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PDB: 92 件
1H7W
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Dihydropyrimidine dehydrogenase (DPD) from pig
分子名称: DIHYDROPYRIMIDINE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Dobritzsch, D, Schneider, G, Schnackerz, K.D, Lindqvist, Y.
登録日2001-01-19
公開日2001-02-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of dihydropyrimidine dehydrogenase, a major determinant of the pharmacokinetics of the anti-cancer drug 5-fluorouracil.
EMBO J., 20, 2001
4C5Z
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Crystal structure of A. niger ochratoxinase
分子名称: OCHRATOXINASE
著者Dobritzsch, D, Wang, H, Schneider, G, Yu, S.
登録日2013-09-17
公開日2014-07-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and Functional Characterization of Ochratoxinase, a Novel Mycotoxin Degrading Enzyme.
Biochem.J., 462, 2014
4C65
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Crystal structure of A. niger ochratoxinase
分子名称: OCHRATOXINASE
著者Dobritzsch, D, Wang, H, Schneider, G, Yu, S.
登録日2013-09-17
公開日2014-07-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Functional Characterization of Ochratoxinase, a Novel Mycotoxin Degrading Enzyme.
Biochem.J., 462, 2014
4C60
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Crystal structure of A. niger ochratoxinase
分子名称: OCHRATOXINASE
著者Dobritzsch, D, Wang, H, Schneider, G, Yu, S.
登録日2013-09-17
公開日2014-07-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and Functional Characterization of Ochratoxinase, a Novel Mycotoxin Degrading Enzyme.
Biochem.J., 462, 2014
4C5Y
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Crystal structure of A. niger ochratoxinase
分子名称: OCHRATOXINASE, ZINC ION
著者Dobritzsch, D, Wang, H, Schneider, G, Yu, S.
登録日2013-09-17
公開日2014-07-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and Functional Characterization of Ochratoxinase, a Novel Mycotoxin Degrading Enzyme.
Biochem.J., 462, 2014
5OD8
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Crystal structure of the RA-associated mAb B2 (Fab fragment)
分子名称: B2 Fab fragment - Light chain, B2 Fab fragment - heavy chain
著者Dobritzsch, D, Ge, C, Holmdahl, R, Amara, K, Malmstrom, V.
登録日2017-07-05
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of Cross-Reactivity of Anti-Citrullinated Protein Antibodies.
Arthritis Rheumatol, 71, 2019
5OCX
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BU of 5ocx by Molmil
Crystal structure of ACPA E4 in complex with CII-C-13-CIT
分子名称: 1,2-ETHANEDIOL, CII-C-13-CIT, Fab fragment anti-citrullinated protein antibody E4 - light chain, ...
著者Dobritzsch, D, Ge, C, Holmdahl, R.
登録日2017-07-04
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis of Cross-Reactivity of Anti-Citrullinated Protein Antibodies.
Arthritis Rheumatol, 71, 2019
5ODB
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Crystal structure of the RA-associated mAb D10 (chimeric Fab fragment)
分子名称: D10 Fab fragment - heavy chain, D10 Fab fragment - light chain, GLYCEROL, ...
著者Dobritzsch, D, Ge, C, Holmdahl, R, Amara, K, Malmstrom, V.
登録日2017-07-05
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural Basis of Cross-Reactivity of Anti-Citrullinated Protein Antibodies.
Arthritis Rheumatol, 71, 2019
5OD0
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BU of 5od0 by Molmil
Crystal structure of ACPA E4
分子名称: Fab fragment of ACPA E4 - Light chain, Fab fragment of ACPA E4 - heavy chain, GLYCEROL
著者Dobritzsch, D, Ge, C, Holmdahl, R.
登録日2017-07-04
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis of Cross-Reactivity of Anti-Citrullinated Protein Antibodies.
Arthritis Rheumatol, 71, 2019
5OCY
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Crystal structure of ACPA E4 in complex with CII-C-48-CIT
分子名称: ACPA E4 Fab fragment - heavy chain, ACPA E4 Fab fragment - light chain, CII-C-48-CIT
著者Dobritzsch, D, Ge, C, Holmdahl, R.
登録日2017-07-04
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis of Cross-Reactivity of Anti-Citrullinated Protein Antibodies.
Arthritis Rheumatol, 71, 2019
5OCK
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Crystal structure of ACPA E4 in complex with CEP1
分子名称: CEP1 peptide (from enolase), Human ACPA E4 Fab fragment - Heavy chain, Human ACPA E4 Fab fragment - Light chain
著者Dobritzsch, D, Ge, C, Holmdahl, R.
登録日2017-07-03
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Basis of Cross-Reactivity of Anti-Citrullinated Protein Antibodies.
Arthritis Rheumatol, 71, 2019
6QUL
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Structure of a bacterial 50S ribosomal subunit in complex with the novel quinoxolidinone antibiotic cadazolid
分子名称: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Scaiola, A, Leibundgut, M, Boehringer, D, Ritz, D.
登録日2019-02-27
公開日2019-04-10
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of translation inhibition by cadazolid, a novel quinoxolidinone antibiotic.
Sci Rep, 9, 2019
5MMP
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BU of 5mmp by Molmil
E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)-isoquinolin-3-yl]-urea
分子名称: 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea, DNA gyrase subunit B
著者Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G.
登録日2016-12-12
公開日2017-04-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.
J. Med. Chem., 60, 2017
5MMN
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E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[8-methyl-5-(2-methyl-pyridin-4-yl)-isoquinolin-3-yl]-urea
分子名称: 1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea, DNA gyrase subunit B
著者Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G.
登録日2016-12-12
公開日2017-04-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.
J. Med. Chem., 60, 2017
5MMO
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E. coli DNA Gyrase B 24 kDa ATPase domain in complex with [3-(3-ethyl-ureido)-5-(pyridin-4-yl)-isoquinolin-8-yl-methyl]-carbamic acid prop-2-ynyl ester
分子名称: DNA gyrase subunit B, PHOSPHATE ION, prop-2-ynyl ~{N}-[[3-(ethylcarbamoylamino)-5-pyridin-4-yl-isoquinolin-8-yl]methyl]carbamate
著者Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G.
登録日2016-12-12
公開日2017-04-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.
J. Med. Chem., 60, 2017
6I4A
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Structure of P. aeruginosa LpxC with compound 18d: (2R)-N-Hydroxy-4-(6-((1-(hydroxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-2-methyl-2-(methylsulfonyl)butanamide
分子名称: (2~{R})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G.
登録日2018-11-09
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
6I46
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Structure of P. aeruginosa LpxC with compound 8: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-2-oxooxazol-3(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
分子名称: (2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, GLYCEROL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
著者Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G.
登録日2018-11-09
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
6I48
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Structure of P. aeruginosa LpxC with compound 12: (2R)-4-(6-(2-Fluoro-4-methoxyphenyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
分子名称: (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, 1,2-ETHANEDIOL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
著者Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G.
登録日2018-11-09
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
6I47
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Structure of P. aeruginosa LpxC with compound 10: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-1-oxoisoindolin-2-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
分子名称: (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, (2~{S})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
著者Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G.
登録日2018-11-09
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
6I49
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Structure of P. aeruginosa LpxC with compound 17a: (2R)-N-Hydroxy-2-methyl-2-(methylsulfonyl)-4(6((4(morpholinomethyl)phenyl)ethynyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)yl)butanamide
分子名称: (2~{R})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G.
登録日2018-11-09
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
2VHI
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BU of 2vhi by Molmil
Crystal structure of a pyrimidine degrading enzyme from Drosophila melanogaster
分子名称: CG3027-PA
著者Lundgren, S, Lohkamp, B, Andersen, B, Piskur, J, Dobritzsch, D.
登録日2007-11-21
公開日2008-03-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The Crystal Structure of Beta-Alanine Synthase from Drosophila Melanogaster Reveals a Homooctameric Helical Turn-Like Assembly.
J.Mol.Biol., 377, 2008
7ZX4
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BU of 7zx4 by Molmil
Clathrin N-terminal domain in complex with a HURP phospho-peptide
分子名称: CHLORIDE ION, Clathrin heavy chain 1, Disks large-associated protein 5, ...
著者Kliche, J, Badgujar, D, Dobritzsch, D, Ivarsson, Y.
登録日2022-05-20
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Large-scale phosphomimetic screening identifies phospho-modulated motif-based protein interactions.
Mol.Syst.Biol., 19, 2023
6YUH
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BU of 6yuh by Molmil
Crystal structure of SMYD3 with diperodon R enantiomer bound to allosteric site
分子名称: Diperodon, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
著者Cederfelt, D, Talibov, V.O, Dobritzsch, D, Danielson, U.H.
登録日2020-04-27
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase.
Chembiochem, 22, 2021
8PT4
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beta-Ureidopropionase tetramer
分子名称: Beta-ureidopropionase
著者Cederfelt, D, Dobritzsch, D.
登録日2023-07-13
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献The Allosteric Regulation of Beta-Ureidopropionase Depends on Fine-Tuned Stability of Active-Site Loops and Subunit Interfaces.
Biomolecules, 13, 2023
7BJ1
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Crystal structure of SMYD3 with diperodon S enantiomer bound to allosteric site
分子名称: ACETATE ION, Diperodon (S-enantiomer), GLYCEROL, ...
著者Talibov, V.O, Cederfelt, D, Dobritzsch, D, Danielson, U.H.
登録日2021-01-13
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase
Chembiochem, 22, 2021

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