1ETN
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![BU of 1etn by Molmil](/molmil-images/mine/1etn) | |
1ETL
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![BU of 1etl by Molmil](/molmil-images/mine/1etl) | |
1ETM
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![BU of 1etm by Molmil](/molmil-images/mine/1etm) | |
8A0B
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![BU of 8a0b by Molmil](/molmil-images/mine/8a0b) | Inhibitor binding to HDAC2 | Descriptor: | 1,2-ETHANEDIOL, 1,3-dihydroisoindol-2-yl-[(2R,4S)-4-phenylpyrrolidin-1-ium-2-yl]methanone, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-27 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.746 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZS
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![BU of 7zzs by Molmil](/molmil-images/mine/7zzs) | HDAC2 complexed with an inhibitory ligand | Descriptor: | (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one, 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZP
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![BU of 7zzp by Molmil](/molmil-images/mine/7zzp) | Structure of HDAC2 complexed with an inhibitory ligand | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZR
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![BU of 7zzr by Molmil](/molmil-images/mine/7zzr) | HDAC2 in complex with inhibitory ligand | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (2.168 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZO
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![BU of 7zzo by Molmil](/molmil-images/mine/7zzo) | HDAC2 in complex with an inhibitor | Descriptor: | 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZT
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![BU of 7zzt by Molmil](/molmil-images/mine/7zzt) | Ligand binding to HDAC2 | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZW
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![BU of 7zzw by Molmil](/molmil-images/mine/7zzw) | Ligand binding to HDAC2 | Descriptor: | 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZU
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![BU of 7zzu by Molmil](/molmil-images/mine/7zzu) | Inhibitory Ligand binding to HDAC2 | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[(2~{R},4~{S})-4-phenylpyrrolidin-2-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7XWA
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![BU of 7xwa by Molmil](/molmil-images/mine/7xwa) | Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron BA.4/5 variant spike protein in complex with its receptor ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Suzuki, T, Kimura, K, Hashiguchi, T. | Deposit date: | 2022-05-26 | Release date: | 2022-09-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.36 Å) | Cite: | Virological characteristics of the SARS-CoV-2 Omicron BA.2 subvariants, including BA.4 and BA.5. Cell, 185, 2022
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5B83
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![BU of 5b83 by Molmil](/molmil-images/mine/5b83) | |
5YGX
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![BU of 5ygx by Molmil](/molmil-images/mine/5ygx) | Structure of BACE1 in complex with N-(3-((4R,5R,6S)-2-amino-6-(1,1-difluoroethyl)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Nakahara, K, Fuchino, K, Komano, K, Asada, N, Tadano, G, Hasegawa, T, Yamamoto, T, Sako, Y, Ogawa, M, Unemura, C, Hosono, M, Sakaguchi, G, Ando, S, Ohnishi, S, Kido, Y, Fukushima, T, Dhuyvetter, D, Borghys, H, Gijsen, H, Yamano, Y, Iso, Y, Kusakabe, K. | Deposit date: | 2017-09-27 | Release date: | 2018-08-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Potent and Centrally Active 6-Substituted 5-Fluoro-1,3-dihydro-oxazine beta-Secretase (BACE1) Inhibitors via Active Conformation Stabilization J. Med. Chem., 61, 2018
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3ASQ
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![BU of 3asq by Molmil](/molmil-images/mine/3asq) | Crystal structure of P domain from Norovirus Funabashi258 stain in the complex with H-antigen | Descriptor: | Capsid protein, P-NITROPHENOL, SODIUM ION, ... | Authors: | Kubota, T, Kumagai, A, Itoh, H, Furukawa, S, Narimatsu, H, Wakita, T, Ishii, K, Takeda, N, Someya, Y, Shirato, H. | Deposit date: | 2010-12-17 | Release date: | 2012-01-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for the recognition of Lewis antigens by genogroup I norovirus J.Virol., 86, 2012
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3ASR
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![BU of 3asr by Molmil](/molmil-images/mine/3asr) | Crystal structure of P domain from Norovirus Funabashi258 stain in the complex with Lewis-a | Descriptor: | Capsid protein, P-NITROPHENOL, SODIUM ION, ... | Authors: | Kubota, T, Kumagai, A, Itoh, H, Furukawa, S, Narimatsu, H, Wakita, T, Ishii, K, Takeda, N, Someya, Y, Shirato, H. | Deposit date: | 2010-12-17 | Release date: | 2012-01-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for the recognition of Lewis antigens by genogroup I norovirus J.Virol., 86, 2012
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3ASS
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![BU of 3ass by Molmil](/molmil-images/mine/3ass) | Crystal structure of P domain from Norovirus Funabashi258 stain in the complex with Lewis-b | Descriptor: | Capsid protein, P-NITROPHENOL, SODIUM ION, ... | Authors: | Kubota, T, Kumagai, A, Itoh, H, Furukawa, S, Narimatsu, H, Wakita, T, Ishii, K, Takeda, N, Someya, Y, Shirato, H. | Deposit date: | 2010-12-17 | Release date: | 2012-01-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for the recognition of Lewis antigens by genogroup I norovirus J.Virol., 86, 2012
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3ASP
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![BU of 3asp by Molmil](/molmil-images/mine/3asp) | Crystal structure of P domain from Norovirus Funabashi258 stain in the complex with A-antigen | Descriptor: | Capsid protein, SODIUM ION, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Kubota, T, Kumagai, A, Itoh, H, Furukawa, S, Narimatsu, H, Wakita, T, Ishii, K, Takeda, N, Someya, Y, Shirato, H. | Deposit date: | 2010-12-17 | Release date: | 2012-01-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for the recognition of Lewis antigens by genogroup I norovirus J.Virol., 86, 2012
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3AST
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![BU of 3ast by Molmil](/molmil-images/mine/3ast) | Crystal structure of P domain Q389N mutant from Norovirus Funabashi258 stain in the complex with Lewis-b | Descriptor: | Capsid protein, P-NITROPHENOL, SODIUM ION, ... | Authors: | Kubota, T, Kumagai, A, Itoh, H, Furukawa, S, Narimatsu, H, Wakita, T, Ishii, K, Takeda, N, Someya, Y, Shirato, H. | Deposit date: | 2010-12-17 | Release date: | 2012-01-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis for the recognition of Lewis antigens by genogroup I norovirus J.Virol., 86, 2012
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