8DGB
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![BU of 8dgb by Molmil](/molmil-images/mine/8dgb) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Q192T Mutant in Complex with Inhibitor GC376 | 分子名称: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | 著者 | Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y. | 登録日 | 2022-06-23 | 公開日 | 2022-07-13 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | 主引用文献 | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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8DD1
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![BU of 8dd1 by Molmil](/molmil-images/mine/8dd1) | SARS-CoV-2 Main Protease (Mpro) H164N Mutant in Complex with Inhibitor GC376 | 分子名称: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | 著者 | Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y. | 登録日 | 2022-06-17 | 公開日 | 2022-07-13 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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8DFN
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![BU of 8dfn by Molmil](/molmil-images/mine/8dfn) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H164N Mutant | 分子名称: | 3C-like proteinase nsp5 | 著者 | Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y. | 登録日 | 2022-06-22 | 公開日 | 2022-07-13 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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8DCZ
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![BU of 8dcz by Molmil](/molmil-images/mine/8dcz) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) M165Y Mutant in Complex with Nirmatrelvir | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | 登録日 | 2022-06-17 | 公開日 | 2022-07-13 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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8DFE
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![BU of 8dfe by Molmil](/molmil-images/mine/8dfe) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant | 分子名称: | 3C-like proteinase nsp5 | 著者 | Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y. | 登録日 | 2022-06-22 | 公開日 | 2022-07-13 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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7VYV
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![BU of 7vyv by Molmil](/molmil-images/mine/7vyv) | Cryo-EM structure of Depo32, a Klebsiella phage depolymerase targets the K2 serotype K. pneumoniae | 分子名称: | Depolymerase | 著者 | Cai, R, Ren, Z, Zhao, R, Wang, X, Guo, Z, Du, R, Han, W, Ru, H, Gu, J. | 登録日 | 2021-11-15 | 公開日 | 2023-08-30 | 最終更新日 | 2024-09-11 | 実験手法 | ELECTRON MICROSCOPY (2.32 Å) | 主引用文献 | Structural biology and functional features of phage-derived depolymerase Depo32 on Klebsiella pneumoniae with K2 serotype capsular polysaccharides. Microbiol Spectr, 11, 2023
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7VZ3
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![BU of 7vz3 by Molmil](/molmil-images/mine/7vz3) | Cryo-EM structure of Depo32, a Klebsiella phage depolymerase targets the K2 serotype K. pneumoniae | 分子名称: | Depolymerase | 著者 | Cai, R, Ren, Z, Zhao, R, Wang, X, Guo, Z, Du, R, Han, W, Ru, H, Gu, J. | 登録日 | 2021-11-15 | 公開日 | 2023-08-30 | 最終更新日 | 2024-09-11 | 実験手法 | ELECTRON MICROSCOPY (2.46 Å) | 主引用文献 | Structural biology and functional features of phage-derived depolymerase Depo32 on Klebsiella pneumoniae with K2 serotype capsular polysaccharides. Microbiol Spectr, 11, 2023
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6XRN
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![BU of 6xrn by Molmil](/molmil-images/mine/6xrn) | Crystal structure of human PI3K-gamma in complex with Compound 17 | 分子名称: | 2-amino-5-{2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-N-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Walker, N.P, Jeffrey, J.L. | 登録日 | 2020-07-13 | 公開日 | 2021-11-03 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | 主引用文献 | Design, Synthesis, and Structure-Activity Relationship Optimization of Pyrazolopyrimidine Amide Inhibitors of Phosphoinositide 3-Kinase gamma (PI3K gamma ). J.Med.Chem., 65, 2022
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8GQ6
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![BU of 8gq6 by Molmil](/molmil-images/mine/8gq6) | Cryo-EM Structure of the KBTBD2-CUL3-Rbx1 dimeric complex | 分子名称: | Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ... | 著者 | Sun, L, Chen, Z, Hu, Y, Mao, Q. | 登録日 | 2022-08-29 | 公開日 | 2023-09-06 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.96 Å) | 主引用文献 | Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2. Nat.Struct.Mol.Biol., 31, 2024
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6XRL
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![BU of 6xrl by Molmil](/molmil-images/mine/6xrl) | Crystal structure of human PI3K-gamma in complex with inhibitor IPI-549 | 分子名称: | 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Walker, N.P, Jeffrey, J.L. | 登録日 | 2020-07-13 | 公開日 | 2020-09-16 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Discovery of Potent and Selective PI3K gamma Inhibitors. J.Med.Chem., 63, 2020
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1D6E
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![BU of 1d6e by Molmil](/molmil-images/mine/1d6e) | CRYSTAL STRUCTURE OF HLA-DR4 COMPLEX WITH PEPTIDOMIMETIC AND SEB | 分子名称: | ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, PEPTIDOMIMETIC INHIBITOR | 著者 | Swain, A, Crowther, R, Kammlott, U. | 登録日 | 1999-10-13 | 公開日 | 2000-06-28 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures. J.Med.Chem., 43, 2000
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1W66
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![BU of 1w66 by Molmil](/molmil-images/mine/1w66) | |
8DD9
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![BU of 8dd9 by Molmil](/molmil-images/mine/8dd9) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant in Complex with Inhibitor GC376 | 分子名称: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | 著者 | Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y. | 登録日 | 2022-06-17 | 公開日 | 2022-07-13 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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6XRM
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![BU of 6xrm by Molmil](/molmil-images/mine/6xrm) | Crystal structure of human PI3K-gamma in complex with Compound 4 | 分子名称: | 5-[2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Walker, N.P, Jeffrey, J.L. | 登録日 | 2020-07-13 | 公開日 | 2020-09-16 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Discovery of Potent and Selective PI3K gamma Inhibitors. J.Med.Chem., 63, 2020
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7Y9N
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![BU of 7y9n by Molmil](/molmil-images/mine/7y9n) | an engineered 5-helix bundle derived from SARS-CoV-2 S2 in complex with HR2P | 分子名称: | SARS-coV-2 S2 subunit, Spike protein S2',5HB-H2 | 著者 | Lu, G.W, Lin, X, Guo, L.Y, Lin, S. | 登録日 | 2022-06-25 | 公開日 | 2022-08-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.885 Å) | 主引用文献 | An engineered 5-helix bundle derived from SARS-CoV-2 S2 pre-binds sarbecoviral spike at both serological- and endosomal-pH to inhibit virus entry. Emerg Microbes Infect, 11, 2022
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6W5V
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![BU of 6w5v by Molmil](/molmil-images/mine/6w5v) | NPC1-NPC2 complex structure at pH 5.5 | 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, CHOLESTEROL, ... | 著者 | Yan, N, Qian, H.W, Wu, X.L. | 登録日 | 2020-03-13 | 公開日 | 2020-06-17 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2. Cell, 182, 2020
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7DK6
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![BU of 7dk6 by Molmil](/molmil-images/mine/7dk6) | |
7DK5
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![BU of 7dk5 by Molmil](/molmil-images/mine/7dk5) | |
7DCC
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![BU of 7dcc by Molmil](/molmil-images/mine/7dcc) | |
6W5R
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![BU of 6w5r by Molmil](/molmil-images/mine/6w5r) | NPC1 structure in Nanodisc | 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, CHOLESTEROL, ... | 著者 | Yan, N, Qian, H.W, Wu, X.L. | 登録日 | 2020-03-13 | 公開日 | 2020-06-17 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2. Cell, 182, 2020
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7X8X
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![BU of 7x8x by Molmil](/molmil-images/mine/7x8x) | structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease | 分子名称: | 4-[1-[3-[4-[(4-fluoranyl-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-quinazolin-7-yl]oxypropyl]piperidin-4-yl]benzamide, 4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit 1, ... | 著者 | Bao, R, Luo, Y.F, Zhu, Y.B, Yang, Y, Zhou, Y.Z. | 登録日 | 2022-03-15 | 公開日 | 2023-04-12 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (3.24 Å) | 主引用文献 | Discovery and Mechanistic Study of Novel Mycobacterium tuberculosis ClpP1P2 Inhibitors J.Med.Chem., 66, 2023
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5JNX
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![BU of 5jnx by Molmil](/molmil-images/mine/5jnx) | The 6.6 A cryo-EM structure of the full-length human NPC1 in complex with the cleaved glycoprotein of Ebola virus | 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, Envelope glycoprotein, ... | 著者 | Gong, X, Qian, H.W, Zhou, X.H, Wu, J.P, Wan, T, Shi, Y, Gao, F, Zhou, Q, Yan, N. | 登録日 | 2016-05-01 | 公開日 | 2016-06-15 | 最終更新日 | 2020-08-05 | 実験手法 | ELECTRON MICROSCOPY (6.56 Å) | 主引用文献 | Structural Insights into the Niemann-Pick C1 (NPC1)-Mediated Cholesterol Transfer and Ebola Infection Cell, 165, 2016
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6W5U
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![BU of 6w5u by Molmil](/molmil-images/mine/6w5u) | NPC1 structure in GDN micelles at pH 5.5, conformation b | 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, CHOLESTEROL, ... | 著者 | Yan, N, Qian, H.W, Wu, X.L. | 登録日 | 2020-03-13 | 公開日 | 2020-06-17 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2. Cell, 182, 2020
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8H3F
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![BU of 8h3f by Molmil](/molmil-images/mine/8h3f) | Cryo-EM Structure of the KBTBD2-CRL3-CSN complex | 分子名称: | COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ... | 著者 | Hu, Y, Mao, Q, Chen, Z, Sun, L. | 登録日 | 2022-10-08 | 公開日 | 2023-10-11 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (6.73 Å) | 主引用文献 | Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2. Nat.Struct.Mol.Biol., 31, 2024
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7DDN
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![BU of 7ddn by Molmil](/molmil-images/mine/7ddn) | SARS-Cov2 S protein at open state | 分子名称: | Spike glycoprotein | 著者 | Cong, Y, Liu, C.X. | 登録日 | 2020-10-29 | 公開日 | 2020-11-25 | 最終更新日 | 2021-01-27 | 実験手法 | ELECTRON MICROSCOPY (6.3 Å) | 主引用文献 | Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections. Nat Commun, 12, 2021
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