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6TX9
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BU of 6tx9 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH HYDANTOIN
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION, imidazolidine-2,4-dione
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TX8
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BU of 6tx8 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH IMIDAZOLE
分子名称: CHLORIDE ION, IMIDAZOLE, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TX6
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BU of 6tx6 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH NICOTINAMIDE
分子名称: CHLORIDE ION, NICOTINAMIDE, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TXX
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BU of 6txx by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH SAFit2
分子名称: (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Fiegen, D, Draxler, S.W.
登録日2020-01-14
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
4YHM
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BU of 4yhm by Molmil
Reversal Agent for Dabigatran
分子名称: N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, aDabi-Fab2b heavy chain, aDabi-Fab2b light chain
著者Schiele, F, Nar, H.
登録日2015-02-27
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure-guided residence time optimization of a dabigatran reversal agent.
Mabs, 7, 2015
4YHI
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BU of 4yhi by Molmil
Reversal Agent for Dabigatran
分子名称: N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, aDabi-Fab2a heavy chain, aDabi-Fab2a light chain
著者Schiele, F, Nar, H.
登録日2015-02-27
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided residence time optimization of a dabigatran reversal agent.
Mabs, 7, 2015
4YHN
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BU of 4yhn by Molmil
Dabigatran Reversal Agent
分子名称: aDabi-Fab3 heavy chain, aDabi-Fab3 light chain
著者Schiele, F, Nar, H.
登録日2015-02-27
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structure-guided residence time optimization of a dabigatran reversal agent.
Mabs, 7, 2015
4YHL
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BU of 4yhl by Molmil
Reversal Agent for Dabigatran
分子名称: aDabi-Fab2b heavy chain, aDabi-Fab2b light chain
著者Schiele, F, Nar, H.
登録日2015-02-27
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure-guided residence time optimization of a dabigatran reversal agent.
Mabs, 7, 2015
4YGV
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BU of 4ygv by Molmil
Reversal Agent for Dabigatran
分子名称: GLYCEROL, aDabi-Fab2a heavy chain, aDabi-Fab2a light chain
著者Schiele, F, Nar, H.
登録日2015-02-26
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure-guided residence time optimization of a dabigatran reversal agent.
Mabs, 7, 2015
2WFJ
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BU of 2wfj by Molmil
Atomic resolution crystal structure of the PPIase domain of human cyclophilin G in complex with cyclosporin A.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CYCLOSPORIN A, ...
著者Stegmann, C.M, Sheldrick, G.M, Wahl, M.C.
登録日2009-04-06
公開日2009-06-16
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (0.75 Å)
主引用文献The Thermodynamic Influence of Trapped Water Molecules on a Protein-Ligand Interaction.
Angew.Chem.Int.Ed.Engl., 48, 2009
4YHO
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BU of 4yho by Molmil
Reversal Agent for Dabigatran
分子名称: N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, aDabi-Fab3 heavy chain, aDabi-Fab3 light chain
著者Schiele, F, Nar, H.
登録日2015-02-27
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure-guided residence time optimization of a dabigatran reversal agent.
Mabs, 7, 2015
4YHK
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BU of 4yhk by Molmil
Reversal Agent for Dabigatran
分子名称: GLYCEROL, N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, aDabi-Fab2a heavy chain, ...
著者Schiele, F, Nar, H.
登録日2015-02-27
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure-guided residence time optimization of a dabigatran reversal agent.
Mabs, 7, 2015
2WFI
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BU of 2wfi by Molmil
Atomic resolution crystal structure of the PPIase domain of human cyclophilin G
分子名称: MAGNESIUM ION, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE G
著者Stegmann, C.M, Sheldrick, G.M, Wahl, M.C.
登録日2009-04-06
公開日2009-06-16
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (0.75 Å)
主引用文献The Thermodynamic Influence of Trapped Water Molecules on a Protein-Ligand Interaction
Angew.Chem.Int.Ed.Engl., 48, 2009
4EOW
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BU of 4eow by Molmil
Crystal structure of a disease-associated anti-human GM-CSF autoantibody MB007
分子名称: MB007 IgG1 Fab fragment light chain, MB007 human IgG1 Fab fragment heavy chain
著者Blech, M.
登録日2012-04-16
公開日2012-08-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献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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