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6FFH
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BU of 6ffh by Molmil
Crystal Structure of mGluR5 in complex with Fenobam at 2.65 A
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{H}-imidazol-2-yl)urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Christopher, J.A, Orgovan, Z, Congreve, M, Dore, A.S, Errey, J.C, Marshall, F.H, Mason, J.S, Okrasa, K, Rucktooa, P, Serrano-Vega, M.J, Ferenczy, G.G, Keseru, G.M.
登録日2018-01-08
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu5) X-ray Structures.
J.Med.Chem., 62, 2019
6FFI
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BU of 6ffi by Molmil
Crystal Structure of mGluR5 in complex with MMPEP at 2.2 A
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-pyridine, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, ...
著者Christopher, J.A, Orgovan, Z, Congreve, M, Dore, A.S, Errey, J.C, Marshall, F.H, Mason, J.S, Okrasa, K, Rucktooa, P, Serrano-Vega, M.J, Ferenczy, G.G, Keseru, G.M.
登録日2018-01-08
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu5) X-ray Structures.
J.Med.Chem., 62, 2019
4RE6
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BU of 4re6 by Molmil
Acylaminoacyl peptidase complexed with a chloromethylketone inhibitor
分子名称: Acylamino-acid-releasing enzyme, CHLORIDE ION, N-[(benzyloxy)carbonyl]glycyl-N-[(2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide
著者Menyhard, D.K, Orgovan, Z, Szeltner, Z, Szamosi, I, Harmat, V.
登録日2014-09-22
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Catalytically distinct states captured in a crystal lattice: the substrate-bound and scavenger states of acylaminoacyl peptidase and their implications for functionality.
Acta Crystallogr.,Sect.D, 71, 2015
4RE5
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BU of 4re5 by Molmil
Acylaminoacyl peptidase complexed with a chloromethylketone inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Acylamino-acid-releasing enzyme, ...
著者Menyhard, D.K, Orgovan, Z, Szeltner, Z, Szamosi, I, Harmat, V.
登録日2014-09-22
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Catalytically distinct states captured in a crystal lattice: the substrate-bound and scavenger states of acylaminoacyl peptidase and their implications for functionality.
Acta Crystallogr.,Sect.D, 71, 2015
7QUN
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BU of 7qun by Molmil
CryoEM structure of mammalian AAP in complex with Meropenem
分子名称: (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Acylamino-acid-releasing enzyme
著者Kiss-Szeman, A.J, Harmat, V, Straner, P, Jakli, I, Menyhard, K.D, Masiulis, S, Perczel, A.
登録日2022-01-18
公開日2022-11-16
最終更新日2023-02-01
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献A carbapenem antibiotic inhibiting a mammalian serine protease: structure of the acylaminoacyl peptidase-meropenem complex.
Chem Sci, 13, 2022
8Q34
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BU of 8q34 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide
著者MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M.
登録日2023-08-03
公開日2024-02-07
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Mapping protein binding sites by photoreactive fragment pharmacophores.
Commun Chem, 7, 2024

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件を2024-09-18に公開中

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