5HCZ
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![BU of 5hcz by Molmil](/molmil-images/mine/5hcz) | EGFR kinase domain mutant "TMLR" with 3-azetidinyl azaindazole compound 21 | 分子名称: | 2-[1-[1-[(2~{S})-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol, Epidermal growth factor receptor, SULFATE ION | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2016-01-04 | 公開日 | 2016-09-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor. J.Med.Chem., 59, 2016
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7YVN
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![BU of 7yvn by Molmil](/molmil-images/mine/7yvn) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH281 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH281 Fab heavy chain, ... | 著者 | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | 登録日 | 2022-08-19 | 公開日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVP
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![BU of 7yvp by Molmil](/molmil-images/mine/7yvp) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH272/281 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH272 Fab heavy chain, ... | 著者 | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | 登録日 | 2022-08-19 | 公開日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVG
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![BU of 7yvg by Molmil](/molmil-images/mine/7yvg) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH132 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH132 Fab heavy chain, ... | 著者 | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | 登録日 | 2022-08-19 | 公開日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVK
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![BU of 7yvk by Molmil](/molmil-images/mine/7yvk) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH272 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH272 Fab heavy chain, ... | 著者 | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | 登録日 | 2022-08-19 | 公開日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVE
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![BU of 7yve by Molmil](/molmil-images/mine/7yve) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH027 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH027 Fab heavy chain, ... | 著者 | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | 登録日 | 2022-08-19 | 公開日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVM
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![BU of 7yvm by Molmil](/molmil-images/mine/7yvm) | Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH272 Fab | 分子名称: | Spike glycoprotein, TH281 Fab heavy chain, TH281 Fab light chain | 著者 | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | 登録日 | 2022-08-19 | 公開日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVO
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![BU of 7yvo by Molmil](/molmil-images/mine/7yvo) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH027/132 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH132 Fab heavy chain, ... | 著者 | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | 登録日 | 2022-08-19 | 公開日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVH
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![BU of 7yvh by Molmil](/molmil-images/mine/7yvh) | Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH132 Fab | 分子名称: | Spike glycoprotein, TH132 Fab heavy chain, TH132 Fab light chain | 著者 | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | 登録日 | 2022-08-19 | 公開日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVF
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![BU of 7yvf by Molmil](/molmil-images/mine/7yvf) | Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH027 Fab | 分子名称: | Spike glycoprotein, TH027 Fab heavy chain, TH027 Fab light chain | 著者 | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | 登録日 | 2022-08-19 | 公開日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVJ
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![BU of 7yvj by Molmil](/molmil-images/mine/7yvj) | Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH236 Fab | 分子名称: | Spike glycoprotein, TH236 Fab heavy chain, TH236 Fab light chain | 著者 | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | 登録日 | 2022-08-19 | 公開日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVL
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![BU of 7yvl by Molmil](/molmil-images/mine/7yvl) | Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH272 Fab | 分子名称: | Spike glycoprotein, TH272 Fab heavy chain, TH272 Fab light chain | 著者 | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | 登録日 | 2022-08-19 | 公開日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7YVI
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![BU of 7yvi by Molmil](/molmil-images/mine/7yvi) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH236 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH236 Fab heavy chain, ... | 著者 | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | 登録日 | 2022-08-19 | 公開日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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7Q1W
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![BU of 7q1w by Molmil](/molmil-images/mine/7q1w) | Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) E411A in complex with blood group A (BgA II) tetrasaccharide | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ... | 著者 | Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N. | 登録日 | 2021-10-21 | 公開日 | 2022-03-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract. Plos Biol., 19, 2021
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4PPD
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![BU of 4ppd by Molmil](/molmil-images/mine/4ppd) | PduA K26A, crystal form 2 | 分子名称: | GLYCEROL, Propanediol utilization protein PduA, SULFATE ION | 著者 | McNamara, D.E, Sawaya, M.R, Bobik, T.A, Yeates, T.O. | 登録日 | 2014-02-26 | 公開日 | 2014-05-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Alanine scanning mutagenesis identifies an asparagine-arginine-lysine triad essential to assembly of the shell of the pdu microcompartment. J.Mol.Biol., 426, 2014
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6YHH
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![BU of 6yhh by Molmil](/molmil-images/mine/6yhh) | X-ray Structure of Flavobacterium johnsoniae chitobiase (FjGH20) | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-N-acetylglucosaminidase-like protein Glycoside hydrolase family 20, GLYCEROL | 著者 | Mazurkewich, S, Helland, R, MacKenzie, A, Eijsink, V.G.H, Pope, P.B, Branden, G, Larsbrink, J. | 登録日 | 2020-03-30 | 公開日 | 2020-09-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural insights of the enzymes from the chitin utilization locus of Flavobacterium johnsoniae. Sci Rep, 10, 2020
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7SU4
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![BU of 7su4 by Molmil](/molmil-images/mine/7su4) | Dihydroneopterin aldolase (DHNA) Tyr53Phe from Yersinia pestis co-crystallized with 7,8-dihydroneopterin | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, 7,8-dihydroneopterin aldolase, ... | 著者 | Bourne, C.R. | 登録日 | 2021-11-16 | 公開日 | 2022-12-28 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Dihydroneopterin aldolase (DHNA) Tyr53Phe from Yersinia pestis co-crystallized with 7,8-dihydroneopterin To Be Published
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8G72
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![BU of 8g72 by Molmil](/molmil-images/mine/8g72) | SARS-CoV-2 spike/Nb2 complex with 1 RBD up (local refinement at 5.6 A) | 分子名称: | Nanosota-2, Spike glycoprotein | 著者 | Ye, G, Bu, F, Liu, B, Li, F. | 登録日 | 2023-02-16 | 公開日 | 2024-01-24 | 実験手法 | ELECTRON MICROSCOPY (5.6 Å) | 主引用文献 | Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19. J.Virol., 97, 2023
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8G74
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![BU of 8g74 by Molmil](/molmil-images/mine/8g74) | SARS-CoV-2 spike/Nb3 complex with 1 RBD up and 2 Nb3 | 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, Nanosota-3, ... | 著者 | Ye, G, Bu, F, Liu, B, Li, F. | 登録日 | 2023-02-16 | 公開日 | 2024-01-24 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19. J.Virol., 97, 2023
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8G73
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![BU of 8g73 by Molmil](/molmil-images/mine/8g73) | SARS-CoV-2 spike/Nb3 complex with 2 RBDs up and 3 Nb3 bound at 2.5 A | 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, Nanosota-3, ... | 著者 | Ye, G, Bu, F, Liu, B, Li, F. | 登録日 | 2023-02-16 | 公開日 | 2024-01-24 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19. J.Virol., 97, 2023
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8G75
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![BU of 8g75 by Molmil](/molmil-images/mine/8g75) | SARS-CoV-2 spike/Nb4 complex with 2 RBDs up and 3 Nb4 bound | 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, Nanosota-4, ... | 著者 | Ye, G, Bu, F, Liu, B, Li, F. | 登録日 | 2023-02-16 | 公開日 | 2024-01-24 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19. J.Virol., 97, 2023
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8OKU
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![BU of 8oku by Molmil](/molmil-images/mine/8oku) | Salt-Inducible Kinase 3 in complex with an inhibitor | 分子名称: | Serine/threonine-protein kinase SIK3, ~{N}-ethyl-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazol-1-yl]-2,6-dimethoxy-benzamide | 著者 | Flower, T.G, Leonard, P.M, Lamers, M.B.A.C, Mollat, P. | 登録日 | 2023-03-29 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Optimization of Selectivity and Pharmacokinetic Properties of Salt-Inducible Kinase Inhibitors that Led to the Discovery of Pan-SIK Inhibitor GLPG3312. J.Med.Chem., 67, 2024
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6ZI3
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![BU of 6zi3 by Molmil](/molmil-images/mine/6zi3) | Crystal structure of OleP-6DEB bound to L-rhamnose | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, ... | 著者 | Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Freda, I. | 登録日 | 2020-06-24 | 公開日 | 2020-10-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate. Biomolecules, 10, 2020
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8EPA
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![BU of 8epa by Molmil](/molmil-images/mine/8epa) | |
5U6J
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![BU of 5u6j by Molmil](/molmil-images/mine/5u6j) | Factor VIIa in complex with the inhibitor 3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide | 分子名称: | 3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide, CALCIUM ION, Coagulation factor VII Heavy Chain, ... | 著者 | Wei, A. | 登録日 | 2016-12-08 | 公開日 | 2017-05-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Neutral macrocyclic factor VIIa inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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