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6XEY
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BU of 6xey by Molmil
Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-4
分子名称: 2-4 Heavy Chain, 2-4 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rapp, M, Shapiro, L, Ho, D.D.
登録日2020-06-14
公開日2020-07-22
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Potent neutralizing antibodies against multiple epitopes on SARS-CoV-2 spike.
Nature, 584, 2020
6P6X
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BU of 6p6x by Molmil
Crystal structure of voltage-gated sodium channel NavAb G94C/Q150C mutant in the activated state
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ion transport protein
著者Wisedchaisri, G, Tonggu, L, McCord, E, Gamal El-Din, T.M, Wang, L, Zheng, N, Catterall, W.A.
登録日2019-06-04
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Resting-State Structure and Gating Mechanism of a Voltage-Gated Sodium Channel.
Cell, 178, 2019
2VD6
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BU of 2vd6 by Molmil
Human adenylosuccinate lyase in complex with its substrate N6-(1,2- Dicarboxyethyl)-AMP, and its products AMP and fumarate.
分子名称: 2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID, ADENOSINE MONOPHOSPHATE, ADENYLOSUCCINATE LYASE, ...
著者Stenmark, P, Moche, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2007-09-30
公開日2007-10-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human Adenylosuccinate Lyase in Complex with its Substrate N6-(1,2-Dicarboxyethyl)-AMP, and its Products AMP and Fumarate.
To be Published
8BQU
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BU of 8bqu by Molmil
Molecular basis of ZP3/ZP1 heteropolymerization: crystal structure of a native vertebrate egg coat filament
分子名称: Choriogenin H, Zona pellucida sperm-binding protein 3, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Bokhove, M, de Sanctis, D, Yasumasu, S, Jovine, L.
登録日2022-11-21
公開日2024-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
5I95
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BU of 5i95 by Molmil
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid
分子名称: 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ...
著者Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K.
登録日2016-02-19
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
6PQ0
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LCP-embedded Proteinase K treated with MPD
分子名称: CALCIUM ION, Proteinase K
著者Bu, G, Zhu, L, Jing, L, Shi, D, Gonen, T, Liu, W, Nannenga, B.L.
登録日2019-07-08
公開日2020-08-05
最終更新日2023-10-11
実験手法ELECTRON CRYSTALLOGRAPHY (2 Å)
主引用文献Structure Determination from Lipidic Cubic Phase Embedded Microcrystals by MicroED.
Structure, 28, 2020
6PQ4
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LCP-embedded Proteinase K treated with lipase
分子名称: CALCIUM ION, NITRATE ION, Proteinase K
著者Bu, G, Zhu, L, Jing, L, Shi, D, Gonen, T, Liu, W, Nannenga, B.L.
登録日2019-07-08
公開日2020-08-05
最終更新日2024-10-09
実験手法ELECTRON CRYSTALLOGRAPHY (2 Å)
主引用文献Structure Determination from Lipidic Cubic Phase Embedded Microcrystals by MicroED.
Structure, 28, 2020
6PT2
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BU of 6pt2 by Molmil
Crystal structure of the active delta opioid receptor in complex with the peptide agonist KGCHM07
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Delta opioid receptor, ...
著者Claff, T, Yu, J, Blais, V, Patel, N, Martin, C, Wu, L, Han, G.W, Holleran, B.J, Van der Poorten, O, Hanson, M.A, Sarret, P, Gendron, L, Cherezov, V, Katritch, V, Ballet, S, Liu, Z, Muller, C.E, Stevens, R.C.
登録日2019-07-14
公開日2019-12-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Elucidating the active delta-opioid receptor crystal structure with peptide and small-molecule agonists.
Sci Adv, 5, 2019
1T25
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BU of 1t25 by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with NADH and 3-hydroxyisoxazole-4-carboxylic acid
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-HYDROXYISOXAZOLE-4-CARBOXYLIC ACID, GLYCEROL, ...
著者Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
登録日2004-04-20
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
3CC6
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BU of 3cc6 by Molmil
Crystal structure of kinase domain of protein tyrosine kinase 2 beta (PTK2B)
分子名称: GLYCEROL, MAGNESIUM ION, Protein tyrosine kinase 2 beta
著者Busam, R.D, Lehtio, L, Karlberg, T, Arrowsmith, C.H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Helleday, T, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC)
登録日2008-02-25
公開日2008-03-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Protein Tyrosine Kinase 2 Beta (PTK2B) Kinase domain.
To be Published
3B7K
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BU of 3b7k by Molmil
Human Acyl-coenzyme A thioesterase 12
分子名称: Acyl-coenzyme A thioesterase 12, COENZYME A
著者Lehtio, L, Busam, R.D, Arrowsmith, C.H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC)
登録日2007-10-31
公開日2007-11-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Human Acyl-coenzyme A thioesterase 12.
To be Published
1T2D
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BU of 1t2d by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with NAD+ and oxalate
分子名称: GLYCEROL, L-lactate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
登録日2004-04-21
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
2VKT
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BU of 2vkt by Molmil
HUMAN CTP SYNTHETASE 2 - GLUTAMINASE DOMAIN
分子名称: CTP SYNTHASE 2
著者Welin, M, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2007-12-28
公開日2008-01-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human Ctp Synthetase 2 - Glutaminase Domain
To be Published
1T26
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Plasmodium falciparum lactate dehydrogenase complexed with NADH and 4-hydroxy-1,2,5-thiadiazole-3-carboxylic acid
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-HYDROXY-1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID, L-lactate dehydrogenase
著者Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
登録日2004-04-20
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T2E
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BU of 1t2e by Molmil
Plasmodium falciparum lactate dehydrogenase S245A, A327P mutant complexed with NADH and oxamate
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase, ...
著者Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
登録日2004-04-21
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T24
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Plasmodium falciparum lactate dehydrogenase complexed with NAD+ and 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid
分子名称: 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID, GLYCEROL, L-lactate dehydrogenase, ...
著者Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
登録日2004-04-20
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T2C
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Plasmodium falciparum lactate dehydrogenase complexed with NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase
著者Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
登録日2004-04-21
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
3C5N
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Structure of human TULP1 in complex with IP3
分子名称: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Tubby-related protein 1
著者Busam, R.D, Lehtio, L, Arrowsmith, C.H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC)
登録日2008-01-31
公開日2008-04-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of human TULP1 in complex with IP3
To be published
3CFU
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BU of 3cfu by Molmil
Crystal structure of the yjhA protein from Bacillus subtilis. Northeast Structural Genomics Consortium target SR562
分子名称: Uncharacterized lipoprotein yjhA
著者Vorobiev, S.M, Chen, Y, Kuzin, A.P, Seetharaman, J, Forouhar, F, Zhao, L, Mao, L, Maglaqui, M, Xiao, R, Liu, J, Swapna, G, Huang, J.Y, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-03-04
公開日2008-03-18
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the yjhA protein from Bacillus subtilis.
To be Published
3D0W
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BU of 3d0w by Molmil
Crystal structure of YflH protein from Bacillus subtilis. Northeast Structural Genomics Consortium target SR326
分子名称: YflH protein
著者Seetharaman, J, Kuzin, A.P, Neely, H, Forouhar, F, Min, S, Zhao, L, Fang, Y, Owens, L, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-05-02
公開日2008-05-20
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of YflH protein from Bacillus subtilis.
To be Published
1T2F
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Human B lactate dehydrogenase complexed with NAD+ and 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid
分子名称: 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID, L-lactate dehydrogenase B chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
登録日2004-04-21
公開日2004-05-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
3COU
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Crystal structure of human Nudix motif 16 (NUDT16)
分子名称: Nucleoside diphosphate-linked moiety X motif 16
著者Tresaugues, L, Moche, M, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Svensson, L, Thorsell, A.G, Van Den Berg, S, Welin, M, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2008-03-29
公開日2008-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human Nudix motif 16 (NUDT16).
To be Published
3D1K
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BU of 3d1k by Molmil
R/T intermediate quaternary structure of an antarctic fish hemoglobin in an alpha(CO)-beta(pentacoordinate) state
分子名称: ACETYL GROUP, CARBON MONOXIDE, Hemoglobin subunit alpha-1, ...
著者Vitagliano, L, Vergara, A, Bonomi, G, Merlino, A, Mazzarella, L.
登録日2008-05-06
公開日2008-08-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Spectroscopic and crystallographic characterization of a tetrameric hemoglobin oxidation reveals structural features of the functional intermediate relaxed/tense state.
J.Am.Chem.Soc., 130, 2008
3D3N
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Crystal structure of lipase/esterase (lp_2923) from Lactobacillus plantarum. Northeast Structural Genomics Consortium target LpR108
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Putative lipase/esterase
著者Forouhar, F, Su, M, Seetharaman, J, Mao, L, Janjua, H, Xiao, R, Ciccosanti, C, Maglaqui, M, Foote, E.L, Zhao, L, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2008-05-12
公開日2008-06-10
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of lipase/esterase (lp_2923) from Lactobacillus plantarum. Northeast Structural Genomics Consortium target LpR108
To be Published
8RDR
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BU of 8rdr by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8g
分子名称: (5~{S})-3-(2-nitrophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ...
著者Bischof, L, Hartmann, M.D.
登録日2023-12-08
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024

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