2F52
 
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7NM5
 | | Solution structure of MLKL executioner domain in complex with a fragment | | Descriptor: | 2-[(~{S})-methoxy-(4-phenylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid, Mixed lineage kinase domain-like protein | | Authors: | Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M. | | Deposit date: | 2021-02-23 | | Release date: | 2021-09-22 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | 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 | | Descriptor: | 2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid, Mixed lineage kinase domain-like protein | | Authors: | Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M. | | Deposit date: | 2021-02-23 | | Release date: | 2021-09-22 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | 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 | | Descriptor: | (~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol, Mixed lineage kinase domain-like protein | | Authors: | Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M. | | Deposit date: | 2021-02-23 | | Release date: | 2021-09-22 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | 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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5U6H
 | | Solution structure of the zinc fingers 1 and 2 of MBNL1 | | Descriptor: | Muscleblind-like protein 1, ZINC ION | | Authors: | Phukan, P.D, Park, S, Martinez-Yamout, M.M, Zeeb, M, Dyson, H.J, Wright, P.E. | | Deposit date: | 2016-12-08 | | Release date: | 2017-08-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Basis for Interaction of the Tandem Zinc Finger Domains of Human Muscleblind with Cognate RNA from Human Cardiac Troponin T.
Biochemistry, 56, 2017
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5U9B
 | | Solution structure of the zinc fingers 1 and 2 of MBNL1 in complex with human cardiac troponin T pre-mRNA | | Descriptor: | Muscleblind-like protein 1, RNA (5'-R(P*GP*UP*CP*UP*CP*GP*CP*UP*UP*UP*UP*CP*CP*CP*C)-3'), ZINC ION | | Authors: | Phukan, P.D, Park, S, Martinez-Yamout, M.M, Zeeb, M, Dyson, H.J, Wright, P.E. | | Deposit date: | 2016-12-15 | | Release date: | 2017-08-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Basis for Interaction of the Tandem Zinc Finger Domains of Human Muscleblind with Cognate RNA from Human Cardiac Troponin T.
Biochemistry, 56, 2017
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5U6L
 | | Solution structure of the zinc fingers 3 and 4 of MBNL1 | | Descriptor: | Muscleblind-like protein 1, ZINC ION | | Authors: | Phukan, P.D, Park, S, Martinez-Yamout, M.M, Zeeb, M, Dyson, H.J, Wright, P.E. | | Deposit date: | 2016-12-08 | | Release date: | 2017-08-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Basis for Interaction of the Tandem Zinc Finger Domains of Human Muscleblind with Cognate RNA from Human Cardiac Troponin T.
Biochemistry, 56, 2017
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6ZLE
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6ZPR
 | | Solution structure of MLKL executioner domain in complex with a covalent inhibitor | | Descriptor: | 7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione, Mixed lineage kinase domain-like protein,Mixed lineage kinase domain-like protein | | Authors: | Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M. | | Deposit date: | 2020-07-09 | | Release date: | 2020-12-16 | | Last modified: | 2021-01-06 | | Method: | SOLUTION NMR | | Cite: | 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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4G6M
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4G6K
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3FT7
 | | Crystal structure of an extremely stable dimeric protein from sulfolobus islandicus | | Descriptor: | GLYCEROL, Uncharacterized protein ORF56 | | Authors: | Neumann, P, Loew, C, Weininger, U, Stubbs, M.T. | | Deposit date: | 2009-01-12 | | Release date: | 2009-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Stability Analysis of an Extremely Stable Dimeric DNA Binding Protein from Sulfolobus islandicus
Biochemistry, 48, 2009
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6H8R
 | | CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND 2 | | Descriptor: | 3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | | Authors: | Hoerer, S, Fiegen, D, Schnapp, G. | | Deposit date: | 2018-08-03 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule.
J. Med. Chem., 62, 2019
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4EOW
 | | Crystal structure of a disease-associated anti-human GM-CSF autoantibody MB007 | | Descriptor: | MB007 IgG1 Fab fragment light chain, MB007 human IgG1 Fab fragment heavy chain | | Authors: | Blech, M. | | Deposit date: | 2012-04-16 | | Release date: | 2012-08-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Molecular structure of human GM-CSF in complex with a disease-associated anti-human GM-CSF autoantibody and its potential biological implications.
Biochem.J., 447, 2012
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4G6J
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4G5Z
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7AFW
 | | Beta-Catenin in complex with compound 6 | | Descriptor: | 3-[(2~{R})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile, Catenin beta-1 | | Authors: | Boettcher, J, Kessler, D. | | Deposit date: | 2020-09-21 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.814 Å) | | Cite: | Getting a Grip on the Undrugged: Targeting beta-Catenin with Fragment-Based Methods.
Chemmedchem, 16, 2021
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2ES2
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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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5F25
 | | Crystal structure of the BRD9 bromodomain in complex with compound 4. | | Descriptor: | 4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide, BRD9 | | Authors: | Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | | Deposit date: | 2015-12-01 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
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5F1H
 | | Crystal structure of the BRD9 bromodamian in complex with BI-9564. | | Descriptor: | 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 9 | | Authors: | Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | | Deposit date: | 2015-11-30 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
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5F1L
 | | Crystal structure of the bromodomain of BRD9 in complex with compound 9. | | Descriptor: | 5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 9 | | Authors: | Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | | Deposit date: | 2015-11-30 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
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5EU1
 | | CRYSTAL STRUCTURE OF BRD9 IN COMPLEX WITH BI-7273 | | Descriptor: | 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, BRD9 | | Authors: | Bader, G, Martin, L.M, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | | Deposit date: | 2015-11-18 | | Release date: | 2016-03-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
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7AL9
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7ALA
 | | human GCH-GFRP inhibitory complex | | Descriptor: | 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one, GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, ... | | Authors: | Ebenhoch, R, Nar, H. | | Deposit date: | 2020-10-06 | | Release date: | 2021-10-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.846 Å) | | Cite: | A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
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