6LDQ
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6LJP
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![BU of 6ljp by Molmil](/molmil-images/mine/6ljp) | Crystal structure of human galectin-16 | 分子名称: | Galectin-16 | 著者 | Su, J. | 登録日 | 2019-12-17 | 公開日 | 2020-10-14 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity. Biochim Biophys Acta Gen Subj, 1865, 2020
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6LJQ
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![BU of 6ljq by Molmil](/molmil-images/mine/6ljq) | human galectin-16 R55N | 分子名称: | Galectin-16, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | 著者 | Su, J. | 登録日 | 2019-12-17 | 公開日 | 2020-10-14 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity. Biochim Biophys Acta Gen Subj, 1865, 2020
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7BZ9
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![BU of 7bz9 by Molmil](/molmil-images/mine/7bz9) | Template lasso peptide C24 mutant I4A | 分子名称: | lasso peptide | 著者 | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | 登録日 | 2020-04-27 | 公開日 | 2021-04-28 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications. Chem Sci, 12, 2021
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7BZA
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![BU of 7bza by Molmil](/molmil-images/mine/7bza) | Template lasso peptide C24 | 分子名称: | lasso peptide | 著者 | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | 登録日 | 2020-04-27 | 公開日 | 2021-04-28 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications. Chem Sci, 12, 2021
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7BZ8
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![BU of 7bz8 by Molmil](/molmil-images/mine/7bz8) | Template lasso peptide C24 mutant V3A | 分子名称: | lasso peptide | 著者 | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | 登録日 | 2020-04-27 | 公開日 | 2021-04-28 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications. Chem Sci, 12, 2021
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6LJR
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![BU of 6ljr by Molmil](/molmil-images/mine/6ljr) | human galectin-16 R55N/H57R | 分子名称: | Galectin-16, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | 著者 | Su, J. | 登録日 | 2019-12-17 | 公開日 | 2020-10-14 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity. Biochim Biophys Acta Gen Subj, 1865, 2020
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7CU6
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![BU of 7cu6 by Molmil](/molmil-images/mine/7cu6) | lasso peptide C24 mutant - A11V2C | 分子名称: | lasso peptide C24_A11V2C | 著者 | Ma, M, Liu, X.H. | 登録日 | 2020-08-21 | 公開日 | 2021-08-25 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications. Chem Sci, 12, 2021
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7DK3
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![BU of 7dk3 by Molmil](/molmil-images/mine/7dk3) | SARS-CoV-2 S trimer, S-open | 分子名称: | Spike glycoprotein | 著者 | Xu, C, Cong, Y. | 登録日 | 2020-11-23 | 公開日 | 2020-12-16 | 最終更新日 | 2021-02-17 | 実験手法 | ELECTRON MICROSCOPY (6 Å) | 主引用文献 | Conformational dynamics of SARS-CoV-2 trimeric spike glycoprotein in complex with receptor ACE2 revealed by cryo-EM. Sci Adv, 7, 2021
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7VX2
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![BU of 7vx2 by Molmil](/molmil-images/mine/7vx2) | Crystal Structure of the Y53F/N55A/I80F/L114V/I116V mutant of LEH | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D. | 登録日 | 2021-11-12 | 公開日 | 2023-01-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.485 Å) | 主引用文献 | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles. Nat Commun, 13, 2022
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7VWD
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![BU of 7vwd by Molmil](/molmil-images/mine/7vwd) | Crystal Structure of the Y53F/N55A mutant of LEH | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D. | 登録日 | 2021-11-10 | 公開日 | 2023-01-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.153 Å) | 主引用文献 | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles. Nat Commun, 13, 2022
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7VWM
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![BU of 7vwm by Molmil](/molmil-images/mine/7vwm) | Crystal Structure of the Y53F/N55A/I116V mutant of LEH | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D. | 登録日 | 2021-11-11 | 公開日 | 2023-01-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles. Nat Commun, 13, 2022
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7DF4
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![BU of 7df4 by Molmil](/molmil-images/mine/7df4) | SARS-CoV-2 S-ACE2 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, Angiotensin-converting enzyme 2, ... | 著者 | Cong, X, Yao, C. | 登録日 | 2020-11-06 | 公開日 | 2020-12-16 | 最終更新日 | 2021-02-17 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Conformational dynamics of SARS-CoV-2 trimeric spike glycoprotein in complex with receptor ACE2 revealed by cryo-EM. Sci Adv, 7, 2021
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7DF3
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![BU of 7df3 by Molmil](/molmil-images/mine/7df3) | SARS-CoV-2 S trimer, S-closed | 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 | Cong, X, Yao, C. | 登録日 | 2020-11-06 | 公開日 | 2020-12-16 | 最終更新日 | 2021-02-17 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Conformational dynamics of SARS-CoV-2 trimeric spike glycoprotein in complex with receptor ACE2 revealed by cryo-EM. Sci Adv, 7, 2021
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8UTE
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![BU of 8ute by Molmil](/molmil-images/mine/8ute) | Structure of SARS-Cov2 3CLPro in complex with Compound 27 | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | 著者 | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | 登録日 | 2023-10-31 | 公開日 | 2024-03-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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7CYA
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![BU of 7cya by Molmil](/molmil-images/mine/7cya) | Saimiri boliviensis boliviensis galectin-13 with lactose | 分子名称: | Galectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | 著者 | Su, J. | 登録日 | 2020-09-03 | 公開日 | 2021-06-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Actin binding to galectin-13/placental protein-13 occurs independently of the galectin canonical ligand-binding site. Glycobiology, 31, 2021
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7CYB
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6L6R
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![BU of 6l6r by Molmil](/molmil-images/mine/6l6r) | Crystal structure of LRP6 E1E2-SOST 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, ACETATE ION, ... | 著者 | Choi, H.-J, Kim, J. | 登録日 | 2019-10-29 | 公開日 | 2020-10-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | 主引用文献 | Sclerostin inhibits Wnt signaling through tandem interaction with two LRP6 ectodomains. Nat Commun, 11, 2020
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7C02
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![BU of 7c02 by Molmil](/molmil-images/mine/7c02) | Crystal structure of dimeric MERS-CoV receptor binding domain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Dai, L, Qi, J, Gao, G.F. | 登録日 | 2020-04-30 | 公開日 | 2020-07-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | A Universal Design of Betacoronavirus Vaccines against COVID-19, MERS, and SARS. Cell, 182, 2020
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7WVO
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![BU of 7wvo by Molmil](/molmil-images/mine/7wvo) | SARS-CoV-2 Omicron S-open-2 | 分子名称: | Spike glycoprotein | 著者 | Li, J.W, Cong, Y. | 登録日 | 2022-02-10 | 公開日 | 2022-03-02 | 最終更新日 | 2022-05-04 | 実験手法 | ELECTRON MICROSCOPY (3.41 Å) | 主引用文献 | Molecular basis of receptor binding and antibody neutralization of Omicron. Nature, 604, 2022
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7WVN
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![BU of 7wvn by Molmil](/molmil-images/mine/7wvn) | SARS-CoV-2 Omicron S-open | 分子名称: | Spike glycoprotein | 著者 | Li, J.W, Cong, Y. | 登録日 | 2022-02-10 | 公開日 | 2022-03-02 | 最終更新日 | 2022-05-04 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Molecular basis of receptor binding and antibody neutralization of Omicron. Nature, 604, 2022
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7O70
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![BU of 7o70 by Molmil](/molmil-images/mine/7o70) | KRasG12C ligand complex | 分子名称: | 1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2, CALCIUM ION, GTPase KRas, ... | 著者 | Phillips, C. | 登録日 | 2021-04-12 | 公開日 | 2022-04-20 | 最終更新日 | 2022-05-25 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C . J.Med.Chem., 65, 2022
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7O83
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![BU of 7o83 by Molmil](/molmil-images/mine/7o83) | KRasG12C ligand complex | 分子名称: | 1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Phillips, C, Breed, J. | 登録日 | 2021-04-14 | 公開日 | 2022-04-20 | 最終更新日 | 2022-05-25 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C . J.Med.Chem., 65, 2022
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7OO7
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![BU of 7oo7 by Molmil](/molmil-images/mine/7oo7) | KRasG12C ligand complex | 分子名称: | 1-[(6aS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one, CALCIUM ION, GTPase KRas, ... | 著者 | Phillips, C. | 登録日 | 2021-05-26 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C . J.Med.Chem., 65, 2022
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6LT8
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![BU of 6lt8 by Molmil](/molmil-images/mine/6lt8) | HSP90 in complex with KW-2478 | 分子名称: | 2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{N},~{N}-bis(2-methoxyethyl)ethanamide, Heat shock protein HSP 90-alpha | 著者 | Cao, H.L. | 登録日 | 2020-01-21 | 公開日 | 2021-01-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.593 Å) | 主引用文献 | Anti-NSCLC activity in vitro of Hsp90 N inhibitor KW-2478 and complex crystal structure determination of Hsp90 N -KW-2478. J.Struct.Biol., 213, 2021
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