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8SI9
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Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus allopregnanolone
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, GAMMA-AMINO-BUTANOIC ACID, ...
著者Legesse, D.H, Hibbs, R.E.
登録日2023-04-14
公開日2023-08-30
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structural insights into opposing actions of neurosteroids on GABA A receptors.
Nat Commun, 14, 2023
5F7A
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Nitrite complex structure of copper nitrite reductase from Alcaligenes faecalis determined at 293 K
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION
著者Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Masuda, T, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E.
登録日2015-12-07
公開日2016-03-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography
Proc.Natl.Acad.Sci.USA, 113, 2016
8A2E
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Crystal Structure of Human Parechovirus 3 2A protein
分子名称: 2A protein, GLYCEROL, SULFATE ION
著者von Castelmur, E, Zhu, L, wang, X, Fry, E, Ren, J, Perrakis, A, Stuart, D.I.
登録日2022-06-03
公開日2023-06-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural plasticity of 2A proteins in the Parechovirus family.
To Be Published
5M1N
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BU of 5m1n by Molmil
Crystal structure of the large terminase nuclease from thermophilic phage G20c with bound Manganese
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, Phage terminase large subunit, ...
著者Xu, R.G, Jenkins, H.T, Chechik, M, Blagova, E.V, Greive, S.J, Antson, A.A.
登録日2016-10-09
公開日2016-10-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Viral genome packaging terminase cleaves DNA using the canonical RuvC-like two-metal catalysis mechanism.
Nucleic Acids Res., 45, 2017
6VGI
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BU of 6vgi by Molmil
Crystal Structures of FLAP bound to MK-866
分子名称: 3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid, 5-lipoxygenase-activating protein, SULFATE ION
著者Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H.
登録日2020-01-08
公開日2020-12-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Biochim Biophys Acta Gen Subj, 1865, 2020
5M5C
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Mechanism of microtubule minus-end recognition and protection by CAMSAP proteins
分子名称: Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Akhmanova, A, Moores, C.A, Baldus, M, Steinmetz, M.O, Topf, M, Roberts, A.J, Grant, B.J, Scarabelli, G, Joseph, A.-P, van Hooff, J.J.E, Houben, K, Hua, S, Luo, Y, Stangier, M.M, Jiang, K, Atherton, J.
登録日2016-10-21
公開日2017-10-04
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献A structural model for microtubule minus-end recognition and protection by CAMSAP proteins.
Nat. Struct. Mol. Biol., 24, 2017
8A2G
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Crystal structure of Sebokelevirus 2A2 protein
分子名称: 1,2-ETHANEDIOL, 2A2 protein, TETRAETHYLENE GLYCOL
著者Zhu, L, Von Castelmur, E, Whang, X, Ren, J, Fry, E, Perrakis, A, Stuart, D.I.
登録日2022-06-03
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural plasticity of 2A proteins in the Parechovirus family
to be published
4XVW
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Crystal structure of Proteus mirabilis ScsC in a compact conformation
分子名称: DsbA-like protein
著者Kurth, F, Furlong, E.J, Premkumar, L, Martin, J.L.
登録日2015-01-27
公開日2016-06-08
最終更新日2022-02-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A shape-shifting redox foldase contributes to Proteus mirabilis copper resistance.
Nat Commun, 8, 2017
5M50
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Mechanism of microtubule minus-end recognition and protection by CAMSAP proteins
分子名称: Calmodulin-regulated spectrin-associated protein 3, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Akhmanova, A, Moores, C.A, Baldus, M, Steinmetz, M.O, Topf, M, Roberts, A.J, Grant, B.J, Scarabelli, G, Joseph, A.-P, van Hooff, J.J.E, Houben, K, Hua, S, Luo, Y, Stangier, M.M, Jiang, K, Atherton, J.
登録日2016-10-20
公開日2017-10-04
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (5.3 Å)
主引用文献A structural model for microtubule minus-end recognition and protection by CAMSAP proteins.
Nat. Struct. Mol. Biol., 24, 2017
6SAQ
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BU of 6saq by Molmil
wild-type NuoEF from Aquifex aeolicus bound to NADH-OH
分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Gerhardt, S.
登録日2019-07-17
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural Basis for Inhibition of ROS-Producing Respiratory Complex I by NADH-OH.
Angew.Chem.Int.Ed.Engl., 2021
8DD3
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BU of 8dd3 by Molmil
Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus DMCM
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, GAMMA-AMINO-BUTANOIC ACID, ...
著者Zhu, S, Hibbs, R.E.
登録日2022-06-17
公開日2022-08-17
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural and dynamic mechanisms of GABA A receptor modulators with opposing activities.
Nat Commun, 13, 2022
8DD2
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Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus Zolpidem
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, GAMMA-AMINO-BUTANOIC ACID, ...
著者Zhu, S, Hibbs, R.E.
登録日2022-06-17
公開日2022-08-17
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural and dynamic mechanisms of GABA A receptor modulators with opposing activities.
Nat Commun, 13, 2022
6EZ4
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BU of 6ez4 by Molmil
NMR structure of the C-terminal domain of the human RPAP3 protein
分子名称: RNA polymerase II-associated protein 3
著者Fabre, P, Chagot, M.E, Bragantini, B, Manival, X, Quinternet, M.
登録日2017-11-14
公開日2018-04-18
最終更新日2024-01-17
実験手法SOLUTION NMR
主引用文献The RPAP3-Cterminal domain identifies R2TP-like quaternary chaperones.
Nat Commun, 9, 2018
4XJT
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Human CD38 complexed with inhibitor 2 [4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide]
分子名称: 4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
著者Shewchuk, L.M, Deaton, D.N, Stewart, E.
登録日2015-01-09
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of 4-Amino-8-quinoline Carboxamides as Novel, Submicromolar Inhibitors of NAD-Hydrolyzing Enzyme CD38.
J.Med.Chem., 58, 2015
2IZZ
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BU of 2izz by Molmil
Crystal structure of human pyrroline-5-carboxylate reductase
分子名称: 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRROLINE-5-CARBOXYLATE REDUCTASE 1
著者Pike, A.C.W, Guo, K, Kavanagh, K, Pilka, E.S, Berridge, G, Colebrook, S, Bray, J, Salah, E, Savitsky, P, Papagrigoriou, E, Turnbull, A.P, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U.
登録日2006-07-31
公開日2006-08-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of Human Pyrroline-5-Carboxylate Reductase
To be Published
6F5W
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Photorhabdus asymbiotica lectin (PHL) in complex with propargyl-fucoside
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, SODIUM ION, ...
著者Houser, J, Jancarikova, G, Wimmerova, M, Csavas, M, Borbas, A, Herczeg, M, Fujdiarova, E, Kover, E.K.
登録日2017-12-04
公開日2018-01-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Synthesis of alpha-l-Fucopyranoside-Presenting Glycoclusters and Investigation of Their Interaction with Photorhabdus asymbiotica Lectin (PHL).
Chemistry, 24, 2018
7B1X
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BU of 7b1x by Molmil
Crystal structure of cold-active esterase PMGL3 from permafrost metagenomic library
分子名称: esterase PMGL3
著者Boyko, K.M, Nikolaeva, A.Y, Petrovskaya, L.E, Kryukova, M.V, Kryukova, E.A, Korzhenevsky, D.A, Lomakina, G.Y, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O.
登録日2020-11-25
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Biochemical Characterization of a Cold-Active PMGL3 Esterase with Unusual Oligomeric Structure.
Biomolecules, 11, 2021
4XJS
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Human CD38 complexed with inhibitor 1 [6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide]
分子名称: 5-O-phosphono-alpha-D-ribofuranose, 6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
著者Shewchuk, L.M, Deaton, D, Stewart, E.
登録日2015-01-09
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of 4-Amino-8-quinoline Carboxamides as Novel, Submicromolar Inhibitors of NAD-Hydrolyzing Enzyme CD38.
J.Med.Chem., 58, 2015
6SP2
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CryoEM structure of SERINC from Drosophila melanogaster
分子名称: CARDIOLIPIN, Lauryl Maltose Neopentyl Glycol, Membrane protein TMS1d, ...
著者Pye, V.E, Nans, A, Cherepanov, P.
登録日2019-08-30
公開日2020-01-01
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献A bipartite structural organization defines the SERINC family of HIV-1 restriction factors.
Nat.Struct.Mol.Biol., 27, 2020
5AMN
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The Discovery of 2-Substituted Phenol Quinazolines as Potent and Selective RET Kinase Inhibitors
分子名称: 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
著者Newton, R, Bowler, K, Burns, E.M, Chapman, P, Fairweather, E, Fritzl, S, Goldberg, K, Hamilton, N.M, Holt, S.V, Hopkins, G.V, Jones, S.D, Jordan, A.M, Lyons, A, McDonald, N.Q, Maguire, L.A, Mould, D.P, Purkiss, A.G, Small, H.F, Stowell, A, Thomson, G.J, Waddell, I.D, Waszkowycz, B, Watson, A.J, Ogilvie, D.J.
登録日2015-03-11
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献The discovery of 2-substituted phenol quinazolines as potent RET kinase inhibitors with improved KDR selectivity.
Eur J Med Chem, 112, 2016
6SP1
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KEAP1 IN COMPLEX WITH COMPOUND 6
分子名称: (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1
著者Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S.
登録日2019-08-30
公開日2020-06-03
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
6B1U
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Structure of full-length human AMPK (a2b1g1) in complex with a small molecule activator SC4
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
著者Ngoei, K.R.W, Langendorf, C.G, Ling, N.X.Y, Hoque, A, Johnson, S, Camerino, M.C, Walker, S.R, Bozikis, Y.E, Dite, T.A, Ovens, A.J, Smiles, W.J, Jacobs, R, Huang, H, Parker, M.W, Scott, J.W, Rider, M.H, Kemp, B.E, Foitzik, R.C, Baell, J.B, Oakhill, J.S.
登録日2017-09-19
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural Determinants for Small-Molecule Activation of Skeletal Muscle AMPK alpha 2 beta 2 gamma 1 by the Glucose Importagog SC4.
Cell Chem Biol, 25, 2018
5F7B
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Resting state structure of CuNiR form Alcaligenes faecalis determined at 293 K
分子名称: COPPER (II) ION, Copper-containing nitrite reductase
著者Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Masuda, T, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E.
登録日2015-12-07
公開日2016-03-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography
Proc.Natl.Acad.Sci.USA, 113, 2016
4QKQ
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RadA from Methanococcus Voltae in complex with copper phthalocyanine tetrasulfonate inhibitor
分子名称: Copper(II) tetrapyrrole, DNA repair and recombination protein RadA, NITRATE ION
著者Rao, D.E.C.S, Li, Y, He, Y, Luo, Y.
登録日2014-06-09
公開日2015-06-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of an archaeal Rad51 homolog in complex with a phthalocyanine tetrasulfonate inhibitor
To be Published
8QYS
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Human preholo proteasome 20S core particle
分子名称: Proteasome assembly chaperone 1, Proteasome assembly chaperone 2, Proteasome maturation protein, ...
著者Schulman, B.A, Hanna, J.W, Harper, J.W, Adolf, F, Du, J, Rawson, S.D, Walsh Jr, R.M, Goodall, E.A.
登録日2023-10-26
公開日2024-02-21
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Visualizing chaperone-mediated multistep assembly of the human 20S proteasome.
Nat.Struct.Mol.Biol., 2024

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