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BU of 4un2 by Molmil

Crystal structure of the UBA domain of Dsk2 in complex with Ubiquitin
分子名称:	UBIQUITIN, UBIQUITIN DOMAIN-CONTAINING PROTEIN DSK2
著者	Michielssens, S, Peters, J.H, Ban, D, Pratihar, S, Seeliger, D, Sharma, M, Giller, K, Sabo, T.M, Becker, S, Lee, D, Griesinger, C, de Groot, B.L.
登録日	2014-05-23
公開日	2014-08-27
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.51 Å)
主引用文献	A Designed Conformational Shift to Control Protein Binding Specificity. Angew.Chem.Int.Ed.Engl., 53, 2014

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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	2025-04-09
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

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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	2025-04-09
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

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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	2024-10-09
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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BU of 6tx4 by Molmil

CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PYRIDONE
分子名称:	1~{H}-pyridin-2-one, CHLORIDE ION, 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 (1.06 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

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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

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BU of 6tx7 by Molmil

CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PIPERIDONE
分子名称:	CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION, ...
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 (1.13 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

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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

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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

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BU of 6tx5 by Molmil

CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 4-METHYLIMIDAZOLE
分子名称:	4-METHYLIMIDAZOLE, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION
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 (1.08 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

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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

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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	2024-11-20
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

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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	2024-11-13
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

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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	2024-11-06
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

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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	2024-10-23
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

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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	2024-10-16
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

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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	2024-10-16
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

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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	2024-10-23
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

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