Author results

4AEL
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PDE10A IN COMPLEX WITH THE INHIBITOR AZ5
Descriptor:CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ZINC ION, ...
Authors:Bauer, U., Giordanetto, F., Bauer, M., OMahony, G., Johansson, K.E., Knecht, W., Hartleib-Geschwindner, J., Toppner Carlsson, E., Enroth, C., Sjogren, T.
Deposit date:2012-01-11
Release date:2012-01-25
Last modified:2012-08-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of 4-Hydroxy-1,6-Naphthyridine-3-Carbonitrile Derivatives as Novel Pde10A Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
2MBK
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THE CLIP-SEGMENT OF THE VON WILLEBRAND DOMAIN 1 OF THE BMP MODULATOR PROTEIN CROSSVEINLESS 2 IS PREFORMED
Descriptor:Crossveinless 2
Authors:Mueller, T.D., Fiebig, J.E., Weidauer, S.E., Qiu, L., Bauer, M., Schmieder, P., Beerbaum, M., Zhang, J., Oschkinat, H., Sebald, W.
Deposit date:2013-08-02
Release date:2013-10-16
Method:SOLUTION NMR
Cite:The Clip-Segment of the von Willebrand Domain 1 of the BMP Modulator Protein Crossveinless 2 Is Preformed.
Molecules, 18, 2013
2YK1
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STRUCTURE OF HUMAN ANTI-NICOTINE FAB FRAGMENT IN COMPLEX WITH NICOTINE
Descriptor:FAB FRAGMENT, HEAVY CHAIN, LIGHT CHAIN, ...
Authors:Tars, K., Kotelovica, S., Lipowsky, G., Bauer, M., Beerli, R., Bachmann, M., Maurer, P.
Deposit date:2011-05-25
Release date:2011-11-16
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Different Binding Modes of Free and Carrier-Protein-Coupled Nicotine in a Human Monoclonal Antibody.
J.Mol.Biol., 415, 2012
2YKL
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STRUCTURE OF HUMAN ANTI-NICOTINE FAB FRAGMENT IN COMPLEX WITH NICOTINE-11-YL-METHYL-(4-ETHYLAMINO-4-OXO)-BUTANOATE
Descriptor:FAB FRAGMENT, HEAVY CHAIN, LIGHT CHAIN, ...
Authors:Tars, K., Kotelovica, S., Lipowsky, G., Bauer, M., Beerli, R., Bachmann, M., Maurer, P.
Deposit date:2011-05-27
Release date:2011-11-16
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Different Binding Modes of Free and Carrier-Protein-Coupled Nicotine in a Human Monoclonal Antibody.
J.Mol.Biol., 415, 2012
1DB2
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CRYSTAL STRUCTURE OF NATIVE PLASMINOGEN ACTIVATOR INHIBITOR-1
Descriptor:PLASMINOGEN ACTIVATOR INHIBITOR-1
Authors:Nar, H., Bauer, M., Stassen, J.M., Lang, D., Gils, A., Declerck, P.
Deposit date:1999-11-02
Release date:1999-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Plasminogen activator inhibitor 1. Structure of the native serpin, comparison to its other conformers and implications for serpin inactivation.
J.Mol.Biol., 297, 2000
1PFX
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PORCINE FACTOR IXA
Descriptor:FACTOR IXA, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
Authors:Brandstetter, H., Bauer, M., Huber, R., Lollar, P., Bode, W.
Deposit date:1995-07-19
Release date:1996-08-17
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray structure of clotting factor IXa: active site and module structure related to Xase activity and hemophilia B.
Proc.Natl.Acad.Sci.USA, 92, 1995
1SMP
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CRYSTAL STRUCTURE OF A COMPLEX BETWEEN SERRATIA MARCESCENS METALLO-PROTEASE AND AN INHIBITOR FROM ERWINIA CHRYSANTHEMI
Descriptor:SERRATIA METALLO PROTEINASE, ERWINIA CHRYSANTHEMI INHIBITOR, ZINC ION, ...
Authors:Baumann, U., Bauer, M., Letoffe, S., Delepelaire, P., Wandersman, C.
Deposit date:1995-01-13
Release date:1996-04-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a complex between Serratia marcescens metallo-protease and an inhibitor from Erwinia chrysanthemi.
J.Mol.Biol., 248, 1995
5G4M
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CRYSTAL STRUCTURE OF THE P53 CANCER MUTANT Y220C IN COMPLEX WITH A MONOFLUORINATED DERIVATIVE OF THE SMALL MOLECULE STABILIZER PHIKAN083
Descriptor:CELLULAR TUMOR ANTIGEN P53, ZINC ION, 1-[9-(2-fluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine, ...
Authors:Joerger, A.C., Bauer, M.
Deposit date:2016-05-13
Release date:2016-06-22
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Acs Chem.Biol., 11, 2016
5G4N
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CRYSTAL STRUCTURE OF THE P53 CANCER MUTANT Y220C IN COMPLEX WITH A DIFLUORINATED DERIVATIVE OF THE SMALL MOLECULE STABILIZER PHIKAN083
Descriptor:CELLULAR TUMOR ANTIGEN P53, ZINC ION, 1-[9-(2,2-difluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine, ...
Authors:Joerger, A.C., Bauer, M., Jones, R.N., Spencer, J.
Deposit date:2016-05-13
Release date:2016-06-22
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Acs Chem.Biol., 11, 2016
5G4O
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CRYSTAL STRUCTURE OF THE P53 CANCER MUTANT Y220C IN COMPLEX WITH A TRIFLUORINATED DERIVATIVE OF THE SMALL MOLECULE STABILIZER PHIKAN083
Descriptor:CELLULAR TUMOR ANTIGEN P53, ZINC ION, N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine
Authors:Joerger, A.C., Bauer, M., Baud, M.G.J., Spencer, J.
Deposit date:2016-05-13
Release date:2016-06-22
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Acs Chem.Biol., 11, 2016
1LDT
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COMPLEX OF LEECH-DERIVED TRYPTASE INHIBITOR WITH PORCINE TRYPSIN
Descriptor:TRYPSIN, TRYPTASE INHIBITOR, CALCIUM ION
Authors:Stubbs, M.T.
Deposit date:1997-05-15
Release date:1998-05-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The three-dimensional structure of recombinant leech-derived tryptase inhibitor in complex with trypsin. Implications for the structure of human mast cell tryptase and its inhibition.
J.Biol.Chem., 272, 1997
1TBQ
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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
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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
1G2L
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FACTOR XA INHIBITOR COMPLEX
Descriptor:COAGULATION FACTOR X, CALCIUM ION, [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-1-METHYL-1H-BENZOIMIDAZOL-5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER
Authors:Nar, H.
Deposit date:2000-10-20
Release date:2001-10-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors.
Structure, 9, 2001
1G2M
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FACTOR XA INHIBITOR COMPLEX
Descriptor:COAGULATION FACTOR X, CALCIUM ION, 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-1-YLMETHYL)-1H-BENZOIMIDAZOL-2-YLMETHYL]-AMINO}-BENZAMIDINE
Authors:Nar, H.
Deposit date:2000-10-20
Release date:2001-10-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors.
Structure, 9, 2001
1G30
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THROMBIN INHIBITOR COMPLEX
Descriptor:PROTHROMBIN, HIRUDIN IIB, [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-1-METHYL-1H-BENZOIMIDAZOL-5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER
Authors:Nar, H.
Deposit date:2000-10-23
Release date:2001-10-23
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors.
Structure, 9, 2001
1G32
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THROMBIN INHIBITOR COMPLEX
Descriptor:PROTHROMBIN, HIRUDIN IIB, 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-1-YLMETHYL)-1H-BENZOIMIDAZOL-2-YLMETHYL]-AMINO}-BENZAMIDINE
Authors:Nar, H.
Deposit date:2000-10-23
Release date:2001-10-23
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors.
Structure, 9, 2001
1G36
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TRYPSIN INHIBITOR COMPLEX
Descriptor:TRYPSINOGEN, CATIONIC, CALCIUM ION, ...
Authors:Nar, H.
Deposit date:2000-10-23
Release date:2001-10-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors.
Structure, 9, 2001
1OYQ
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TRYPSIN INHIBITOR COMPLEX
Descriptor:Trypsin, cationic, CALCIUM ION, ...
Authors:Nar, H.
Deposit date:2003-04-07
Release date:2003-04-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for Inhibition Promiscuity of Dual Specific Thrombin and Factor Xa Blood Coagulation Inhibitors
Structure, 9, 2001
1RTF
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COMPLEX OF BENZAMIDINE WITH THE CATALYTIC DOMAIN OF HUMAN TWO CHAIN TISSUE PLASMINOGEN ACTIVATOR [(TC)-T-PA]
Descriptor:TWO CHAIN TISSUE PLASMINOGEN ACTIVATOR, PHOSPHATE ION, BENZAMIDINE
Authors:Bode, W., Lamba, D.
Deposit date:1995-11-10
Release date:1997-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The 2.3 A crystal structure of the catalytic domain of recombinant two-chain human tissue-type plasminogen activator
J.Mol.Biol., 258, 1996
5LAV
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NOVEL SPIRO[3H-INDOLE-3,2 -PYRROLIDIN]-2(1H)-ONE INHIBITORS OF THE MDM2-P53 INTERACTION: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 6B
Descriptor:E3 ubiquitin-protein ligase Mdm2, (3~{S},3'~{S},4'~{S})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, SULFATE ION
Authors:Kessler, D., Gollner, A.
Deposit date:2016-06-15
Release date:2016-11-02
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
5LAW
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NOVEL SPIRO[3H-INDOLE-3,2 -PYRROLIDIN]-2(1H)-ONE INHIBITORS OF THE MDM2-P53 INTERACTION: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 14
Descriptor:E3 ubiquitin-protein ligase Mdm2, 2-[(3~{S},3'~{a}~{S},6'~{S},6'~{a}~{S})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{H}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{H}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid, SULFATE ION
Authors:Kessler, D., Gollner, A.
Deposit date:2016-06-15
Release date:2016-11-02
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
5LAY
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DISCOVERY OF NEW NATURAL-PRODUCT-INSPIRED SPIRO-OXINDOLE COMPOUNDS AS ORALLY ACTIVE INHIBITORS OF THE MDM2-P53 INTERACTION: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 6G
Descriptor:E3 ubiquitin-protein ligase Mdm2, GLYCEROL, SULFATE ION, ...
Authors:Kessler, D., Gollner, A.
Deposit date:2016-06-15
Release date:2016-11-02
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
5LAZ
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NOVEL SPIRO[3H-INDOLE-3,2 -PYRROLIDIN]-2(1H)-ONE INHIBITORS OF THE MDM2-P53 INTERACTION: HDM2 (MDM2) IN COMPLEX WITH COMPOUND BI-0252
Descriptor:E3 ubiquitin-protein ligase Mdm2, 4-[(2~{R},3~{a}~{S},5~{S},6~{S},6~{a}~{S})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{H}-indole]-2-yl]benzoic acid, ZINC ION, ...
Authors:Kessler, D., Gollner, A.
Deposit date:2016-06-15
Release date:2016-11-02
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
1A5H
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CATALYTIC DOMAIN OF HUMAN TWO-CHAIN TISSUE PLASMINOGEN ACTIVATOR COMPLEX OF A BIS-BENZAMIDINE
Descriptor:TISSUE PLASMINOGEN ACTIVATOR, 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE
Authors:Renatus, M., Bode, W., Stubbs, M.T.
Deposit date:1998-02-17
Release date:1999-04-20
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural mapping of the active site specificity determinants of human tissue-type plasminogen activator. Implications for the design of low molecular weight substrates and inhibitors.
J.Biol.Chem., 272, 1997
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