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6O5H
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The effect of modifier structure on the activation of leukotriene A4 hydrolase aminopeptidase activity.
分子名称: 4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine, Leukotriene A-4 hydrolase, ZINC ION
著者Noble, S.M, Lee, K.H, Paige, M.
登録日2019-03-03
公開日2019-12-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Effect of Modifier Structure on the Activation of Leukotriene A4Hydrolase Aminopeptidase Activity.
J.Med.Chem., 62, 2019
6M8P
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Human ERAP1 bound to phosphinic pseudotripeptide inhibitor DG013
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 1, Nalpha-[(2S)-2-{[[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]methyl}-4-methylpentanoyl]-L-tryptophanamide, ...
著者Maben, Z, Stern, L.J.
登録日2018-08-22
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Conformational dynamics linked to domain closure and substrate binding explain the ERAP1 allosteric regulation mechanism.
Nat Commun, 12, 2021
6EA4
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ERAP2 bound to Aryl Sulfonamide Uncompetitive Inhibitor
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Maben, Z, Stern, L.J.
登録日2018-08-02
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of human ER aminopeptidase 1 bound to aryl sulfonamide inhibitor.
To Be Published
6MGQ
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BU of 6mgq by Molmil
ERAP1 in the open conformation bound to 10mer phosphinic inhibitor DG014
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 1, Phosphinic inhibitor DG014, ...
著者Stern, L.J, Maben, Z.
登録日2018-09-14
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Conformational dynamics linked to domain closure and substrate binding explain the ERAP1 allosteric regulation mechanism.
Nat Commun, 12, 2021
6RQX
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BU of 6rqx by Molmil
High-resolution crystal structure of ERAP1 in complex with 10mer phosphinic peptide
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Giastas, P, Stratikos, E.
登録日2019-05-16
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Mechanism for antigenic peptide selection by endoplasmic reticulum aminopeptidase 1.
Proc.Natl.Acad.Sci.USA, 2019
6RYF
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BU of 6ryf by Molmil
High-resolution crystal structure of ERAP1 in complex with 15mer phosphinic peptide
分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Giastas, P, Stratikos, E.
登録日2019-06-10
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Mechanism for antigenic peptide selection by endoplasmic reticulum aminopeptidase 1.
Proc.Natl.Acad.Sci.USA, 2019
6KP0
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Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-arginine
分子名称: ARGININE, SODIUM ION, ZINC ION, ...
著者Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
登録日2019-08-13
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
6KOZ
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Crystal structure of two domain M1 zinc metallopeptidase E323 mutant bound to L-Leucine amino acid
分子名称: LEUCINE, SODIUM ION, ZINC ION, ...
著者Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
登録日2019-08-13
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
6KOY
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Crystal structure of two domain M1 Zinc metallopeptidase E323A mutant bound to L-tryptophan amino acid
分子名称: TRYPTOPHAN, ZINC ION, Zinc metalloprotease
著者Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
登録日2019-08-13
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
6T6R
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BU of 6t6r by Molmil
Human endoplasmic reticulum aminopeptidase 1 (ERAP1) in complex with (4aR,5S,6R,8S,8aR)-5-(2-(Furan-3-yl)ethyl)-8-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid
分子名称: (4~{a}~{R},5~{S},6~{R},8~{S},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-8-oxidanyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid, 1,2-ETHANEDIOL, D-MALATE, ...
著者Rowland, P.
登録日2019-10-18
公開日2020-03-18
最終更新日2020-04-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Targeting the Regulatory Site of ER Aminopeptidase 1 Leads to the Discovery of a Natural Product Modulator of Antigen Presentation.
J.Med.Chem., 63, 2020
6SBR
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BU of 6sbr by Molmil
The crystal structure of PfA-M1 in complex with 7-amino-1,4-dibromo-5,7,8,9-tetrahydrobenzocyclohepten-6-one
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Salomon, E, Schmitt, M, Mouray, E, McEwen, A.G, Torchy, M, Poussin-Courmontagne, P, Alavi, S, Tarnus, C, Cavarelli, J, Florent, I, Albrecht, S.
登録日2019-07-22
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Aminobenzosuberone derivatives as PfA-M1 inhibitors: Molecular recognition and antiplasmodial evaluation.
Bioorg.Chem., 98, 2020
6SBQ
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The crystal structure of PfA-M1 in complex with 7-amino-4-phenyl-5,7,8,9-tetrahydrobenzocyclohepten-6-one
分子名称: DI(HYDROXYETHYL)ETHER, M1-family alanyl aminopeptidase, MALONATE ION, ...
著者Salomon, E, Schmitt, M, Mouray, E, McEwen, A.G, Torchy, M, Poussin-Courmontagne, P, Alavi, S, Tarnus, C, Cavarelli, J, Florent, I, Albrecht, S.
登録日2019-07-22
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Aminobenzosuberone derivatives as PfA-M1 inhibitors: Molecular recognition and antiplasmodial evaluation.
Bioorg.Chem., 98, 2020
6KP1
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BU of 6kp1 by Molmil
Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-methionine amino acid
分子名称: METHIONINE, SODIUM ION, ZINC ION, ...
著者Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
登録日2019-08-13
公開日2020-06-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
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
6OIU
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BU of 6oiu by Molmil
X-ray crystal structure of the ectodomain of the Toxoplasma gondii ME49 Aminopeptidase N (TGME49_224350)
分子名称: Aminopeptidase N, GLYCEROL, ZINC ION
著者McGowan, S, Drinkwater, N.
登録日2019-04-09
公開日2020-09-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray crystal structure and specificity of the Toxoplasma gondii ME49 TgAPN2.
Biochem.J., 477, 2020
7AUZ
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BU of 7auz by Molmil
LTA4 hydrolase in complex with compound LYS006
分子名称: (3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid, ACETATE ION, IMIDAZOLE, ...
著者Srinivas, H.
登録日2020-11-03
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase.
J.Med.Chem., 64, 2021
7AV0
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LTA4 hydrolase in complex with compound R(13)
分子名称: (3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid, ACETATE ION, IMIDAZOLE, ...
著者Srinivas, H.
登録日2020-11-03
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase.
J.Med.Chem., 64, 2021
7AV1
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LTA4 hydrolase in complex with fragment2
分子名称: 2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine, ACETATE ION, IMIDAZOLE, ...
著者Srinivas, H.
登録日2020-11-03
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase.
J.Med.Chem., 64, 2021
7AV2
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LTA4 hydrolase in complex with fragment1
分子名称: (4-phenoxyphenyl)methanol, ACETATE ION, IMIDAZOLE, ...
著者Srinivas, H.
登録日2020-11-03
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase.
J.Med.Chem., 64, 2021
7P7P
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Crystal structure of ERAP2 aminopeptidase in complex with phosphinic pseudotripeptide((1R)-1-Amino-3-phenylpropyl){(2S)-3-[((2S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-{[3-(2-hydroxyphenyl)-isoxazol-5-yl]methyl}-3-oxopropyl}phosphinic acid
分子名称: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Giastas, P, Stratikos, E, Mpakali, A.
登録日2021-07-20
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Inhibitor-Dependent Usage of the S1' Specificity Pocket of ER Aminopeptidase 2.
Acs Med.Chem.Lett., 13, 2022
7PFS
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BU of 7pfs by Molmil
Crystal structure of ERAP2 aminopeptidase in complex with phosphinic pseudotripeptide ((1R)-1-Amino-3-phenylpropyl){2-([1,1:3,1-terphenyl]-5-ylmethyl)-3-[((2S)-1-amino-1-oxo-3-phenylpropan-2-yl)-amino]-3-oxopropyl}phosphinic acid
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Giastas, P, Stratikos, E, Mpakali, A.
登録日2021-08-12
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Inhibitor-Dependent Usage of the S1' Specificity Pocket of ER Aminopeptidase 2.
Acs Med.Chem.Lett., 13, 2022
7VPP
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Structures of a deltacoronavirus spike protein bound to porcine and human receptors indicate the risk of virus adaptation to humans
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-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Ji, W, Xu, Y, Zhang, S.
登録日2021-10-17
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structures of a deltacoronavirus spike protein bound to porcine and human receptors.
Nat Commun, 13, 2022
7VPQ
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Structures of a deltacoronavirus spike protein bound to porcine and human receptors indicate the risk of virus adaptation to humans
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-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Ji, W, Xu, Y, Zhang, S.
登録日2021-10-17
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of a deltacoronavirus spike protein bound to porcine and human receptors.
Nat Commun, 13, 2022
7V9O
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Crystal structure of the lanthipeptide zinc-metallopeptidase EryP mutant E802R from saccharopolyspora erythraea
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alanine aminopeptidase, ZINC ION
著者Zhao, C, Zhao, N.L, Bao, R.
登録日2021-08-26
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Conformational remodeling enhances activity of lanthipeptide zinc-metallopeptidases.
Nat.Chem.Biol., 18, 2022
7V9Q
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Crystal structure of the lanthipeptide zinc-metallopeptidase EryP from saccharopolyspora erythraea in open state
分子名称: Alanine aminopeptidase, ZINC ION
著者Zhao, C, Zhao, N.L, Bao, R.
登録日2021-08-26
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Conformational remodeling enhances activity of lanthipeptide zinc-metallopeptidases.
Nat.Chem.Biol., 18, 2022

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