Author results

2V0Z
  • Download 2v0z
  • View 2v0z
Molmil generated image of 2v0z
CRYSTAL STRUCTURE OF RENIN WITH INHIBITOR 10 (ALISKIREN)
Descriptor:RENIN, N-ACETYL-D-GLUCOSAMINE, ALISKIREN
Authors:Rahuel, J., Rasetti, V., Maibaum, J., Rueger, H., Goschke, R., Cohen, N.C., Stutz, S., Cumin, F., Fuhrer, W., Wood, J.M., Grutter, M.G.
Deposit date:2007-05-21
Release date:2007-07-03
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V10
  • Download 2v10
  • View 2v10
Molmil generated image of 2v10
CRYSTAL STRUCTURE OF RENIN WITH INHIBITOR 9
Descriptor:RENIN, (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-2,8-DIMETHYLNONANAMIDE
Authors:Rahuel, J., Rasetti, V., Maibaum, J., Rueger, H., Goschke, R., Cohen, N.C., Stutz, S., Cumin, F., Fuhrer, W., Wood, J.M., Grutter, M.G.
Deposit date:2007-05-21
Release date:2007-07-03
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V11
  • Download 2v11
  • View 2v11
Molmil generated image of 2v11
CRYSTAL STRUCTURE OF RENIN WITH INHIBITOR 6
Descriptor:RENIN, (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE
Authors:Rahuel, J., Rasetti, V., Maibaum, J., Rueger, H., Goschke, R., Cohen, N.C., Stutz, S., Cumin, F., Fuhrer, W., Wood, J.M., Grutter, M.G.
Deposit date:2007-05-21
Release date:2007-07-03
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V12
  • Download 2v12
  • View 2v12
Molmil generated image of 2v12
CRYSTAL STRUCTURE OF RENIN WITH INHIBITOR 8
Descriptor:RENIN, N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE
Authors:Rahuel, J., Rasetti, V., Maibaum, J., Rueger, H., Goschke, R., Cohen, N.C., Stutz, S., Cumin, F., Fuhrer, W., Wood, J.M., Grutter, M.G.
Deposit date:2007-05-21
Release date:2007-07-03
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V13
  • Download 2v13
  • View 2v13
Molmil generated image of 2v13
CRYSTAL STRUCTURE OF RENIN WITH INHIBITOR 7
Descriptor:RENIN, N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE
Authors:Rahuel, J., Rasetti, V., Maibaum, J., Rueger, H., Goschke, R., Cohen, N.C., Stutz, S., Cumin, F., Fuhrer, W., Wood, J.M., Grutter, M.G.
Deposit date:2007-05-21
Release date:2008-07-08
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V16
  • Download 2v16
  • View 2v16
Molmil generated image of 2v16
CRYSTAL STRUCTURE OF RENIN WITH INHIBITOR 3
Descriptor:RENIN, METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-9-OXO-NONANOYL]-3,4-DIHYDRO-2H-QUINOLINE-3-CARBOXYLATE
Authors:Rahuel, J., Rasetti, V., Maibaum, J., Rueger, H., Goschke, R., Cohen, N.C., Stutz, S., Cumin, F., Fuhrer, W., Wood, J.M., Grutter, M.G.
Deposit date:2007-05-22
Release date:2008-07-08
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
1TZE
  • Download 1tze
  • View 1tze
Molmil generated image of 1tze
SIGNAL TRANSDUCTION ADAPTOR GROWTH FACTOR, GRB2 SH2 DOMAIN COMPLEXED WITH PHOSPHOTYROSYL HEPTAPEPTIDE LYS-PRO-PHE-PTYR-VAL-ASN-VAL-NH2 (KFPPYVNC-NH2)
Descriptor:GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2, PHOSPHOTYROSYL HEPTAPEPTIDE LYS-PRO-PHE-PTYR-VAL-ASN-VAL-NH2
Authors:Rahuel, J., Grutter, M.G.
Deposit date:1996-06-06
Release date:1997-07-07
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for specificity of Grb2-SH2 revealed by a novel ligand binding mode.
Nat.Struct.Biol., 3, 1996
1ZFP
  • Download 1zfp
  • View 1zfp
Molmil generated image of 1zfp
GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN COMPLEXED WITH A PHOSPHOTYROSYL PENTAPEPTIDE
Descriptor:GROWTH FACTOR RECEPTOR BINDING PROTEIN, EPIDERMAL GROWTH FACTOR RECEPTOR-DERIVED PEPTIDE, ZINC ION
Authors:Rahuel, J.
Deposit date:1998-03-26
Release date:1999-03-30
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the high affinity of amino-aromatic SH2 phosphopeptide ligands.
J.Mol.Biol., 279, 1998
1CJ1
  • Download 1cj1
  • View 1cj1
Molmil generated image of 1cj1
GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN (HUMAN) COMPLEXED WITH A PHOSPHOTYROSYL DERIVATIVE
Descriptor:PROTEIN (GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2), [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER
Authors:Rahuel, J.
Deposit date:1999-04-21
Release date:1999-12-22
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-based design, synthesis, and X-ray crystallography of a high-affinity antagonist of the Grb2-SH2 domain containing an asparagine mimetic.
J.Med.Chem., 42, 1999
1RNE
  • Download 1rne
  • View 1rne
Molmil generated image of 1rne
THE CRYSTAL STRUCTURE OF RECOMBINANT GLYCOSYLATED HUMAN RENIN ALONE AND IN COMPLEX WITH A TRANSITION STATE ANALOG INHIBITOR
Descriptor:RENIN, N-ACETYL-D-GALACTOSAMINE, [[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE
Authors:Gruetter, M.G., Rahuel, J., Priestle, J.P.
Deposit date:1991-12-12
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structures of recombinant glycosylated human renin alone and in complex with a transition state analog inhibitor.
J.Struct.Biol., 107, 1991
2JED
  • Download 2jed
  • View 2jed
Molmil generated image of 2jed
THE CRYSTAL STRUCTURE OF THE KINASE DOMAIN OF THE PROTEIN KINASE C THETA IN COMPLEX WITH NVP-XAA228 AT 2.32A RESOLUTION.
Descriptor:PROTEIN KINASE C THETA, 3-(8-DIMETHYLAMINOMETHYL-6,7,8,9-TETRAHYDRO-PYRIDO[1,2-A]INDOL-10-YL)-4-(1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE, (4S)-2-METHYL-2,4-PENTANEDIOL
Authors:Stark, W., Bitsch, F., Berner, A., Buelens, F., Graff, P., Depersin, H., Geiser, M., Knecht, R., Rahuel, J., Rummel, G., Schlaeppi, J.M., Schmitz, R., Strauss, A., Wagner, J.
Deposit date:2007-01-16
Release date:2008-02-05
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:The Crystal Structure of the Kinase Domain of the Protein Kinase C Theta in Complex with Nvp-Xaa228
To be Published
1TMT
  • Download 1tmt
  • View 1tmt
Molmil generated image of 1tmt
CHANGES IN INTERACTIONS IN COMPLEXES OF HIRUDIN DERIVATIVES AND HUMAN ALPHA-THROMBIN DUE TO DIFFERENT CRYSTAL FORMS
Descriptor:ALPHA-THROMBIN (SMALL SUBUNIT), ALPHA-THROMBIN (LARGE SUBUNIT), CGP 50,856 INHIBITOR, ...
Authors:Priestle, J.P., Gruetter, M.G.
Deposit date:1994-05-26
Release date:1994-09-30
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Changes in interactions in complexes of hirudin derivatives and human alpha-thrombin due to different crystal forms.
Protein Sci., 2, 1993
1TMU
  • Download 1tmu
  • View 1tmu
Molmil generated image of 1tmu
CHANGES IN INTERACTIONS IN COMPLEXES OF HIRUDIN DERIVATIVES AND HUMAN ALPHA-THROMBIN DUE TO DIFFERENT CRYSTAL FORMS
Descriptor:Thrombin light chain, Thrombin heavy chain, Hirudin variant-2, ...
Authors:Priestle, J.P., Gruetter, M.G.
Deposit date:1994-05-26
Release date:1994-09-30
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Changes in interactions in complexes of hirudin derivatives and human alpha-thrombin due to different crystal forms.
Protein Sci., 2, 1993
1SBN
  • Download 1sbn
  • View 1sbn
Molmil generated image of 1sbn
REFINED CRYSTAL STRUCTURES OF SUBTILISIN NOVO IN COMPLEX WITH WILD-TYPE AND TWO MUTANT EGLINS. COMPARISON WITH OTHER SERINE PROTEINASE INHIBITOR COMPLEXES
Descriptor:SUBTILISIN NOVO BPN', EGLIN C, CALCIUM ION
Authors:Gruetter, M.G., Heinz, D.W., Priestle, J.P.
Deposit date:1991-12-20
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Refined crystal structures of subtilisin novo in complex with wild-type and two mutant eglins. Comparison with other serine proteinase inhibitor complexes.
J.Mol.Biol., 217, 1991
1SIB
  • Download 1sib
  • View 1sib
Molmil generated image of 1sib
REFINED CRYSTAL STRUCTURES OF SUBTILISIN NOVO IN COMPLEX WITH WILD-TYPE AND TWO MUTANT EGLINS. COMPARISON WITH OTHER SERINE PROTEINASE INHIBITOR COMPLEXES
Descriptor:SUBTILISIN NOVO BPN', EGLIN C, CALCIUM ION
Authors:Gruetter, M.G., Heinz, D.W., Priestle, J.P.
Deposit date:1993-08-02
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Refined crystal structures of subtilisin novo in complex with wild-type and two mutant eglins. Comparison with other serine proteinase inhibitor complexes.
J.Mol.Biol., 217, 1991
1DWB
  • Download 1dwb
  • View 1dwb
Molmil generated image of 1dwb
CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS
Descriptor:ALPHA-THROMBIN (SMALL SUBUNIT), ALPHA-THROMBIN (LARGE SUBUNIT), HIRUDIN IIIA, ...
Authors:Banner, D.W., Hadvary, P.
Deposit date:1992-08-19
Release date:1994-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
1DWC
  • Download 1dwc
  • View 1dwc
Molmil generated image of 1dwc
CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS
Descriptor:ALPHA-THROMBIN (SMALL SUBUNIT), ALPHA-THROMBIN (LARGE SUBUNIT), HIRUDIN IIIA, ...
Authors:Banner, D.W., Hadvary, P.
Deposit date:1992-08-19
Release date:1994-01-31
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
1DWD
  • Download 1dwd
  • View 1dwd
Molmil generated image of 1dwd
CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS
Descriptor:ALPHA-THROMBIN (SMALL SUBUNIT), ALPHA-THROMBIN (LARGE SUBUNIT), HIRUDIN IIIA, ...
Authors:Banner, D.W., Hadvary, P.
Deposit date:1992-08-19
Release date:1994-01-31
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
1DWE
  • Download 1dwe
  • View 1dwe
Molmil generated image of 1dwe
CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS
Descriptor:ALPHA-THROMBIN light chain, ALPHA-THROMBIN heavy chain, HIRUDIN IIIA, ...
Authors:Banner, D.W., Hadvary, P.
Deposit date:1992-08-19
Release date:1994-01-31
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
1TBQ
  • Download 1tbq
  • View 1tbq
Molmil generated image of 1tbq
CRYSTAL STRUCTURE OF INSECT DERIVED DOUBLE DOMAIN KAZAL INHIBITOR RHODNIIN IN COMPLEX WITH THROMBIN
Descriptor:THROMBIN, RHODNIIN
Authors:Van De Locht, A., Lamba, D., Bode, W.
Deposit date:1995-03-02
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Two heads are better than one: crystal structure of the insect derived double domain Kazal inhibitor rhodniin in complex with thrombin.
EMBO J., 14, 1995
1TBR
  • Download 1tbr
  • View 1tbr
Molmil generated image of 1tbr
CRYSTAL STRUCTURE OF INSECT DERIVED DOUBLE DOMAIN KAZAL INHIBITOR RHODNIIN IN COMPLEX WITH THROMBIN
Descriptor:THROMBIN, RHODNIIN
Authors:Van De Locht, A., Lamba, D., Bode, W.
Deposit date:1995-03-03
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Two heads are better than one: crystal structure of the insect derived double domain Kazal inhibitor rhodniin in complex with thrombin.
EMBO J., 14, 1995