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8EQC
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BU of 8eqc by Molmil
Crystal structure of human anti-N1 neuraminidase 3H03 Fab
Descriptor: 3H03 Fab heavy chain, 3H03 Fab light chain, PHOSPHATE ION
Authors:Zhu, X, Wilson, I.A.
Deposit date:2022-10-07
Release date:2023-08-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo.
Immunity, 56, 2023
4O5L
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BU of 4o5l by Molmil
Crystal structure of broadly neutralizing antibody F045-092
Descriptor: Fab F045-092 heavy chain, Fab F045-092 light chain, PHOSPHATE ION
Authors:Lee, P.S, Wilson, I.A.
Deposit date:2013-12-19
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5045 Å)
Cite:Receptor mimicry by antibody F045-092 facilitates universal binding to the H3 subtype of influenza virus.
Nat Commun, 5, 2014
4O5I
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BU of 4o5i by Molmil
Crystal structure of broadly neutralizing antibody F045-092 in complex with A/Victoria/361/2011 (H3N2) influenza hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab F045-092 heavy chain, ...
Authors:Lee, P.S, Wilson, I.A.
Deposit date:2013-12-19
Release date:2014-04-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (6.501 Å)
Cite:Receptor mimicry by antibody F045-092 facilitates universal binding to the H3 subtype of influenza virus.
Nat Commun, 5, 2014
4MC5
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BU of 4mc5 by Molmil
Crystal structure of a subtype H18 hemagglutinin homologue from A/flat-faced bat/Peru/033/2010 (H18N11)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Stevens, J.
Deposit date:2013-08-21
Release date:2013-10-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.238 Å)
Cite:New world bats harbor diverse influenza a viruses.
Plos Pathog., 9, 2013
4MHJ
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BU of 4mhj by Molmil
Crystal structure of Fab H5M9 in complex with influenza virus hemagglutinin from A/goose/Guangdong/1/96 (H5N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, H5M9 antibody, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2013-08-29
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (6.98 Å)
Cite:A Unique and Conserved Neutralization Epitope in H5N1 Influenza Viruses Identified by an Antibody against the A/Goose/Guangdong/1/96 Hemagglutinin.
J.Virol., 87, 2013
4OXK
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BU of 4oxk by Molmil
Multiple binding modes of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA within a tetramer
Descriptor: 3,6,9,12,15-pentaoxaoctadecan-17-amine, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J.
Deposit date:2014-02-05
Release date:2014-04-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8429 Å)
Cite:A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
4OYR
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BU of 4oyr by Molmil
Competition of the small inhibitor PT91 with large fatty acyl substrate of the Mycobacterium tuberculosis enoyl-ACP reductase InhA by induced substrate-binding loop refolding
Descriptor: 2-(2-chloranylphenoxy)-5-hexyl-phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J.
Deposit date:2014-02-13
Release date:2014-04-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2995 Å)
Cite:A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
4OXY
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BU of 4oxy by Molmil
Substrate-binding loop movement with inhibitor PT10 in the tetrameric Mycobacterium tuberculosis enoyl-ACP reductase InhA
Descriptor: 5-hexyl-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Li, H.J, Sullivan, T.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J.
Deposit date:2014-02-09
Release date:2014-04-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3501 Å)
Cite:A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
4OXN
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BU of 4oxn by Molmil
Substrate-like binding mode of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA
Descriptor: 3,6,9,12,15-pentaoxaoctadecan-17-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ...
Authors:Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J.
Deposit date:2014-02-05
Release date:2014-04-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2926 Å)
Cite:A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
4N5J
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BU of 4n5j by Molmil
Crystal structure of hemagglutinin from an H7N9 influenza virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
Authors:Xu, R, Wilson, I.A.
Deposit date:2013-10-10
Release date:2013-12-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Preferential recognition of avian-like receptors in human influenza A H7N9 viruses.
Science, 342, 2013
4N64
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BU of 4n64 by Molmil
Crystal structure of hemagglutinin from an H7N9 influenza virus in complex with a biantennary glycan receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
Authors:Xu, R, Wilson, I.A.
Deposit date:2013-10-11
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7014 Å)
Cite:Preferential recognition of avian-like receptors in human influenza A H7N9 viruses.
Science, 342, 2013
4N5Y
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BU of 4n5y by Molmil
Crystal structure of H5 hemagglutinin mutant (N158D, N224K and Q226L) from the influenza virus A/Viet Nam/1203/2004 (H5N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2013-10-10
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1615 Å)
Cite:Hemagglutinin Receptor Specificity and Structural Analyses of Respiratory Droplet-Transmissible H5N1 Viruses.
J.Virol., 88, 2014
4N5Z
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BU of 4n5z by Molmil
Crystal structure of aerosol transmissible influenza H5 hemagglutinin mutant (N158D, N224K, Q226L and T318I) from the influenza virus A/Viet Nam/1203/2004 (H5N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2013-10-10
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9537 Å)
Cite:Hemagglutinin Receptor Specificity and Structural Analyses of Respiratory Droplet-Transmissible H5N1 Viruses.
J.Virol., 88, 2014
4NJ9
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BU of 4nj9 by Molmil
Crystal structure of Fab 8B10 in complex with MPTS
Descriptor: 8-methoxypyrene-1,3,6-trisulfonic acid, 8B10 heavy chain, 8B10 light chain, ...
Authors:Stanfield, R.L, Romesberg, F.E, Zimmermann, J, Wilson, I.A.
Deposit date:2013-11-08
Release date:2014-11-12
Last modified:2017-06-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Adaptive Mutations Alter Antibody Structure and Dynamics during Affinity Maturation.
Biochemistry, 54, 2015
8VQM
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BU of 8vqm by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R prime
Descriptor: (S~1~S,3R)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lin, T.H, Zhu, Y, Wilson, I.A.
Deposit date:2024-01-18
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8VQN
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BU of 8vqn by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R
Descriptor: (S~1~S,3R)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Lin, T.H, Zhu, Y, Wilson, I.A.
Deposit date:2024-01-18
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8VQL
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BU of 8vql by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S prime
Descriptor: (S~1~S,3S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lin, T.H, Zhu, Y, Wilson, I.A.
Deposit date:2024-01-18
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8VQQ
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BU of 8vqq by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
Authors:Lin, T.H, Zhu, Y, Wilson, I.A.
Deposit date:2024-01-19
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
7XOE
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BU of 7xoe by Molmil
Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Prefusion state)
Descriptor: 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,peptide
Authors:Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J.
Deposit date:2022-05-01
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants.
Sci Bull (Beijing), 68, 2023
7XOG
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BU of 7xog by Molmil
Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Postfusion state)
Descriptor: 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,peptide, ...
Authors:Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J.
Deposit date:2022-05-01
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants.
Sci Bull (Beijing), 68, 2023
5YJO
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BU of 5yjo by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 4
Descriptor: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
Authors:Baburajendran, N, Anna E, J.
Deposit date:2017-10-11
Release date:2018-10-17
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2.135 Å)
Cite:Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
7X83
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BU of 7x83 by Molmil
Cryo-EM structure of the TMEM106B fibril from normal elder
Descriptor: Transmembrane protein 106B
Authors:Xia, W.C, Zhao, Q.Y, Fan, Y, Sun, Y.P, Tao, Y.Q, Liu, C.
Deposit date:2022-03-11
Release date:2022-06-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Generic amyloid fibrillation of TMEM106B in patient with Parkinson's disease dementia and normal elders.
Cell Res., 32, 2022
7X84
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BU of 7x84 by Molmil
Cryo-EM structure of the TMEM106B fibril from Parkinson's disease dementia
Descriptor: Transmembrane protein 106B
Authors:Zhao, Q.Y, Xia, W.C, Fan, Y, Sun, Y.P, Tao, Y.Q, Liu, C.
Deposit date:2022-03-11
Release date:2022-06-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Generic amyloid fibrillation of TMEM106B in patient with Parkinson's disease dementia and normal elders.
Cell Res., 32, 2022
6IJL
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BU of 6ijl by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 5
Descriptor: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
Authors:Baburajendran, N, Joy, J.
Deposit date:2018-10-10
Release date:2019-08-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
7XO2
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BU of 7xo2 by Molmil
Minor polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a mid-to-late stage (mid-PD-4) Parkinson's disease patient
Descriptor: Alpha-synuclein
Authors:Fan, Y, Sun, Y.P, Wang, J, Liu, C.
Deposit date:2022-04-30
Release date:2022-11-30
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023

222624

數據於2024-07-17公開中

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