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6YDX
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BU of 6ydx by Molmil
Insulin-regulated aminopeptidase complexed with a macrocyclic peptidic inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mpakali, A, Saridakis, E, Giastas, P, Stratikos, E.
登録日2020-03-21
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural Basis of Inhibition of Insulin-Regulated Aminopeptidase by a Macrocyclic Peptidic Inhibitor.
Acs Med.Chem.Lett., 11, 2020
5MJ6
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BU of 5mj6 by Molmil
Ligand-induced conformational change of Insulin-regulated aminopeptidase: insights on catalytic mechanism and active site plasticity.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ...
著者Mpakali, A, Stratikos, E, Saridakis, E, Giastas, P.
登録日2016-11-30
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Ligand-Induced Conformational Change of Insulin-Regulated Aminopeptidase: Insights on Catalytic Mechanism and Active Site Plasticity.
J. Med. Chem., 60, 2017
7ZYF
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BU of 7zyf by Molmil
Insulin regulated aminopeptidase (IRAP) in complex with a nanomolar alpha hydroxy beta amino acid based inhibitor.
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mpakali, A, Stratikos, E, Giastas, P, Papakyriakou, A.
登録日2022-05-24
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Discovery of Selective Nanomolar Inhibitors for Insulin-Regulated Aminopeptidase Based on alpha-Hydroxy-beta-amino Acid Derivatives of Bestatin.
J.Med.Chem., 65, 2022
5J6S
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BU of 5j6s by Molmil
Crystal structure of Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) in complex with a hydroxamic derivative ligand
分子名称: (2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Saridakis, E, Giastas, P, Mpakali, A, Deprez-Poulain, R, Stratikos, E.
登録日2016-04-05
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency.
ACS Med Chem Lett, 8, 2017
5K1V
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BU of 5k1v by Molmil
Crystal structure of Endoplasmic Reticulum aminopeptidase 2 (ERAP2) in complex with a diaminobenzoic acid derivative ligand.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 2, ...
著者Saridakis, E, Papakyriakou, A, Giastas, P, Mpakali, A, Mavridis, I.M, Stratikos, E.
登録日2016-05-18
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.897 Å)
主引用文献Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency.
ACS Med Chem Lett, 8, 2017
6TVL
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BU of 6tvl by Molmil
Hen Egg White Lysozyme in complex with a "half sandwich"-type Ru(II) coordination compound
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A.
登録日2020-01-10
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.395 Å)
主引用文献High-resolution crystal structures of a "half sandwich"-type Ru(II) coordination compound bound to hen egg-white lysozyme and proteinase K.
J.Biol.Inorg.Chem., 25, 2020
6TXG
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BU of 6txg by Molmil
Proteinase K in complex with a "half sandwich"-type Ru(II) coordination compound
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, NITRATE ION, ...
著者Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A.
登録日2020-01-14
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.372 Å)
主引用文献High-resolution crystal structures of a "half sandwich"-type Ru(II) coordination compound bound to hen egg-white lysozyme and proteinase K.
J.Biol.Inorg.Chem., 25, 2020
5AB2
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BU of 5ab2 by Molmil
Crystal structure of aminopeptidase ERAP2 with ligand
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mpakali, A, Giastas, P, Saridakis, E, Mavridis, I.M, Stratikos, E.
登録日2015-07-31
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.729 Å)
主引用文献Structural Basis for Antigenic Peptide Recognition and Processing by Endoplasmic Reticulum (Er) Aminopeptidase 2.
J.Biol.Chem., 290, 2015
5AB0
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BU of 5ab0 by Molmil
Crystal structure of aminopeptidase ERAP2 with ligand
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mpakali, A, Giastas, P, Saridakis, E, Stratikos, E.
登録日2015-07-31
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Antigenic Peptide Recognition and Processing by Endoplasmic Reticulum (Er) Aminopeptidase 2.
J.Biol.Chem., 290, 2015
8CGP
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BU of 8cgp by Molmil
Insulin regulated aminopeptidase (IRAP) in complex with an allosteric aryl sulfonamide inhibitor
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mpakali, A, Stratikos, E, Giastas, P.
登録日2023-02-06
公開日2024-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Mechanisms of Allosteric Inhibition of Insulin-Regulated Aminopeptidase.
J.Mol.Biol., 436, 2024
8CGW
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BU of 8cgw by Molmil
Insulin-regulated aminopeptidase (IRAP) in complex with an allosteric benzopyran-based inhibitor
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mpakali, A, Stratikos, E, Giastas, P.
登録日2023-02-06
公開日2024-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Mechanisms of Allosteric Inhibition of Insulin-Regulated Aminopeptidase.
J.Mol.Biol., 436, 2024
7NUP
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BU of 7nup by Molmil
Endoplasmic reticulum aminopeptidase 2 complexed with a mixed hydroxamic and sulfonyl ligand
分子名称: (3~{S})-4-(4-hydroxyphenyl)-~{N}-oxidanyl-3-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]butanamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mpakali, A, Giastas, P, Stratikos, E.
登録日2021-03-12
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Endoplasmic reticulum aminopeptidase 2 complexed with a mixed hydroxamic and sulfonyl ligand
To Be Published
7NSK
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BU of 7nsk by Molmil
Endoplasmic reticulum aminopeptidase 2 complexed with a hydroxamic ligand
分子名称: (2~{S})-3-(4-hydroxyphenyl)-~{N}-oxidanyl-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]propanamide, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, ...
著者Mpakali, A, Giastas, P, Stratikos, E.
登録日2021-03-08
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Endoplasmic reticulum aminopeptidase 2 in complex with a phosphinic ligand
To Be Published
7BCX
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BU of 7bcx by Molmil
The adduct of NAMI-A with Hen Egg White Lysozyme at 8 hours.
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, IMIDAZOLE, ...
著者Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A.
登録日2020-12-21
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Insights into the Protein Ruthenation Mechanism by Antimetastatic Metallodrugs: High-Resolution X-ray Structures of the Adduct Formed between Hen Egg-White Lysozyme and NAMI-A at Various Time Points.
Inorg.Chem., 60, 2021
7BDM
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BU of 7bdm by Molmil
The adduct of NAMI-A with Hen Egg White Lysozyme at 98 hours.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ...
著者Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A.
登録日2020-12-22
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Insights into the Protein Ruthenation Mechanism by Antimetastatic Metallodrugs: High-Resolution X-ray Structures of the Adduct Formed between Hen Egg-White Lysozyme and NAMI-A at Various Time Points.
Inorg.Chem., 60, 2021
7BD0
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BU of 7bd0 by Molmil
The adduct of NAMI-A with Hen Egg White Lysozyme at 26 hours.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, IMIDAZOLE, ...
著者Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A.
登録日2020-12-21
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Insights into the Protein Ruthenation Mechanism by Antimetastatic Metallodrugs: High-Resolution X-ray Structures of the Adduct Formed between Hen Egg-White Lysozyme and NAMI-A at Various Time Points.
Inorg.Chem., 60, 2021
7BCU
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BU of 7bcu by Molmil
The adduct of NAMI-A with Hen Egg White Lysozyme at 1.5 hours.
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, IMIDAZOLE, ...
著者Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A.
登録日2020-12-21
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Insights into the Protein Ruthenation Mechanism by Antimetastatic Metallodrugs: High-Resolution X-ray Structures of the Adduct Formed between Hen Egg-White Lysozyme and NAMI-A at Various Time Points.
Inorg.Chem., 60, 2021
3EUN
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BU of 3eun by Molmil
Crystal structure of the 2[4Fe-4S] C57A ferredoxin variant from allochromatium vinosum
分子名称: Ferredoxin, IRON/SULFUR CLUSTER
著者Saridakis, E, Mavridis, I.M.
登録日2008-10-10
公開日2009-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Insight into the protein and solvent contributions to the reduction potentials of [4Fe-4S]2+/+ clusters: crystal structures of the Allochromatium vinosum ferredoxin variants C57A and V13G and the homologous Escherichia coli ferredoxin.
J.Biol.Inorg.Chem., 14, 2009
7SH0
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BU of 7sh0 by Molmil
CRYSTAL STRUCTURE OF ENDOPLASMIC RETICULUM AMINOPEPTIDASE 2 (ERAP2) COMPLEX WITH A HIGHLY SELECTIVE AND POTENT SMALL MOLECULE
分子名称: (2S)-N-hydroxy-3-(4-methoxyphenyl)-2-[4-({[5-(pyridin-2-yl)thiophene-2-sulfonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Li, L, Bouvier, M.
登録日2021-10-07
公開日2022-07-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Discovery of the First Selective Nanomolar Inhibitors of ERAP2 by Kinetic Target-Guided Synthesis.
Angew.Chem.Int.Ed.Engl., 61, 2022
4E36
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BU of 4e36 by Molmil
Crystal structure of the human Endoplasmic Reticulum Aminopeptidase 2 variant N392K
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Birtley, J.R, Saridakis, E, Pegias, P, Stratikos, E, Mavridis, I.M.
登録日2012-03-09
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献A common single nucleotide polymorphism in endoplasmic reticulum aminopeptidase 2 induces a specificity switch that leads to altered antigen processing.
J.Immunol., 189, 2012
7NUI
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BU of 7nui by Molmil
Crystal structure of HLA-B*08:01 in complex with ELRSRYWAI viral peptide
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
著者Mavridis, G, Giastas, P, Mpakali, A.
登録日2021-03-12
公開日2021-04-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of HLA-B*08:01 in complex with ELRSRYWAI viral peptide
To Be Published
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