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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
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION, imidazolidine-2,4-dione
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite: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
Descriptor: CHLORIDE ION, IMIDAZOLE, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
Descriptor: CHLORIDE ION, NICOTINAMIDE, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.98 Å)
Cite: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
Descriptor: (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
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-14
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 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
Authors:Schiele, F, Nar, H.
Deposit date:2015-02-27
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.16 Å)
Cite: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
Descriptor: 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
Authors:Schiele, F, Nar, H.
Deposit date:2015-02-27
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: aDabi-Fab3 heavy chain, aDabi-Fab3 light chain
Authors:Schiele, F, Nar, H.
Deposit date:2015-02-27
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.31 Å)
Cite: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
Descriptor: aDabi-Fab2b heavy chain, aDabi-Fab2b light chain
Authors:Schiele, F, Nar, H.
Deposit date:2015-02-27
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite: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
Descriptor: GLYCEROL, aDabi-Fab2a heavy chain, aDabi-Fab2a light chain
Authors:Schiele, F, Nar, H.
Deposit date:2015-02-26
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite: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.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CYCLOSPORIN A, ...
Authors:Stegmann, C.M, Sheldrick, G.M, Wahl, M.C.
Deposit date:2009-04-06
Release date:2009-06-16
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (0.75 Å)
Cite: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
Descriptor: 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
Authors:Schiele, F, Nar, H.
Deposit date:2015-02-27
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite: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
Descriptor: GLYCEROL, N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, aDabi-Fab2a heavy chain, ...
Authors:Schiele, F, Nar, H.
Deposit date:2015-02-27
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.21 Å)
Cite: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
Descriptor: MAGNESIUM ION, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE G
Authors:Stegmann, C.M, Sheldrick, G.M, Wahl, M.C.
Deposit date:2009-04-06
Release date:2009-06-16
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (0.75 Å)
Cite: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
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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