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8RVE
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BU of 8rve by Molmil
Vimentin intermediate filament
分子名称: Vimentin
著者Eibauer, M, Medalia, O.
登録日2024-02-01
公開日2024-04-10
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (7.2 Å)
主引用文献Vimentin filaments integrate low-complexity domains in a complex helical structure.
Nat.Struct.Mol.Biol., 31, 2024
4GH7
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BU of 4gh7 by Molmil
Crystal structure of Anticalin N7A in complex with oncofetal fibronectin fragment Fn7B8
分子名称: Fibronectin, Neutrophil gelatinase-associated lipocalin
著者Schiefner, A, Gebauer, M, Skerra, A.
登録日2012-08-07
公開日2012-12-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Combinatorial design of an Anticalin directed against the extra-domain b for the specific targeting of oncofetal fibronectin
J.Mol.Biol., 425, 2013
4AEL
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BU of 4ael by Molmil
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
7NM5
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BU of 7nm5 by Molmil
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
7NM2
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BU of 7nm2 by Molmil
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
7NM4
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BU of 7nm4 by Molmil
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
6ZLE
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BU of 6zle by Molmil
Solution structure of unliganded MLKL executioner domain
分子名称: Mixed lineage kinase domain-like protein
著者Ruebbelke, M, Bauer, M, Nar, H, Zeeb, M.
登録日2020-06-30
公開日2020-12-16
最終更新日2024-06-19
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
6ZPR
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BU of 6zpr by Molmil
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
2MBK
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BU of 2mbk by Molmil
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
6ZVO
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BU of 6zvo by Molmil
Crystal structure of unliganded MLKL executioner domain
分子名称: BROMIDE ION, CHLORIDE ION, Mixed lineage kinase domain-like protein
著者Fiegen, D, Bauer, M, Nar, H.
登録日2020-07-27
公開日2020-12-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.371 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
6ZZ1
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BU of 6zz1 by Molmil
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
1PFX
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BU of 1pfx by Molmil
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
2YKL
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BU of 2ykl by Molmil
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
2YK1
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BU of 2yk1 by Molmil
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
1SMP
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BU of 1smp by Molmil
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
1DB2
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BU of 1db2 by Molmil
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
6EQC
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BU of 6eqc by Molmil
Cryo-EM reconstruction of a complex of a binding protein and human adenovirus C5 hexon
分子名称: Hexon protein, scFv of 9C12 antibody
著者Schmid, M, Ernst, P, Honegger, A, Suomalainen, M, Zimmermann, M, Braun, L, Stauffer, S, Thom, C, Dreier, B, Eibauer, M, Kipar, A, Vogel, V, Greber, U.F, Medalia, O, Plueckthun, A.
登録日2017-10-12
公開日2018-02-07
最終更新日2018-02-14
実験手法ELECTRON MICROSCOPY (7.4 Å)
主引用文献Adenoviral vector with shield and adapter increases tumor specificity and escapes liver and immune control.
Nat Commun, 9, 2018
5OGI
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BU of 5ogi by Molmil
Complex of a binding protein and human adenovirus C 5 hexon
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Schmid, M, Ernst, P, Honegger, A, Suomalainen, M, Zimmermann, M, Braun, L, Stauffer, S, Thom, C, Dreier, B, Eibauer, M, Kipar, A, Vogel, V, Greber, U.F, Medalia, O, Plueckthun, A.
登録日2017-07-13
公開日2018-02-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Adenoviral vector with shield and adapter increases tumor specificity and escapes liver and immune control.
Nat Commun, 9, 2018
5G4N
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BU of 5g4n by Molmil
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
5G4M
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BU of 5g4m by Molmil
Crystal structure of the p53 cancer mutant Y220C in complex with a monofluorinated derivative of the small molecule stabilizer Phikan083
分子名称: 1,2-ETHANEDIOL, 1-[9-(2-fluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine, CELLULAR TUMOR ANTIGEN P53, ...
著者Joerger, A.C, Bauer, M.
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 (1.38 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
5G4O
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BU of 5g4o by Molmil
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
1ETS
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BU of 1ets by Molmil
REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
分子名称: 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, EPSILON-THROMBIN
著者Bode, W, Brandstetter, H.
登録日1992-07-06
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics.
J.Mol.Biol., 226, 1992
7JJC
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BU of 7jjc by Molmil
Crystal structure of neuropilin-1 b1 domain in complex with SARS-CoV-2 S1 C-end rule (CendR) peptide
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Neuropilin-1, ...
著者Chen, K.-E, Collins, B.M.
登録日2020-07-25
公開日2020-10-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Neuropilin-1 is a host factor for SARS-CoV-2 infection.
Science, 370, 2020
7PCD
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BU of 7pcd by Molmil
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
7NBW
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BU of 7nbw by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with a pyridin agonist
分子名称: Transcriptional regulator MvfR, ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
著者Schmelz, S, Blankenfeldt, W.
登録日2021-01-28
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Divergent synthesis and biological evaluation of 2-(trifluoromethyl)pyridines as virulence-attenuating inverse agonists targeting PqsR.
Eur.J.Med.Chem., 226, 2021

 

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