8XNF
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![BU of 8xnf by Molmil](/molmil-images/mine/8xnf) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2.86 spike protein(6P) in complex with human ACE2 | 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, Angiotensin-converting enzyme 2, ... | 著者 | Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F. | 登録日 | 2023-12-29 | 公開日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.26 Å) | 主引用文献 | Structural basis of receptor binding and immune escape for SARS-CoV-2 Omicron BA.2.86.1, EG.5, EG.5.1 and HV.1 sub-variants To Be Published
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8YIE
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![BU of 8yie by Molmil](/molmil-images/mine/8yie) | Crystal structure of GH13_30 alpha-glucosidase CmmB in complex with acarbose | 分子名称: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glucosidase | 著者 | Saburi, W, Tagami, T, Yu, J, Ose, T, Yao, M, Mori, H. | 登録日 | 2024-02-29 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Molecular mechanism for the substrate specificity of Arthrobacter globiformis M6 alpha-glucosidase CmmB, belonging to glycoside hydrolase family 13 subfamily 30 Food Biosci, 61, 2024
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8XUR
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![BU of 8xur by Molmil](/molmil-images/mine/8xur) | BA.2.86 Spike Trimer in complex with heparan sulfate | 分子名称: | 2-O-sulfo-beta-L-altropyranuronic acid, 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 | Yue, C, Liu, P. | 登録日 | 2024-01-14 | 公開日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.85 Å) | 主引用文献 | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity Natl Sci Rev, 2024
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9FAY
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![BU of 9fay by Molmil](/molmil-images/mine/9fay) | Gcase in complex with small molecule inhibitor 1 | 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 | Tisi, D, Cleasby, A. | 登録日 | 2024-05-10 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase. J.Med.Chem., 2024
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8XUU
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9FA3
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![BU of 9fa3 by Molmil](/molmil-images/mine/9fa3) | Gcase in complex with small molecule inhibitor 1 | 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, Lysosomal acid glucosylceramidase, ... | 著者 | Tisi, D, Cleasby, A. | 登録日 | 2024-05-10 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase. J.Med.Chem., 2024
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7LWD
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![BU of 7lwd by Molmil](/molmil-images/mine/7lwd) | Cryo-EM structure of the wild-type human serotonin transporter complexed with vilazodone, imipramine and 15B8 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide, ... | 著者 | Yang, D, Kalenderoglou, I.E, Gouaux, E, Coleman, J.A, Loland, C.J. | 登録日 | 2021-03-01 | 公開日 | 2021-08-11 | 最終更新日 | 2021-09-01 | 実験手法 | ELECTRON MICROSCOPY (3.65 Å) | 主引用文献 | The antidepressant drug vilazodone is an allosteric inhibitor of the serotonin transporter. Nat Commun, 12, 2021
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9FAL
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![BU of 9fal by Molmil](/molmil-images/mine/9fal) | Gcase in complex with small molecule inhibitor 1 | 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 | Tisi, D, Cleasby, A. | 登録日 | 2024-05-10 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase. J.Med.Chem., 2024
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8Z38
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8Z28
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![BU of 8z28 by Molmil](/molmil-images/mine/8z28) | |
3UCT
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![BU of 3uct by Molmil](/molmil-images/mine/3uct) | |
8XN2
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![BU of 8xn2 by Molmil](/molmil-images/mine/8xn2) | SARS-CoV-2 Omicron EG.5.1 RBD in complex with human ACE2 (local refined from the spike protein) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | 著者 | Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F. | 登録日 | 2023-12-28 | 公開日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (2.79 Å) | 主引用文献 | Structural basis of receptor binding and immune escape for SARS-CoV-2 Omicron BA.2.86, EG.5, EG.5.1 and HV.1 sub-variants To Be Published
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8Y18
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![BU of 8y18 by Molmil](/molmil-images/mine/8y18) | Cryo-EM structure of SARS-CoV-2 Omicron JN.1 RBD in complex with human ACE2 (local refinement from the spike protein) | 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, Angiotensin-converting enzyme 2, ... | 著者 | Li, L.J, Gu, Y.H, Qi, J.X, Gao, G.F. | 登録日 | 2024-01-23 | 公開日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | 主引用文献 | Spike structures, receptor binding and immune escape of SARS-CoV-2 Omicron recently-circulating BA.2.86.1, JN.1, EG.5, EG.5.1 and HV.1 sub-variants To Be Published
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8YJ8
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![BU of 8yj8 by Molmil](/molmil-images/mine/8yj8) | Characerization of a novel format scFvXVHH single-chain Biparatopic antibody against a metal binding protein, MtsA | 分子名称: | Iron ABC transporter substrate-binding lipoprotein MtsA, VHH43, ZINC ION | 著者 | Ito, S, Nagatoishi, S, Nakakido, M, Tsumoto, K. | 登録日 | 2024-03-01 | 公開日 | 2024-06-19 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Characterization of a novel format scFv×VHH single-chain biparatopic antibody against metal binding protein MtsA. Protein Sci., 33, 2024
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9FA6
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![BU of 9fa6 by Molmil](/molmil-images/mine/9fa6) | Gcase in complex with small molecule inhibitor 1 | 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, Lysosomal acid glucosylceramidase, ... | 著者 | Tisi, D, Cleasby, A. | 登録日 | 2024-05-10 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase. J.Med.Chem., 2024
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9FAD
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![BU of 9fad by Molmil](/molmil-images/mine/9fad) | Gcase in complex with small molecule inhibitor 1 | 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ... | 著者 | Tisi, D, Cleasby, A. | 登録日 | 2024-05-10 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase. J.Med.Chem., 2024
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9FAZ
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![BU of 9faz by Molmil](/molmil-images/mine/9faz) | Gcase in complex with small molecule inhibitor 1 | 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 | Tisi, D, Cleasby, A. | 登録日 | 2024-05-10 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase. J.Med.Chem., 2024
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5VN3
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![BU of 5vn3 by Molmil](/molmil-images/mine/5vn3) | Cryo-EM model of B41 SOSIP.664 in complex with soluble CD4 (D1-D2) and fragment antigen binding variable domain of 17b | 分子名称: | 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Ozorowski, G, Pallesen, J, Ward, A.B. | 登録日 | 2017-04-28 | 公開日 | 2017-07-12 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Open and closed structures reveal allostery and pliability in the HIV-1 envelope spike. Nature, 547, 2017
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8YJ5
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![BU of 8yj5 by Molmil](/molmil-images/mine/8yj5) | Characerization of a novel format scFvXVHH single-chain Biparatopic antibody against a metal binding protein, MtsA | 分子名称: | Iron ABC transporter substrate-binding lipoprotein MtsA, VHH43 | 著者 | Ito, S, Nagatoishi, S, Nakakido, M, Tsumoto, K. | 登録日 | 2024-03-01 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (3.66 Å) | 主引用文献 | Characterization of a novel format scFv×VHH single-chain biparatopic antibody against metal binding protein MtsA. Protein Sci., 33, 2024
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8YR4
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![BU of 8yr4 by Molmil](/molmil-images/mine/8yr4) | Cryo-EM structure of the human ABCB6 in complex with Cd(II):Phytochelatin 2 | 分子名称: | ATP-binding cassette sub-family B member 6, CADMIUM ION, GAMMA-D-GLUTAMIC ACID, ... | 著者 | Choi, S.H, Lee, S.S, Lee, H.Y, Kim, S, Kim, J.W, Jin, M.S. | 登録日 | 2024-03-20 | 公開日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Cryo-EM structure of cadmium-bound human ABCB6. Commun Biol, 7, 2024
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4NZB
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![BU of 4nzb by Molmil](/molmil-images/mine/4nzb) | NS9283 bound to Ls-AChBP | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile, ACETATE ION, ... | 著者 | Olsen, J.A, Kastrup, J.S, Gajhede, M. | 登録日 | 2013-12-11 | 公開日 | 2014-07-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Structural and functional studies of the modulator NS9283 reveal agonist-like mechanism of action at alpha 4 beta 2 nicotinic acetylcholine receptors. J.Biol.Chem., 289, 2014
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9EZJ
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![BU of 9ezj by Molmil](/molmil-images/mine/9ezj) | Apo human TDO in complex with a bound inhibitor (Cpd-4) | 分子名称: | Tryptophan 2,3-dioxygenase, alpha-methyl-L-tryptophan, ethyl (9~{R})-2-methoxy-4-oxidanylidene-9-[[(1~{S})-1-phenylethyl]-[(2-propan-2-ylphenyl)carbamoyl]amino]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate | 著者 | Wicki, M, Mac Sweeney, A. | 登録日 | 2024-04-12 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.612 Å) | 主引用文献 | Discovery and binding mode of small molecule inhibitors of the apo form of human TDO2 To Be Published
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9BBB
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![BU of 9bbb by Molmil](/molmil-images/mine/9bbb) | Human CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, cobicistat | 著者 | Sevrioukova, I.F. | 登録日 | 2024-04-05 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Interaction of CYP3A4 with the inhibitor cobicistat: Structural and mechanistic insights and comparison with ritonavir to be published
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9BJA
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4F28
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![BU of 4f28 by Molmil](/molmil-images/mine/4f28) | The Crystal Structure of a Human MitoNEET mutant with Met 62 Replaced by a Gly | 分子名称: | CDGSH iron-sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER | 著者 | Baxter, E.L, Zuris, J.A, Wang, C, Axelrod, H.L, Cohen, A.E, Paddock, M.L, Nechushtai, R, Onuchic, J.N, Jennings, P.A. | 登録日 | 2012-05-07 | 公開日 | 2012-12-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Allosteric control in a metalloprotein dramatically alters function. Proc.Natl.Acad.Sci.USA, 110, 2013
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