3MJW
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![BU of 3mjw by Molmil](/molmil-images/mine/3mjw) | PI3 Kinase gamma with a benzofuranone inhibitor | Descriptor: | (2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Bard, J, Svenson, K. | Deposit date: | 2010-04-13 | Release date: | 2010-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | 5-Ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer. Bioorg.Med.Chem.Lett., 20, 2010
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5H21
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![BU of 5h21 by Molmil](/molmil-images/mine/5h21) | Trimethoxy-ring inhibitor in complex with the first bromodomain of BRD4 | Descriptor: | 3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide, Bromodomain-containing protein 4 | Authors: | Zhang, H, Luo, C. | Deposit date: | 2016-10-13 | Release date: | 2017-07-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.591 Å) | Cite: | Discovery of novel trimethoxy-ring BRD4 bromodomain inhibitors: AlphaScreen assay, crystallography and cell-based assay. Medchemcomm, 8, 2017
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7F02
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![BU of 7f02 by Molmil](/molmil-images/mine/7f02) | Cytochrome c-type biogenesis protein CcmABCD from E. coli | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ... | Authors: | Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P. | Deposit date: | 2021-06-03 | Release date: | 2022-11-09 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Structures of the CcmABCD heme release complex at multiple states. Nat Commun, 13, 2022
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7F03
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![BU of 7f03 by Molmil](/molmil-images/mine/7f03) | Cytochrome c-type biogenesis protein CcmABCD from E. coli in complex with ANP | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ... | Authors: | Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P. | Deposit date: | 2021-06-03 | Release date: | 2022-11-09 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Structures of the CcmABCD heme release complex at multiple states. Nat Commun, 13, 2022
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7F04
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![BU of 7f04 by Molmil](/molmil-images/mine/7f04) | Cytochrome c-type biogenesis protein CcmABCD from E. coli in complex with Heme and ATP. | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, ADENOSINE-5'-TRIPHOSPHATE, Cytochrome c biogenesis ATP-binding export protein CcmA, ... | Authors: | Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P. | Deposit date: | 2021-06-03 | Release date: | 2022-11-09 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Structures of the CcmABCD heme release complex at multiple states. Nat Commun, 13, 2022
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5GUT
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![BU of 5gut by Molmil](/molmil-images/mine/5gut) | The crystal structure of mouse DNMT1 (731-1602) mutant - N1248A | Descriptor: | DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | Authors: | Chen, S.J, Ye, F. | Deposit date: | 2016-08-31 | Release date: | 2017-09-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1. ACS Chem. Biol., 13, 2018
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3DP2
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![BU of 3dp2 by Molmil](/molmil-images/mine/3dp2) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3j | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ... | Authors: | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | Deposit date: | 2008-07-07 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. J.Med.Chem., 52, 2009
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3DOZ
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![BU of 3doz by Molmil](/molmil-images/mine/3doz) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3k | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ... | Authors: | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | Deposit date: | 2008-07-07 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. J.Med.Chem., 52, 2009
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3DOY
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![BU of 3doy by Molmil](/molmil-images/mine/3doy) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3i | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ... | Authors: | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | Deposit date: | 2008-07-07 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. J.Med.Chem., 52, 2009
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3DP3
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![BU of 3dp3 by Molmil](/molmil-images/mine/3dp3) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3q | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ... | Authors: | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | Deposit date: | 2008-07-07 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. J.Med.Chem., 52, 2009
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5GUV
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![BU of 5guv by Molmil](/molmil-images/mine/5guv) | The crystal structure of mouse DNMT1 (731-1602) mutant - R1279D | Descriptor: | DNA (cytosine-5)-methyltransferase 1, ZINC ION | Authors: | Ye, F, Chen, S.J. | Deposit date: | 2016-08-31 | Release date: | 2017-08-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.078 Å) | Cite: | Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1. ACS Chem. Biol., 13, 2018
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3DP1
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![BU of 3dp1 by Molmil](/molmil-images/mine/3dp1) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3n | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ... | Authors: | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | Deposit date: | 2008-07-07 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. J.Med.Chem., 52, 2009
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3DP0
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![BU of 3dp0 by Molmil](/molmil-images/mine/3dp0) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3m | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ... | Authors: | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | Deposit date: | 2008-07-07 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. J.Med.Chem., 52, 2009
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8IV5
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![BU of 8iv5 by Molmil](/molmil-images/mine/8iv5) | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 1C4 (local refinement) | Descriptor: | Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ... | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2023-03-26 | Release date: | 2023-08-16 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD. Protein Cell, 15, 2024
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8IV8
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![BU of 8iv8 by Molmil](/molmil-images/mine/8iv8) | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 3E2 and 1C4 (local refinement) | Descriptor: | Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ... | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2023-03-26 | Release date: | 2023-08-16 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.92 Å) | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD. Protein Cell, 15, 2024
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8IVA
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![BU of 8iva by Molmil](/molmil-images/mine/8iva) | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs XMA01 and 3E2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ... | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2023-03-26 | Release date: | 2023-08-16 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.95 Å) | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD. Protein Cell, 15, 2024
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8IV4
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![BU of 8iv4 by Molmil](/molmil-images/mine/8iv4) | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 3E2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ... | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2023-03-26 | Release date: | 2023-08-16 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD. Protein Cell, 15, 2024
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7KL9
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![BU of 7kl9 by Molmil](/molmil-images/mine/7kl9) | |
7VFJ
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![BU of 7vfj by Molmil](/molmil-images/mine/7vfj) | Cytochrome c-type biogenesis protein CcmABCD | Descriptor: | Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, Heme exporter protein C, ... | Authors: | Zhu, J.P, Zhang, K, Li, J, Zheng, W, Gu, M. | Deposit date: | 2021-09-13 | Release date: | 2022-11-09 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | Structures of the CcmABCD heme release complex at multiple states. Nat Commun, 13, 2022
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7VFP
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![BU of 7vfp by Molmil](/molmil-images/mine/7vfp) | Cytochrome c-type biogenesis protein CcmABCD from E. coli in complex with heme and single ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ... | Authors: | Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P. | Deposit date: | 2021-09-13 | Release date: | 2022-11-09 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.03 Å) | Cite: | Structures of the CcmABCD heme release complex at multiple states. Nat Commun, 13, 2022
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1IIL
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![BU of 1iil by Molmil](/molmil-images/mine/1iil) | CRYSTAL STRUCTURE OF PRO253ARG APERT MUTANT FGF RECEPTOR 2 (FGFR2) IN COMPLEX WITH FGF2 | Descriptor: | FIBROBLAST GROWTH FACTOR RECEPTOR 2, HEPARIN-BINDING GROWTH FACTOR 2 | Authors: | Ibrahimi, O.A, Eliseenkova, A.V, Plotnikov, A.N, Ornitz, D.M, Mohammadi, M. | Deposit date: | 2001-04-23 | Release date: | 2001-05-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for fibroblast growth factor receptor 2 activation in Apert syndrome. Proc.Natl.Acad.Sci.USA, 98, 2001
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1II4
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![BU of 1ii4 by Molmil](/molmil-images/mine/1ii4) | CRYSTAL STRUCTURE OF SER252TRP APERT MUTANT FGF RECEPTOR 2 (FGFR2) IN COMPLEX WITH FGF2 | Descriptor: | FIBROBLAST GROWTH FACTOR RECEPTOR 2, HEPARIN-BINDING GROWTH FACTOR 2 | Authors: | Ibrahimi, O.A, Eliseenkova, A.V, Plotnikov, A.N, Ornitz, D.M, Mohammadi, M. | Deposit date: | 2001-04-20 | Release date: | 2001-05-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for fibroblast growth factor receptor 2 activation in Apert syndrome. Proc.Natl.Acad.Sci.USA, 98, 2001
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4JCA
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![BU of 4jca by Molmil](/molmil-images/mine/4jca) | Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (NESG) Target OR273 | Descriptor: | CITRIC ACID, RUBIDIUM ION, serine hydrolase | Authors: | Kuzin, A.P, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-02-21 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.411 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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4JLL
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![BU of 4jll by Molmil](/molmil-images/mine/4jll) | Crystal Structure of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1 covalently bound with FP-alkyne, Northeast Structural Genomics Consortium (NESG) Target OR273 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-03-12 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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4K1K
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![BU of 4k1k by Molmil](/molmil-images/mine/4k1k) | Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wu, Y, Gao, F, Qi, J.X, Gao, G.F. | Deposit date: | 2013-04-05 | Release date: | 2013-06-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding Sci Rep, 3, 2013
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