiang, X., Charlat, O., Chen, A., Mickanin, C., Bauer, A., Xu, W., Yan, X.-X., Cong, F.
Deposit date:2017-01-19
Release date:2017-08-16
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:The SIAH E3 ubiquitin ligases promote Wnt/ beta-catenin signaling through mediating Wnt-induced Axin degradation
Genes Dev., 31, 2017
2BOH
  • Download 2boh
  • View 2boh
Molmil generated image of 2boh
CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND "1"
Descriptor:COAGULATION FACTOR XA, CALCIUM ION, 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE
Authors:Nazare, M., Will, D.W., Matter, H., Schreuder, H., Ritter, K., Urmann, M., Essrich, M., Bauer, A., Wagner, M., Czech, J., Laux, V., Wehner, V.
Deposit date:2005-04-11
Release date:2006-04-05
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
2BQ6
  • Download 2bq6
  • View 2bq6
Molmil generated image of 2bq6
CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH 21
Descriptor:COAGULATION FACTOR X, FACTOR XA, CALCIUM ION, ...
Authors:Nazare, M., Will, D.W., Matter, H., Schreuder, H., Ritter, K., Urmann, M., Essrich, M., Bauer, A., Wagner, M., Czech, J., Laux, V., Wehner, V.
Deposit date:2005-04-27
Release date:2006-04-26
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
2BQ7
  • Download 2bq7
  • View 2bq7
Molmil generated image of 2bq7
CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH 43
Descriptor:COAGULATION FACTOR X, FACTOR XA, N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE, ...
Authors:Nazare, M., Will, D.W., Matter, H., Schreuder, H., Ritter, K., Urmann, M., Essrich, M., Bauer, A., Wagner, M., Czech, J., Laux, V., Wehner, V.
Deposit date:2005-04-27
Release date:2006-04-26
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
2BQW
  • Download 2bqw
  • View 2bqw
Molmil generated image of 2bqw
CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND 45
Descriptor:COAGULATION FACTOR X, FACTOR XA, CALCIUM ION, ...
Authors:Nazare, M., Will, D.W., Matter, H., Schreuder, H., Ritter, K., Urmann, M., Essrich, M., Bauer, A., Wagner, M., Czech, J., Laux, V., Wehner, V.
Deposit date:2005-04-28
Release date:2006-04-26
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
4A7I
  • Download 4a7i
  • View 4a7i
Molmil generated image of 4a7i
FACTOR XA IN COMPLEX WITH A POTENT 2-AMINO-ETHANE SULFONAMIDE INHIBITOR
Descriptor:FACTOR X LIGHT CHAIN, ACTIVATED FACTOR XA HEAVY CHAIN XA, CALCIUM ION, ...
Authors:Nazare, M., Matter, H., Will, D.W., Wagner, M., Urmann, M., Czech, J., Schreuder, H., Bauer, A., Ritter, K., Wehner, V.
Deposit date:2011-11-14
Release date:2012-02-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment Deconstruction of Small, Potent Factor Xa Inhibitors: Exploring the Superadditivity Energetics of Fragment Linking in Protein-Ligand Complexes.
Angew.Chem.Int.Ed.Engl., 51, 2012
5AGU
  • Download 5agu
  • View 5agu
Molmil generated image of 5agu
THE SLIDING CLAMP OF MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH A NATURAL PRODUCT.
Descriptor:DNA POLYMERASE III SUBUNIT BETA, GRISELIMYCIN, (R,R)-2,3-BUTANEDIOL, ...
Authors:Lukat, P., Kling, A., Heinz, D.W., Mueller, R.
Deposit date:2015-02-03
Release date:2015-06-03
Last modified:2016-10-19
Method:X-RAY DIFFRACTION (2.173 Å)
Cite:Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5AGV
  • Download 5agv
  • View 5agv
Molmil generated image of 5agv
THE SLIDING CLAMP OF MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH A NATURAL PRODUCT.
Descriptor:DNA POLYMERASE III SUBUNIT BETA, CYCLOHEXYL GRISELIMYCIN, CALCIUM ION, ...
Authors:Lukat, P., Kling, A., Heinz, D.W., Mueller, R.
Deposit date:2015-02-03
Release date:2015-06-03
Last modified:2017-06-14
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5AH2
  • Download 5ah2
  • View 5ah2
Molmil generated image of 5ah2
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:2015-07-22
Method:X-RAY DIFFRACTION (2.129 Å)
Cite:Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5AH4
  • Download 5ah4
  • View 5ah4
Molmil generated image of 5ah4
THE SLIDING CLAMP OF MYCOBACTERIUM SMEGMATIS IN COMPLEX WITH A NATURAL PRODUCT.
Descriptor:DNA POLYMERASE III SUBUNIT BETA, CYCLOHEXYL 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:2015-06-17
Method:X-RAY DIFFRACTION (2.313 Å)
Cite:Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5LRG
  • Download 5lrg
  • View 5lrg
Molmil generated image of 5lrg
CRYSTAL STRUCTURE OF THE PORCINE CARBOXYPEPTIDASE B - ANABAENOPEPTIN B COMPLEX
Descriptor:Carboxypeptidase B, Anabaenopeptin B, ZINC ION
Authors:Schreuder, H., Liesum, A., Loenze, P.
Deposit date:2016-08-19
Release date:2016-09-21
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
Sci Rep, 6, 2016
5LRJ
  • Download 5lrj
  • View 5lrj
Molmil generated image of 5lrj
CRYSTAL STRUCTURE OF THE PORCINE CARBOXYPEPTIDASE B - ANABAENOPEPTIN C COMPLEX
Descriptor:Carboxypeptidase B, Anabaenopeptin C, ZINC ION
Authors:Schreuder, H., Liesum, A., Loenze, P.
Deposit date:2016-08-19
Release date:2016-09-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
Sci Rep, 6, 2016
5LRK
  • Download 5lrk
  • View 5lrk
Molmil generated image of 5lrk
CRYSTAL STRUCTURE OF THE PORCINE CARBOXYPEPTIDASE B - ANABAENOPEPTIN F COMPLEX
Descriptor:Carboxypeptidase B, Anabaenopeptin F, ZINC ION
Authors:Schreuder, H., Liesum, A., Loenze, P.
Deposit date:2016-08-19
Release date:2016-09-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
Sci Rep, 6, 2016
5N5D
  • Download 5n5d
  • View 5n5d
Molmil generated image of 5n5d
CRYSTAL STRUCTURE OF THE O-METHYLTRANSFERASE TOMG FROM STREPTOMYCES ACHROMOGENES INVOLVED IN TOMAYMYCIN SYNTHESIS IN COMPLEX WITH SAM
Descriptor:Methyltransferase, (R,R)-2,3-BUTANEDIOL, GLYCEROL, ...
Authors:Pippel, J., Blankenfeldt, W.
Deposit date:2017-02-13
Release date:2017-09-20
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Total Biosynthesis of the Pyrrolo[4,2]benzodiazepine Scaffold Tomaymycin on an In Vitro Reconstituted NRPS System.
Cell Chem Biol, 24, 2017