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PDB: 26 件
1M7B
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BU of 1m7b by Molmil
Crystal structure of Rnd3/RhoE: functional implications
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Rnd3/RhoE small GTP-binding protein
著者Fiegen, D, Blumenstein, L, Stege, P, Vetter, I.R, Ahmadian, M.R.
登録日2002-07-19
公開日2002-08-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Rnd3/RhoE: functional implications
FEBS LETT., 525, 2002
6ZVO
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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
6ZZ1
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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
6TX4
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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
6TX9
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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
6TX7
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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
6TX8
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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
6TX5
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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
6TX6
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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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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
6H8S
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BU of 6h8s by Molmil
CRYSTAL STRUCTURE OF THE MOUSE PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND BI-0314
分子名称: 1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine, Tyrosine-protein phosphatase non-receptor type 5
著者Fiegen, D, Schnapp, G.
登録日2018-08-03
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.771 Å)
主引用文献Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule.
J. Med. Chem., 62, 2019
2ATX
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BU of 2atx by Molmil
Crystal Structure of the TC10 GppNHp complex
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, small GTP binding protein TC10
著者Hemsath, L, Dvorsky, R, Fiegen, D, Carlier, M.F, Ahmadian, M.R.
登録日2005-08-26
公開日2005-09-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献An electrostatic steering mechanism of Cdc42 recognition by Wiskott-Aldrich syndrome proteins
Mol.Cell, 20, 2005
5F2P
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Crystal structure of the BRD9 bromodomain in complex with compound 3.
分子名称: 2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one, BRD9
著者Nar, H, Fiegen, D, Zoephel, A, Bader, G.
登録日2015-12-02
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
1RYF
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BU of 1ryf by Molmil
Alternative Splicing of Rac1 Generates Rac1b, a Self-activating GTPase
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ras-related C3 botulinum toxin substrate 1 isoform Rac1b
著者Ahmadian, M.R, Fiegen, D.
登録日2003-12-22
公開日2004-01-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Alternative Splicing of Rac1 Generates Rac1b, a Self-activating GTPase
J.Biol.Chem., 279, 2004
1RYH
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BU of 1ryh by Molmil
Alternative Splicing of Rac1 Generates Rac1b, a Self-activating GTPase
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ras-related C3 botulinum toxin substrate 1 isoform Rac1b
著者Ahmadian, M.R, Fiegen, D.
登録日2003-12-22
公開日2004-01-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Alternative Splicing of Rac1 Generates Rac1b, a Self-activating GTPase
J.Biol.Chem., 279, 2004
6HL4
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BU of 6hl4 by Molmil
wild-type NuoEF from Aquifex aeolicus - reduced form
分子名称: CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-10
公開日2019-06-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HLI
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BU of 6hli by Molmil
wild-type NuoEF from Aquifex aeolicus - reduced form bound to NAD+
分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-11
公開日2019-06-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HLA
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BU of 6hla by Molmil
wild-type NuoEF from Aquifex aeolicus - reduced form bound to NADH
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-11
公開日2019-06-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HL2
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wild-type NuoEF from Aquifex aeolicus - oxidized form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-10
公開日2019-06-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HLJ
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Variant G129S of NuoEF from Aquifex aeolicus - oxidized from
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-11
公開日2019-06-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HL3
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wild-type NuoEF from Aquifex aeolicus - oxidized form bound to NAD+
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-10
公開日2019-06-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HLM
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BU of 6hlm by Molmil
Variant G129D of NuoEF from Aquifex aeolicus bound to NAD+
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-11
公開日2019-06-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6H8R
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BU of 6h8r by Molmil
CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND 2
分子名称: 3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5
著者Hoerer, S, Fiegen, D, Schnapp, G.
登録日2018-08-03
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule.
J. Med. Chem., 62, 2019
6TL9
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CRYSTAL STRUCTURE OF LECTIN-LIKE OX-LDL RECEPTOR 1 IN COMPLEX WITH BI-0115
分子名称: 9-chloranyl-5-propyl-11~{H}-pyrido[2,3-b][1,4]benzodiazepin-6-one, GLYCEROL, Oxidized low-density lipoprotein receptor 1
著者Nar, H, Fiegen, D, Schnapp, G.
登録日2019-12-02
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.734 Å)
主引用文献A small-molecule inhibitor of lectin-like oxidized LDL receptor-1 acts by stabilizing an inactive receptor tetramer state
Commun Chem, 2020
6TLA
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CRYSTAL STRUCTURE OF LECTIN-LIKE OX-LDL RECEPTOR 1 (C 1 2 1)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Oxidized low-density lipoprotein receptor 1
著者Nar, H, Fiegen, D, Schnapp, G.
登録日2019-12-02
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献A small-molecule inhibitor of lectin-like oxidized LDL receptor-1 acts by stabilizing an inactive receptor tetramer state
Commun Chem, 2020

 

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