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 | | 分子名称: | 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 | | 著者 | Nar, H. | | 登録日 | 2023-05-09 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.094 Å) | | 主引用文献 | 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
 | | 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 | | 分子名称: | 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, ... | | 著者 | Nar, H, Blaesse, M. | | 登録日 | 2016-07-28 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | 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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5F2P
 | | Crystal structure of the BRD9 bromodomain in complex with compound 3. | | 分子名称: | 2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one, BRD9 | | 著者 | Nar, H, Fiegen, D, Zoephel, A, Bader, G. | | 登録日 | 2015-12-02 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
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3E5V
 | | Crystal Structure Analysis of eqFP611 Double Mutant T122R, N143S | | 分子名称: | Red fluorescent protein eqFP611 | | 著者 | Nar, H, Nienhaus, K, Nienhaus, U, Wiedenmann, J. | | 登録日 | 2008-08-14 | | 公開日 | 2008-09-23 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | 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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4K8B
 | | Crystal structure of HCV NS3/4A protease complexed with inhibitor | | 分子名称: | 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, ... | | 著者 | Nar, H. | | 登録日 | 2013-04-18 | | 公開日 | 2014-03-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | 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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3AZU
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2BTJ
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1KTS
 | | Thrombin Inhibitor Complex | | 分子名称: | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-5-CARBONYL}-PYRIDIN-2-YL-AMINO)-PROPIONIC ACID ETHYL ESTER, hirudin IIB, thrombin | | 著者 | Nar, H. | | 登録日 | 2002-01-17 | | 公開日 | 2002-02-06 | | 最終更新日 | 2013-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-based design of novel potent nonpeptide thrombin inhibitors.
J.Med.Chem., 45, 2002
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1KTT
 | | Thrombin inhibitor complex | | 分子名称: | 4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE, hirudin IIB, thrombin | | 著者 | Nar, H. | | 登録日 | 2002-01-17 | | 公開日 | 2002-02-06 | | 最終更新日 | 2013-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-based design of novel potent nonpeptide thrombin inhibitors.
J.Med.Chem., 45, 2002
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1ZUX
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7WJT
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4C1W
 | | Carbohydrate binding domain from Streptococcus pneumoniae NanA sialidase complexed with 3'-sialyllactose | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, NEURAMINIDASE | | 著者 | Yang, L, Connaris, H, Potter, J.A, Taylor, G.L. | | 登録日 | 2013-08-14 | | 公開日 | 2014-08-27 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Prevention of Influenza by Targeting Host Receptors Using Engineered Proteins.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1ORL
 | | 1H NMR structure determination of Viscotoxin C1 | | 分子名称: | Viscotoxin C1 | | 著者 | Molinari, H, Romagnoli, S, Fogolari, F, Catalano, M, Urech, K, Giannattasio, M, Ragona, L. | | 登録日 | 2003-03-14 | | 公開日 | 2003-04-01 | | 最終更新日 | 2011-07-13 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR solution structure of viscotoxin C1 from Viscum album species Coloratum ohwi: toward a structure-function analysis of viscotoxins.
Biochemistry, 42, 2003
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2K0N
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1ETJ
 | | AZURIN MUTANT WITH MET 121 REPLACED BY GLU | | 分子名称: | AZURIN, COPPER (II) ION | | 著者 | Karlsson, B.G, Tsai, L.-C, Nar, H, Sanders-Loehr, J, Bonander, N, Langer, V, Sjolin, L. | | 登録日 | 1997-01-11 | | 公開日 | 1997-04-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | X-ray structure determination and characterization of the Pseudomonas aeruginosa azurin mutant Met121Glu.
Biochemistry, 36, 1997
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1N3R
 | | Biosynthesis of pteridins. Reaction mechanism of GTP cyclohydrolase I | | 分子名称: | GTP cyclohydrolase I, GUANOSINE-5'-TRIPHOSPHATE | | 著者 | Rebelo, J, Auerbach, G, Bader, G, Bracher, A, Nar, H, Hoesl, C, Schramek, N, Kaiser, J, Bacher, A, Huber, R, Fischer, M. | | 登録日 | 2002-10-29 | | 公開日 | 2003-10-14 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Biosynthesis of Pteridines. Reaction Mechanism of GTP Cyclohydrolase I
J.MOL.BIOL., 326, 2003
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1N3S
 | | Biosynthesis of pteridins. Reaction mechanism of GTP cyclohydrolase I | | 分子名称: | GTP cyclohydrolase I, GUANOSINE-5'-TRIPHOSPHATE | | 著者 | Rebelo, J, Auerbach, G, Bader, G, Bracher, A, Nar, H, Hoesl, C, Schramek, N, Kaiser, J, Bacher, A, Huber, R, Fischer, M. | | 登録日 | 2002-10-29 | | 公開日 | 2004-03-02 | | 最終更新日 | 2021-11-10 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Biosynthesis of Pteridines. Reaction Mechanism of GTP Cyclohydrolase I
J.MOL.BIOL., 326, 2003
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1N3T
 | | Biosynthesis of pteridins. Reaction mechanism of GTP cyclohydrolase I | | 分子名称: | GTP cyclohydrolase I, GUANOSINE-5'-TRIPHOSPHATE | | 著者 | Rebelo, J, Auerbach, G, Bader, G, Bracher, A, Nar, H, Hoesl, C, Schramek, N, Kaiser, J, Bacher, A, Huber, R, Fischer, M. | | 登録日 | 2002-10-29 | | 公開日 | 2003-10-14 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Biosynthesis of Pteridines. Reaction Mechanism of GTP Cyclohydrolase I
J.MOL.BIOL., 326, 2003
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9FE6
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9FEB
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8C7H
 | | Cryo-EM Map of the latTGF-beta 28G11 Fab complex | | 分子名称: | 28G11 Fab heavy chain, 28G11 Fab light chain, Transforming growth factor beta activator LRRC32, ... | | 著者 | Ebenhoch, R, Nar, H. | | 登録日 | 2023-01-16 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-03-29 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Anti-GARP Antibodies Inhibit Release of TGF-beta by Regulatory T Cells via Different Modes of Action, but Do Not Influence Their Function In Vitro.
Immunohorizons, 7, 2023
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7NM5
 | | Solution structure of MLKL executioner domain in complex with a fragment | | 分子名称: | 2-[(~{S})-methoxy-(4-phenylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid, Mixed lineage kinase domain-like protein | | 著者 | Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M. | | 登録日 | 2021-02-23 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain.
J.Med.Chem., 64, 2021
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7NM2
 | | Solution structure of MLKL executioner domain in complex with a fragment | | 分子名称: | 2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid, Mixed lineage kinase domain-like protein | | 著者 | Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M. | | 登録日 | 2021-02-23 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain.
J.Med.Chem., 64, 2021
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7NM4
 | | Solution structure of MLKL executioner domain in complex with a fragment | | 分子名称: | (~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol, Mixed lineage kinase domain-like protein | | 著者 | Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M. | | 登録日 | 2021-02-23 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain.
J.Med.Chem., 64, 2021
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