2RGU
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![BU of 2rgu by Molmil](/molmil-images/mine/2rgu) | Crystal structure of complex of human DPP4 and inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d ione, Dipeptidyl peptidase 4 | Authors: | Nar, H, Himmelsbach, F, Eckhardt, M. | Deposit date: | 2007-10-05 | Release date: | 2007-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 8-(3-(R)-Aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydropurine-2,6-dione (BI 1356), a Highly Potent, Selective, Long-Acting, and Orally Bioavailable DPP-4 Inhibitor for the Treatment of Type 2 Diabetes. J.Med.Chem., 50, 2007
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8P01
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![BU of 8p01 by Molmil](/molmil-images/mine/8p01) | Crystal structure of human STING ectodomain in complex with BI 7446, a potent cyclic dinucleotide STING agonist with broad-spectrum variant activity for the treatment of cancer | Descriptor: | 3-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-18-oxidanyl-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-6~{H}-imidazo[4,5-d]pyridazin-7-one, Stimulator of interferon genes protein | Authors: | Nar, H. | Deposit date: | 2023-05-09 | Release date: | 2023-07-26 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.094 Å) | Cite: | Discovery of BI 7446: A Potent Cyclic Dinucleotide STING Agonist with Broad-Spectrum Variant Activity for the Treatment of Cancer. J.Med.Chem., 66, 2023
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5LLS
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![BU of 5lls by Molmil](/molmil-images/mine/5lls) | Porcine dipeptidyl peptidase IV in complex with 8-(3-aminopiperidin-1-yl)-7-[(2-bromophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8-[(3~{R})-3-azanylpiperidin-1-yl]-7-[(2-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione, ... | Authors: | Nar, H, Blaesse, M. | Deposit date: | 2016-07-28 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Comparative Analysis of Binding Kinetics and Thermodynamics of Dipeptidyl Peptidase-4 Inhibitors and Their Relationship to Structure. J.Med.Chem., 59, 2016
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6TL9
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![BU of 6tl9 by Molmil](/molmil-images/mine/6tl9) | CRYSTAL STRUCTURE OF LECTIN-LIKE OX-LDL RECEPTOR 1 IN COMPLEX WITH BI-0115 | Descriptor: | 9-chloranyl-5-propyl-11~{H}-pyrido[2,3-b][1,4]benzodiazepin-6-one, GLYCEROL, Oxidized low-density lipoprotein receptor 1 | Authors: | Nar, H, Fiegen, D, Schnapp, G. | Deposit date: | 2019-12-02 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.734 Å) | Cite: | A small-molecule inhibitor of lectin-like oxidized LDL receptor-1 acts by stabilizing an inactive receptor tetramer state Commun Chem, 2020
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5AZU
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![BU of 5azu by Molmil](/molmil-images/mine/5azu) | |
6Y0F
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![BU of 6y0f by Molmil](/molmil-images/mine/6y0f) | Structure of human FAPalpha in complex with linagliptin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d ione, ... | Authors: | Nar, H, Schnapp, G, Schreiner, P. | Deposit date: | 2020-02-07 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.924 Å) | Cite: | Structure of human FAPalpha in complex with linagliptin To Be Published
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5F2P
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![BU of 5f2p by Molmil](/molmil-images/mine/5f2p) | Crystal structure of the BRD9 bromodomain in complex with compound 3. | Descriptor: | 2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one, BRD9 | Authors: | Nar, H, Fiegen, D, Zoephel, A, Bader, G. | Deposit date: | 2015-12-02 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
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6TLA
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![BU of 6tla by Molmil](/molmil-images/mine/6tla) | CRYSTAL STRUCTURE OF LECTIN-LIKE OX-LDL RECEPTOR 1 (C 1 2 1) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Oxidized low-density lipoprotein receptor 1 | Authors: | Nar, H, Fiegen, D, Schnapp, G. | Deposit date: | 2019-12-02 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | A small-molecule inhibitor of lectin-like oxidized LDL receptor-1 acts by stabilizing an inactive receptor tetramer state Commun Chem, 2020
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6TL7
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![BU of 6tl7 by Molmil](/molmil-images/mine/6tl7) | |
3E5V
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![BU of 3e5v by Molmil](/molmil-images/mine/3e5v) | Crystal Structure Analysis of eqFP611 Double Mutant T122R, N143S | Descriptor: | Red fluorescent protein eqFP611 | Authors: | Nar, H, Nienhaus, K, Nienhaus, U, Wiedenmann, J. | Deposit date: | 2008-08-14 | Release date: | 2008-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Trans-cis isomerization is responsible for the red-shifted fluorescence in variants of the red fluorescent protein eqFP611. J.Am.Chem.Soc., 130, 2008
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3E5T
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![BU of 3e5t by Molmil](/molmil-images/mine/3e5t) | Crystal Structure Analysis of FP611 | Descriptor: | Red fluorescent protein eqFP611 | Authors: | Nar, H, Nienhaus, K, Nienhaus, U, Wiedenmann, J. | Deposit date: | 2008-08-14 | Release date: | 2008-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Trans-cis isomerization is responsible for the red-shifted fluorescence in variants of the red fluorescent protein eqFP611. J.Am.Chem.Soc., 130, 2008
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4K8B
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![BU of 4k8b by Molmil](/molmil-images/mine/4k8b) | Crystal structure of HCV NS3/4A protease complexed with inhibitor | Descriptor: | N-(tert-butylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide, NS3 protease, Nonstructural protein, ... | Authors: | Nar, H. | Deposit date: | 2013-04-18 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Ligand bioactive conformation plays a critical role in the design of drugs that target the hepatitis C virus NS3 protease. J.Med.Chem., 57, 2014
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4AZU
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![BU of 4azu by Molmil](/molmil-images/mine/4azu) | |
3NJW
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![BU of 3njw by Molmil](/molmil-images/mine/3njw) | |
1G36
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![BU of 1g36 by Molmil](/molmil-images/mine/1g36) | TRYPSIN INHIBITOR COMPLEX | Descriptor: | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-1-YLMETHYL)-1H-BENZOIMIDAZOL-2-YLMETHYL]-AMINO}-BENZAMIDINE, CALCIUM ION, SULFATE 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
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1G2M
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![BU of 1g2m by Molmil](/molmil-images/mine/1g2m) | FACTOR XA INHIBITOR COMPLEX | Descriptor: | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-1-YLMETHYL)-1H-BENZOIMIDAZOL-2-YLMETHYL]-AMINO}-BENZAMIDINE, CALCIUM ION, COAGULATION FACTOR X | 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
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1G32
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![BU of 1g32 by Molmil](/molmil-images/mine/1g32) | THROMBIN INHIBITOR COMPLEX | Descriptor: | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-1-YLMETHYL)-1H-BENZOIMIDAZOL-2-YLMETHYL]-AMINO}-BENZAMIDINE, HIRUDIN IIB, PROTHROMBIN | 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
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1G2L
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![BU of 1g2l by Molmil](/molmil-images/mine/1g2l) | FACTOR XA INHIBITOR COMPLEX | Descriptor: | CALCIUM ION, COAGULATION FACTOR X, [(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
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1G30
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![BU of 1g30 by Molmil](/molmil-images/mine/1g30) | THROMBIN INHIBITOR COMPLEX | Descriptor: | HIRUDIN IIB, PROTHROMBIN, [(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
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1GTP
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![BU of 1gtp by Molmil](/molmil-images/mine/1gtp) | GTP CYCLOHYDROLASE I | Descriptor: | GTP CYCLOHYDROLASE I, SULFATE ION | Authors: | Nar, H, Huber, R, Meining, W, Bacher, A. | Deposit date: | 1995-09-16 | Release date: | 1996-11-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Atomic structure of GTP cyclohydrolase I. Structure, 3, 1995
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1GTQ
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![BU of 1gtq by Molmil](/molmil-images/mine/1gtq) | 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE | Descriptor: | 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE, ZINC ION | Authors: | Nar, H, Huber, R, Heizmann, C.W, Thoeny, B, Buergisser, D. | Deposit date: | 1995-09-16 | Release date: | 1996-04-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Three-dimensional structure of 6-pyruvoyl tetrahydropterin synthase, an enzyme involved in tetrahydrobiopterin biosynthesis. EMBO J., 13, 1994
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1OYQ
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![BU of 1oyq by Molmil](/molmil-images/mine/1oyq) | TRYPSIN INHIBITOR COMPLEX | Descriptor: | CALCIUM ION, SULFATE ION, Trypsin, ... | 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
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2BTJ
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![BU of 2btj by Molmil](/molmil-images/mine/2btj) | Fluorescent Protein EosFP - red form | Descriptor: | Green to red photoconvertible GFP-like protein EosFP | Authors: | Nar, H, Nienhaus, K, Wiedenmann, J, Nienhaus, G.U. | Deposit date: | 2005-06-01 | Release date: | 2005-06-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Photo-Induced Protein Cleavage and Green-to-Red Conversion of Fluorescent Protein Eosfp. Proc.Natl.Acad.Sci.USA, 102, 2005
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2AZU
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![BU of 2azu by Molmil](/molmil-images/mine/2azu) | |
1KTS
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![BU of 1kts by Molmil](/molmil-images/mine/1kts) | Thrombin Inhibitor Complex | Descriptor: | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-5-CARBONYL}-PYRIDIN-2-YL-AMINO)-PROPIONIC ACID ETHYL ESTER, hirudin IIB, thrombin | Authors: | Nar, H. | Deposit date: | 2002-01-17 | Release date: | 2002-02-06 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design of novel potent nonpeptide thrombin inhibitors. J.Med.Chem., 45, 2002
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