7WMF
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![BU of 7wmf by Molmil](/molmil-images/mine/7wmf) | Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor | 分子名称: | (2S,3R)-2-azanyl-N-[(1R)-2-[3-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]propanoylamino]-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ... | 著者 | Cai, Z, Chen, B, Yu, Y, Zhou, H. | 登録日 | 2022-01-14 | 公開日 | 2022-04-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases. J.Med.Chem., 65, 2022
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5SYD
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![BU of 5syd by Molmil](/molmil-images/mine/5syd) | |
8H6T
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![BU of 8h6t by Molmil](/molmil-images/mine/8h6t) | |
8H6P
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![BU of 8h6p by Molmil](/molmil-images/mine/8h6p) | Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor | 分子名称: | (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | 著者 | Ren, X. | 登録日 | 2022-10-18 | 公開日 | 2023-02-22 | 最終更新日 | 2023-03-29 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design. Acs Med.Chem.Lett., 14, 2023
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4NXS
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![BU of 4nxs by Molmil](/molmil-images/mine/4nxs) | Crystal structure of human alpha-galactosidase A in complex with 1-deoxygalactonojirimycin-pFPhT | 分子名称: | (2R,3S,4R,5S)-N-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide, 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 | Johnson, J.L, Drury, J.E, Lieberman, R.L. | 登録日 | 2013-12-09 | 公開日 | 2014-06-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.5493 Å) | 主引用文献 | Molecular Basis of 1-Deoxygalactonojirimycin Arylthiourea Binding to Human alpha-Galactosidase A: Pharmacological Chaperoning Efficacy on Fabry Disease Mutants. Acs Chem.Biol., 9, 2014
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4B2M
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![BU of 4b2m by Molmil](/molmil-images/mine/4b2m) | COMPLEXES OF DODECIN WITH FLAVIN AND FLAVIN-LIKE LIGANDS | 分子名称: | CHLORIDE ION, DODECIN, MAGNESIUM ION, ... | 著者 | Staudt, H, Hoesl, M, Dreuw, A, Serdjukow, S, Oesterhelt, D, Budisa, N, Wachtveitl, J, Grininger, M. | 登録日 | 2012-07-16 | 公開日 | 2013-05-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The flavoprotein dodecin as a redox probe for electron transfer through DNA. Angew.Chem.Int.Ed.Engl., 52, 2013
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7YIW
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![BU of 7yiw by Molmil](/molmil-images/mine/7yiw) | The Crystal Structure of Human Tissue Nonspecific Alkaline Phosphatase (ALPL) at Acidic pH | 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, Alkaline phosphatase, ... | 著者 | Yu, Y.T, Yao, D.Q, Zhang, Q, Rao, B, Xia, Y, Lu, Y, Qin, A, Cao, Y. | 登録日 | 2022-07-18 | 公開日 | 2023-07-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | The structural pathology for hypophosphatasia caused by malfunctional tissue non-specific alkaline phosphatase. Nat Commun, 14, 2023
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7YIV
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![BU of 7yiv by Molmil](/molmil-images/mine/7yiv) | The Crystal Structure of Human Tissue Nonspecific Alkaline Phosphatase (ALPL) at Basic pH | 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, Alkaline phosphatase, ... | 著者 | Cao, Y, Qin, A, Yu, Y.T, Yao, D.Q, Zhang, Q, Rao, B, Xia, Y, Lu, Y. | 登録日 | 2022-07-18 | 公開日 | 2023-07-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | 主引用文献 | The structural pathology for hypophosphatasia caused by malfunctional tissue non-specific alkaline phosphatase. Nat Commun, 14, 2023
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7YIX
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![BU of 7yix by Molmil](/molmil-images/mine/7yix) | The Cryo-EM Structure of Human Tissue Nonspecific Alkaline Phosphatase and Single-Chain Fragment Variable (ScFv) Complex. | 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, Alkaline phosphatase, ... | 著者 | Yu, Y.T, Yao, D.Q, Zhang, Q, Rao, B, Xia, Y, Lu, Y, Qin, A, Ma, P.X, Cao, Y. | 登録日 | 2022-07-18 | 公開日 | 2023-08-16 | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | 主引用文献 | The structural pathology for hypophosphatasia caused by malfunctional tissue non-specific alkaline phosphatase. Nat Commun, 14, 2023
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5CFA
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![BU of 5cfa by Molmil](/molmil-images/mine/5cfa) | |
5CF3
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![BU of 5cf3 by Molmil](/molmil-images/mine/5cf3) | |
7EPM
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![BU of 7epm by Molmil](/molmil-images/mine/7epm) | human LDHC complexed with NAD+ and ethylamino acetic acid | 分子名称: | 2-(ethylamino)-2-oxidanylidene-ethanoic acid, L-lactate dehydrogenase C chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Yu, Y, Chen, Q. | 登録日 | 2021-04-27 | 公開日 | 2022-03-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Identification of human LDHC4 as a potential target for anticancer drug discovery. Acta Pharm Sin B, 12, 2022
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7YR0
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![BU of 7yr0 by Molmil](/molmil-images/mine/7yr0) | |
7YQU
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![BU of 7yqu by Molmil](/molmil-images/mine/7yqu) | SARS-CoV-2 BA.2.75 S Trimer (3 RBD Down) | 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, Spike glycoprotein | 著者 | Wang, L. | 登録日 | 2022-08-08 | 公開日 | 2022-10-19 | 最終更新日 | 2022-11-23 | 実験手法 | ELECTRON MICROSCOPY (3.19 Å) | 主引用文献 | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YQT
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![BU of 7yqt by Molmil](/molmil-images/mine/7yqt) | SARS-CoV-2 BA.2.75 S Trimer (1 RBD Up) | 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, Spike glycoprotein | 著者 | Wang, L. | 登録日 | 2022-08-08 | 公開日 | 2022-10-19 | 最終更新日 | 2022-11-23 | 実験手法 | ELECTRON MICROSCOPY (3.45 Å) | 主引用文献 | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YQV
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![BU of 7yqv by Molmil](/molmil-images/mine/7yqv) | pH 5.5 SARS-CoV-2 BA.2.75 S Trimer (1 RBD Up) | 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, Spike glycoprotein | 著者 | Wang, L. | 登録日 | 2022-08-08 | 公開日 | 2022-10-19 | 最終更新日 | 2022-11-23 | 実験手法 | ELECTRON MICROSCOPY (3.58 Å) | 主引用文献 | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YR1
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![BU of 7yr1 by Molmil](/molmil-images/mine/7yr1) | SARS-CoV-2 BA.2.75 S Trimer in complex with XG2v024 | 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, Spike glycoprotein, ... | 著者 | Wang, L. | 登録日 | 2022-08-08 | 公開日 | 2022-10-19 | 最終更新日 | 2022-11-23 | 実験手法 | ELECTRON MICROSCOPY (3.62 Å) | 主引用文献 | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YR2
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![BU of 7yr2 by Molmil](/molmil-images/mine/7yr2) | SARS-CoV-2 BA.2.75 S Trimer in complex with ACE2(state1) | 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 | Wang, L. | 登録日 | 2022-08-08 | 公開日 | 2022-10-19 | 最終更新日 | 2022-11-23 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YQX
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![BU of 7yqx by Molmil](/molmil-images/mine/7yqx) | SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state1) | 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, S309 heavy chain, ... | 著者 | Wang, L. | 登録日 | 2022-08-08 | 公開日 | 2022-10-19 | 最終更新日 | 2022-11-23 | 実験手法 | ELECTRON MICROSCOPY (3.72 Å) | 主引用文献 | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YR3
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![BU of 7yr3 by Molmil](/molmil-images/mine/7yr3) | SARS-CoV-2 BA.2.75 S Trimer in complex with ACE2(state2) | 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 | Wang, L. | 登録日 | 2022-08-08 | 公開日 | 2022-10-19 | 最終更新日 | 2022-11-23 | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | 主引用文献 | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YQW
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![BU of 7yqw by Molmil](/molmil-images/mine/7yqw) | SARS-CoV-2 BA.2.75 S Trimer (3 RBD Down) | 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, Spike glycoprotein, ... | 著者 | Wang, L. | 登録日 | 2022-08-08 | 公開日 | 2022-10-19 | 最終更新日 | 2022-11-23 | 実験手法 | ELECTRON MICROSCOPY (3.51 Å) | 主引用文献 | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YQY
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![BU of 7yqy by Molmil](/molmil-images/mine/7yqy) | SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state2) | 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, S309 heavy chain, ... | 著者 | Wang, L. | 登録日 | 2022-08-08 | 公開日 | 2022-10-19 | 最終更新日 | 2022-11-23 | 実験手法 | ELECTRON MICROSCOPY (3.74 Å) | 主引用文献 | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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7YQZ
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![BU of 7yqz by Molmil](/molmil-images/mine/7yqz) | SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state3) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S309 heavy chain, S309 light chain, ... | 著者 | Wang, L. | 登録日 | 2022-08-08 | 公開日 | 2022-10-19 | 最終更新日 | 2022-11-23 | 実験手法 | ELECTRON MICROSCOPY (3.84 Å) | 主引用文献 | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75. Cell Host Microbe, 30, 2022
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8WRM
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![BU of 8wrm by Molmil](/molmil-images/mine/8wrm) | XBB.1.5 spike protein in complex with ACE2 | 分子名称: | Processed angiotensin-converting enzyme 2, Spike glycoprotein | 著者 | Feng, L.L, Feng, L.L. | 登録日 | 2023-10-15 | 公開日 | 2023-12-06 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (4.34 Å) | 主引用文献 | Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding. Plos Pathog., 19, 2023
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8WRH
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![BU of 8wrh by Molmil](/molmil-images/mine/8wrh) | SARS-CoV-2 XBB.1.5.70 in complex with ACE2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S2' | 著者 | Feng, L.L, Feng, L.L. | 登録日 | 2023-10-14 | 公開日 | 2023-11-29 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.08 Å) | 主引用文献 | Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding. Plos Pathog., 19, 2023
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