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7Y71
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SARS-CoV-2 spike glycoprotein trimer complexed with Fab fragment of anti-RBD antibody E7
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, Fab E7 heavy chain, ...
著者Chia, W.N, Tan, C.W, Tan, A.W.K, Young, B, Starr, T.N, Lopez, E, Fibriansah, G, Barr, J, Cheng, S, Yeoh, A.Y.Y, Yap, W.C, Lim, B.L, Ng, T.S, Sia, W.R, Zhu, F, Chen, S, Zhang, J, Greaney, A.J, Chen, M, Au, G.G, Paradkar, P, Peiris, M, Chung, A.W, Bloom, J.D, Lye, D, Lok, S.M, Wang, L.F.
登録日2022-06-21
公開日2023-08-02
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Potent pan huACE2-dependent sarbecovirus neutralizing monoclonal antibodies isolated from a BNT162b2-vaccinated SARS survivor.
Sci Adv, 9, 2023
7Y72
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SARS-CoV-2 spike glycoprotein trimer complexed with Fab fragment of anti-RBD antibody E7 (focused refinement on Fab-RBD interface)
分子名称: Fab E7 heavy chain, Fab E7 light chain, Spike glycoprotein
著者Chia, W.N, Tan, C.W, Tan, A.W.K, Young, B, Starr, T.N, Lopez, E, Fibriansah, G, Barr, J, Cheng, S, Yeoh, A.Y.Y, Yap, W.C, Lim, B.L, Ng, T.S, Sia, W.R, Zhu, F, Chen, S, Zhang, J, Greaney, A.J, Chen, M, Au, G.G, Paradkar, P, Peiris, M, Chung, A.W, Bloom, J.D, Lye, D, Lok, S.M, Wang, L.F.
登録日2022-06-21
公開日2023-08-02
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (4.03 Å)
主引用文献Potent pan huACE2-dependent sarbecovirus neutralizing monoclonal antibodies isolated from a BNT162b2-vaccinated SARS survivor.
Sci Adv, 9, 2023
3RKZ
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BU of 3rkz by Molmil
Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor capable of significantly decreasing tumor volume in a mouse xenograft model.
分子名称: (5R,6S)-3-(L-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide, Heat shock protein HSP 90-alpha
著者Zapf, C.W, Bloom, J.D, Li, Z, Dushin, R.G, Nittoli, T, Otteng, M, Nikitenko, A, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E, Olland, A, Johnson, M, Levin, J.I.
登録日2011-04-18
公開日2011-07-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5693 Å)
主引用文献Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor which significantly decreases tumor volume in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 21, 2011
3R91
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Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity.
分子名称: (6S)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, Heat shock protein HSP 90-alpha
著者Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Nittoli, T, Otteng, M, Ingalls, C, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E, Hu, Y, Levin, J.I.
登録日2011-03-24
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.579 Å)
主引用文献Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity.
Bioorg.Med.Chem.Lett., 21, 2011
3R92
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Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.
分子名称: (3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13H-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide, Heat shock protein HSP 90-alpha
著者Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E.M, Levin, J.I.
登録日2011-03-24
公開日2011-06-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5801 Å)
主引用文献Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 21, 2011
3QTF
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BU of 3qtf by Molmil
Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity
分子名称: (6S)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha
著者Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Nittoli, T, Ingalls, C, Sutherland, A.G, Sonye, J.P, Eid, C.N, Golas, J, Liu, H, Boschelli, F, Hu, Y, Vogan, E.M, Levin, J.I.
登録日2011-02-22
公開日2011-04-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5703 Å)
主引用文献Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity.
Bioorg.Med.Chem.Lett., 21, 2011
8V4F
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BU of 8v4f by Molmil
Model and map from local refinement of a CAB-A17 - Omicron Ba.1 spike complex
分子名称: CAB-A17 variable heavy-chain, CAB-A17 variable light chain, Spike protein S1
著者Hallberg, B.M, Das, H.
登録日2023-11-29
公開日2024-06-05
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Structural basis of broad SARS-CoV-2 cross-neutralization by affinity-matured public antibodies.
Cell Rep Med, 2024
7M7W
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BU of 7m7w by Molmil
Antibodies to the SARS-CoV-2 receptor-binding domain that maximize breadth and resistance to viral escape
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Monoclonal antibody S2H97 Fab heavy chain, Monoclonal antibody S2H97 Fab light chain, ...
著者Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
登録日2021-03-29
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
7R6X
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SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2E12 Fab, S309 Fab, and S304 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Monoclonal antibody S2E12 Fab heavy chain, ...
著者Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
登録日2021-06-23
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
7R7N
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BU of 7r7n by Molmil
SARS-CoV-2 spike in complex with the S2D106 neutralizing antibody Fab fragment (local refinement of the RBD and S2D106)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S2D106 FAB heavy chain, S2D106 FAB light chain, ...
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-06-25
公開日2021-07-21
最終更新日2021-09-15
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
7R6W
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BU of 7r6w by Molmil
SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2X35 Fab and S309 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Snell, G, Czudnochowski, N, Hernandez, P, Nix, J.C, Croll, T.I, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
登録日2021-06-23
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
7T3D
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BU of 7t3d by Molmil
CryoEM map of anchor 222-1C06 Fab and lateral patch 2B05 Fab binding H1 HA
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, 222-1C06 mAb heavy chain, ...
著者Han, J, Ward, A.B.
登録日2021-12-07
公開日2022-01-12
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Broadly neutralizing antibodies target a haemagglutinin anchor epitope.
Nature, 602, 2022
7TAT
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BU of 7tat by Molmil
SARS-CoV-2 spike in complex with the S2K146 neutralizing antibody Fab fragment (two receptor-binding domains open)
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, S2K146 Fab heavy chain, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2021-12-21
公開日2022-01-12
最終更新日2022-02-09
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Antibody-mediated broad sarbecovirus neutralization through ACE2 molecular mimicry.
Science, 375, 2022
7TAS
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BU of 7tas by Molmil
SARS-CoV-2 spike in complex with the S2K146 neutralizing antibody Fab fragment (local refinement of the RBD and S2K146)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S2K146 Fab heavy chain, S2K146 Fab light chain, ...
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-12-21
公開日2022-01-12
最終更新日2022-02-09
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Antibody-mediated broad sarbecovirus neutralization through ACE2 molecular mimicry.
Science, 375, 2022
8DF5
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BU of 8df5 by Molmil
SARS-CoV-2 Beta RBD in complex with human ACE2 and S304 Fab and S309 Fab
分子名称: 1,2-ETHANEDIOL, 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McCallum, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Snell, G, Veesler, D.
登録日2022-06-21
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Shifting mutational constraints in the SARS-CoV-2 receptor-binding domain during viral evolution.
Science, 377, 2022
7N65
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Complex structure of HIV superinfection Fab QA013.2 and BG505.SOSIP.664
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 gp41, ...
著者Mangala Prasad, V, Shipley, M.M, Overbaugh, J.M, Lee, K.K.
登録日2021-06-07
公開日2021-07-28
実験手法ELECTRON MICROSCOPY (4.15 Å)
主引用文献Functional development of a V3/glycan-specific broadly neutralizing antibody isolated from a case of HIV superinfection.
Elife, 10, 2021
7RA8
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BU of 7ra8 by Molmil
SARS-CoV-2 S glycoprotein in complex with S2X259 Fab
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, Heavy chain Fab S2X259 Fab variable domain, ...
著者Veesler, D, Tortorici, M.A, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-06-30
公開日2021-08-04
最終更新日2021-09-15
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Broad sarbecovirus neutralization by a human monoclonal antibody.
Nature, 597, 2021
7RAL
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BU of 7ral by Molmil
SARS-CoV-2 S bound to S2X259 Fab (local refinement of the RBD/S2X259 variable domains)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2X259 Fab heavy chain, S2X259 Fab light chain, ...
著者Veesler, D, Tortorici, M.A, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-07-01
公開日2021-08-04
最終更新日2021-09-15
実験手法ELECTRON MICROSCOPY
主引用文献Broad sarbecovirus neutralization by a human monoclonal antibody.
Nature, 597, 2021
5KUX
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BU of 5kux by Molmil
Designed influenza hemagglutinin binding protein HSB.2
分子名称: Designed influenza inhibitor protein HSB.2
著者Lee, P.S, Bernard, S.M, Wilson, I.A.
登録日2016-07-13
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Computational design of trimeric influenza-neutralizing proteins targeting the hemagglutinin receptor binding site.
Nat. Biotechnol., 35, 2017
5KUY
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BU of 5kuy by Molmil
Influenza hemagglutinin H3 A/Hong Kong/1/1968 in complex with designed inhibitor protein HSB.2A
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, Designed influenza inhibitor HSB.2A, ...
著者Bernard, S.M, Wilson, I.A.
登録日2016-07-13
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Computational design of trimeric influenza-neutralizing proteins targeting the hemagglutinin receptor binding site.
Nat. Biotechnol., 35, 2017
6OT1
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BU of 6ot1 by Molmil
Cryo-EM structure of vaccine-elicited antibody 0PV-b.01 in complex with HIV-1 Env BG505 DS-SOSIP and antibodies VRC03 and PGT122
分子名称: 0PV-b.01 heavy, 0PV-b.01 light, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gorman, J, Kwong, P.D.
登録日2019-05-02
公開日2019-08-07
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6OSY
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BU of 6osy by Molmil
Cryo-EM structure of vaccine-elicited antibody 0PV-a.01 in complex with HIV-1 Env BG505 DS-SOSIP and antibodies VRC03 and PGT122
分子名称: 0PV-a.01 Heavy, 0PV-a.01 Light, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gorman, J, Kwong, P.D.
登録日2019-05-02
公開日2019-07-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
7UKL
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BU of 7ukl by Molmil
Cryo-EM structure of Antibody 12-16 in complex with prefusion SARS-CoV-2 Spike glycoprotein
分子名称: 12-16 Fab Heavy Chain, 12-16 Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Casner, R.G, Shapiro, L.
登録日2022-04-01
公開日2023-10-04
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Antibodies targeting a quaternary site on SARS-CoV-2 spike glycoprotein prevent viral receptor engagement by conformational locking.
Immunity, 56, 2023
7UHB
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BU of 7uhb by Molmil
SARS-CoV-2 spike in complex with AHB2-2GS-SB175 (local refinement of the RBD and AHB2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Multivalent miniprotein inhibitor AHB2-2GS-SB175, Spike glycoprotein
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-03-26
公開日2022-06-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Multivalent designed proteins neutralize SARS-CoV-2 variants of concern and confer protection against infection in mice.
Sci Transl Med, 14, 2022
7UHC
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SARS-CoV-2 spike in complex with AHB2-2GS-SB175
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, Multivalent miniprotein inhibitor AHB2-2GS-SB175, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-03-26
公開日2022-06-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Multivalent designed proteins neutralize SARS-CoV-2 variants of concern and confer protection against infection in mice.
Sci Transl Med, 14, 2022

 

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