4AEL
 
 | | PDE10A in complex with the inhibitor AZ5 | | 分子名称: | 2-(2'-ETHOXYBIPHENYL-4-YL)-4-HYDROXY-1,6-NAPHTHYRIDINE-3-CARBONITRILE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | | 著者 | Bauer, U, Giordanetto, F, Bauer, M, OMahony, G, Johansson, K.E, Knecht, W, Hartleib-Geschwindner, J, Toppner Carlsson, E, Enroth, C, Sjogren, T. | | 登録日 | 2012-01-11 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of 4-Hydroxy-1,6-Naphthyridine-3-Carbonitrile Derivatives as Novel Pde10A Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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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 | 2023-06-14 | | 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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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 | 2023-06-14 | | 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 | 2023-06-14 | | 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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6ZLE
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6ZPR
 | | Solution structure of MLKL executioner domain in complex with a covalent inhibitor | | 分子名称: | 7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione, Mixed lineage kinase domain-like protein,Mixed lineage kinase domain-like protein | | 著者 | Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M. | | 登録日 | 2020-07-09 | | 公開日 | 2020-12-16 | | 最終更新日 | 2021-01-06 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Locking mixed-lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6ZVO
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6ZZ1
 | | Crystal structure of MLKL executioner domain in complex with a covalent inhibitor | | 分子名称: | 7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione, Mixed lineage kinase domain-like protein | | 著者 | Fiegen, D, Bauer, M, Nar, H. | | 登録日 | 2020-08-03 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Locking mixed-lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis.
Proc.Natl.Acad.Sci.USA, 117, 2020
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2YKL
 | | Structure of human anti-nicotine Fab fragment in complex with nicotine-11-yl-methyl-(4-ethylamino-4-oxo)-butanoate | | 分子名称: | FAB FRAGMENT, HEAVY CHAIN, LIGHT CHAIN, ... | | 著者 | Tars, K, Kotelovica, S, Lipowsky, G, Bauer, M, Beerli, R, Bachmann, M, Maurer, P. | | 登録日 | 2011-05-27 | | 公開日 | 2011-11-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Different Binding Modes of Free and Carrier-Protein-Coupled Nicotine in a Human Monoclonal Antibody.
J.Mol.Biol., 415, 2012
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2YK1
 | | Structure of human anti-nicotine Fab fragment in complex with nicotine | | 分子名称: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, FAB FRAGMENT, HEAVY CHAIN, ... | | 著者 | Tars, K, Kotelovica, S, Lipowsky, G, Bauer, M, Beerli, R, Bachmann, M, Maurer, P. | | 登録日 | 2011-05-25 | | 公開日 | 2011-11-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Different Binding Modes of Free and Carrier-Protein-Coupled Nicotine in a Human Monoclonal Antibody.
J.Mol.Biol., 415, 2012
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2MBK
 | | The Clip-segment of the von Willebrand domain 1 of the BMP modulator protein Crossveinless 2 is preformed | | 分子名称: | Crossveinless 2 | | 著者 | Mueller, T.D, Fiebig, J.E, Weidauer, S.E, Qiu, L, Bauer, M, Schmieder, P, Beerbaum, M, Zhang, J, Oschkinat, H, Sebald, W. | | 登録日 | 2013-08-02 | | 公開日 | 2013-10-16 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Clip-Segment of the von Willebrand Domain 1 of the BMP Modulator Protein Crossveinless 2 Is Preformed.
Molecules, 18, 2013
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1PFX
 | | PORCINE FACTOR IXA | | 分子名称: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, FACTOR IXA | | 著者 | Brandstetter, H, Bauer, M, Huber, R, Lollar, P, Bode, W. | | 登録日 | 1995-07-19 | | 公開日 | 1996-08-17 | | 最終更新日 | 2013-02-27 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | 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
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1SMP
 | | CRYSTAL STRUCTURE OF A COMPLEX BETWEEN SERRATIA MARCESCENS METALLO-PROTEASE AND AN INHIBITOR FROM ERWINIA CHRYSANTHEMI | | 分子名称: | CALCIUM ION, ERWINIA CHRYSANTHEMI INHIBITOR, SERRATIA METALLO PROTEINASE, ... | | 著者 | Baumann, U, Bauer, M, Letoffe, S, Delepelaire, P, Wandersman, C. | | 登録日 | 1995-01-13 | | 公開日 | 1996-04-03 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of a complex between Serratia marcescens metallo-protease and an inhibitor from Erwinia chrysanthemi.
J.Mol.Biol., 248, 1995
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1DB2
 | | CRYSTAL STRUCTURE OF NATIVE PLASMINOGEN ACTIVATOR INHIBITOR-1 | | 分子名称: | PLASMINOGEN ACTIVATOR INHIBITOR-1 | | 著者 | Nar, H, Bauer, M, Stassen, J.M, Lang, D, Gils, A, Declerck, P. | | 登録日 | 1999-11-02 | | 公開日 | 1999-11-10 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Plasminogen activator inhibitor 1. Structure of the native serpin, comparison to its other conformers and implications for serpin inactivation.
J.Mol.Biol., 297, 2000
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5G4O
 | | Crystal structure of the p53 cancer mutant Y220C in complex with a trifluorinated derivative of the small molecule stabilizer Phikan083 | | 分子名称: | CELLULAR TUMOR ANTIGEN P53, N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine, ZINC ION | | 著者 | Joerger, A.C, Bauer, M, Baud, M.G.J, Spencer, J. | | 登録日 | 2016-05-13 | | 公開日 | 2016-06-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Acs Chem.Biol., 11, 2016
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7ALA
 | | human GCH-GFRP inhibitory complex | | 分子名称: | 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one, GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, ... | | 著者 | Ebenhoch, R, Nar, H. | | 登録日 | 2020-10-06 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.846 Å) | | 主引用文献 | A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7ALC
 | | human GCH-GFRP stimulatory complex | | 分子名称: | GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, PHENYLALANINE, ... | | 著者 | Ebenhoch, R, Nar, H. | | 登録日 | 2020-10-06 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.726 Å) | | 主引用文献 | A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7AL9
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7ALB
 | | human GCH-GFRP stimulatory complex 7-deaza-GTP bound | | 分子名称: | 7-deaza-GTP, GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, ... | | 著者 | Ebenhoch, R, Nar, H. | | 登録日 | 2020-10-06 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.979 Å) | | 主引用文献 | A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5G4N
 | | Crystal structure of the p53 cancer mutant Y220C in complex with a difluorinated derivative of the small molecule stabilizer Phikan083 | | 分子名称: | 1-[9-(2,2-difluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine, CELLULAR TUMOR ANTIGEN P53, GLYCEROL, ... | | 著者 | Joerger, A.C, Bauer, M, Jones, R.N, Spencer, J. | | 登録日 | 2016-05-13 | | 公開日 | 2016-06-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Acs Chem.Biol., 11, 2016
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5G4M
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7PCD
 | | HER2 IN COMPLEX WITH A COVALENT INHIBITOR | | 分子名称: | 1-[4-[4-[[3,5-bis(chloranyl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]amino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]-4-(3-fluoranylazetidin-1-yl)butan-1-one, Receptor tyrosine-protein kinase erbB-2 | | 著者 | Bader, G. | | 登録日 | 2021-08-03 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Discovery of potent and selective HER2 inhibitors with efficacy against HER2 exon 20 insertion-driven tumors, which preserve wild-type EGFR signaling.
Nat Cancer, 3, 2022
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1A5I
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1A5H
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1BDA
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