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PDB: 78 件

8RVE
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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
7TWA
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BU of 7twa by Molmil
Crystal structure of apo BesC from Streptomyces cattleya
分子名称: 1,3-BUTANEDIOL, 4-chloro-allylglycine synthase, ACETATE ION, ...
著者Neugebauer, M.E, McBride, M.J, Boal, A.K, Chang, M.C.Y.
登録日2022-02-07
公開日2022-04-13
最終更新日2022-04-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Substrate-Triggered mu-Peroxodiiron(III) Intermediate in the 4-Chloro-l-Lysine-Fragmenting Heme-Oxygenase-like Diiron Oxidase (HDO) BesC: Substrate Dissociation from, and C4 Targeting by, the Intermediate.
Biochemistry, 61, 2022
7U6I
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HalB with glycine and succinate
分子名称: GLYCEROL, GLYCINE, Halogenase B, ...
著者Neugebauer, M.E, Kissman, E.N, Chang, M.C.Y.
登録日2022-03-04
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Biocatalytic control of site-selectivity and chain length-selectivity in radical amino acid halogenases.
Proc.Natl.Acad.Sci.USA, 120, 2023
6NIE
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BesD with Fe(II), chloride, and alpha-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, BesD, lysine halogenase, ...
著者Neugebauer, M.E, Chang, M.C.Y.
登録日2018-12-27
公開日2019-10-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A family of radical halogenases for the engineering of amino-acid-based products.
Nat.Chem.Biol., 15, 2019
1YYH
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Crystal structure of the human Notch 1 ankyrin domain
分子名称: Notch 1, ankyrin domain
著者Ehebauer, M.T, Chirgadze, D.Y, Hayward, P, Martinez-Arias, A, Blundell, T.L.
登録日2005-02-25
公開日2005-08-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献High-resolution crystal structure of the human Notch 1 ankyrin domain
Biochem.J., 392, 2005
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
4AEL
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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
5G4N
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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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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
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
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
7NM5
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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
7NM4
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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
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
5AOJ
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BU of 5aoj by Molmil
Structure of the p53 cancer mutant Y220C in complex with 2-hydroxy-3, 5-diiodo-4-(1H-pyrrol-1-yl)benzoic acid
分子名称: 2-hydroxy-3,5-diiodo-4-(1H-pyrrol-1-yl)benzoic acid, CELLULAR TUMOR ANTIGEN P53, DI(HYDROXYETHYL)ETHER, ...
著者Joerger, A.C, Baud, M.G, Bauer, M.R, Fersht, A.R.
登録日2015-09-10
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
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
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
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
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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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
1JIZ
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BU of 1jiz by Molmil
Crystal Structure Analysis of human Macrophage Elastase MMP-12
分子名称: CALCIUM ION, N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE, ZINC ION, ...
著者Nar, H, Werle, K, Bauer, M.M.T, Dollinger, H, Jung, B.
登録日2001-07-03
公開日2002-07-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of human macrophage elastase (MMP-12) in complex with a hydroxamic acid inhibitor.
J.Mol.Biol., 312, 2001
5LAP
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BU of 5lap by Molmil
p53 cancer mutant Y220C with Cys182 alkylation
分子名称: 5-chloranylpyrimidine-4-carboxylic acid, Cellular tumor antigen p53, ZINC ION
著者Joerger, A.C, Bauer, M.R, Fersht, A.R.
登録日2016-06-14
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献2-Sulfonylpyrimidines: Mild alkylating agents with anticancer activity toward p53-compromised cells.
Proc.Natl.Acad.Sci.USA, 113, 2016
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
2VT2
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BU of 2vt2 by Molmil
Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, REDOX-SENSING TRANSCRIPTIONAL REPRESSOR REX
著者Wang, E, Bauer, M.C, Rogstam, A, Linse, S, Logan, D.T, von Wachenfeldt, C.
登録日2008-05-08
公開日2008-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex.
Mol. Microbiol., 69, 2008
2VT3
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Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, REDOX-SENSING TRANSCRIPTIONAL REPRESSOR REX
著者Wang, E, Bauer, M.C, Rogstam, A, Linse, S, Logan, D, von Wachenfeldt, C.
登録日2008-05-08
公開日2008-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex.
Mol. Microbiol., 69, 2008

 

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