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8ERQ
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BU of 8erq by Molmil
SARS-CoV-2 BA.1 spike ectodomain trimer in complex with the S2X324 neutralizing antibody Fab fragment (local refinement of the RBD and S2X324)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2X324 Fab heavy chain, S2X324 Fab light chain, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-10-12
公開日2022-10-26
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Imprinted antibody responses against SARS-CoV-2 Omicron sublineages.
Science, 378, 2022
8S9G
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BU of 8s9g by Molmil
SARS-CoV-2 BN.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Fab Heavy chain, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2023-03-28
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
6LCV
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BU of 6lcv by Molmil
structure of Mutant S44P of maltooligosyltrehalose synthase from Arthrobacter ramosus
分子名称: MTSase
著者Chen, C, Su, L, Wu, L, Zhou, J, Wu, J.
登録日2019-11-20
公開日2020-11-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献structure of Mutant S44P of maltooligosyltrehalose synthase from Arthrobacter ramosus
To Be Published
6LCU
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BU of 6lcu by Molmil
structure of maltooligosyltrehalose synthase from Arthrobacter ramosus
分子名称: MTSase
著者Chen, C, Su, L, Wu, L, Zhou, J, Wu, J.
登録日2019-11-20
公開日2020-11-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献structure of maltooligosyltrehalose synthase from Arthrobacter ramosus
To Be Published
5KYJ
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BU of 5kyj by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
分子名称: (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole, Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta
著者Chen, G, McKeever, B.M.
登録日2016-07-21
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
5KYA
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BU of 5kya by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
分子名称: Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol
著者Chen, G, McKeever, B.M.
登録日2016-07-21
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
6U0D
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BU of 6u0d by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0590
分子名称: Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea
著者Leonard, P.G, Joseph, S.
登録日2019-08-14
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site
J. Med. Chem., 2022
4ERF
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BU of 4erf by Molmil
crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553)
分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
著者Huang, X.
登録日2012-04-20
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
4ERE
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BU of 4ere by Molmil
crystal structure of MDM2 (17-111) in complex with compound 23
分子名称: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid
著者Huang, X.
登録日2012-04-20
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
7LXW
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BU of 7lxw by Molmil
SARS-CoV-2 S/S2M11/S2X333 Local Refinement
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, S2X333 Fab Heavy Chain variable region, S2X333 Fab Light Chain variable region, ...
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-03-05
公開日2021-04-14
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
7LY0
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BU of 7ly0 by Molmil
SARS-CoV-2 S/S2M11/S2M28 Local Refinement
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2M28 Fab Heavy Chain variable region, S2M28 Fab Light Chain variable region, ...
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-03-05
公開日2021-04-14
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
7LXZ
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BU of 7lxz by Molmil
SARS-CoV-2 S/S2M11/S2L28 Global Refinement
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-03-05
公開日2021-04-14
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
7LY2
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BU of 7ly2 by Molmil
SARS-CoV-2 S/S2M11/S2M28 Global Refinement
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, S2M11 Fab Heavy Chain variable region, ...
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-03-05
公開日2021-04-14
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
7LXX
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BU of 7lxx by Molmil
SARS-CoV-2 S/S2M11/S2L28 Local Refinement
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S2L28 Fab Heavy Chain variable region, ...
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-03-05
公開日2021-04-14
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
7LXY
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BU of 7lxy by Molmil
SARS-CoV-2 S/S2M11/S2X333 Global Refinement
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, S2M11 Fab Heavy Chain variable region, ...
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-03-05
公開日2021-04-14
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
7LY3
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BU of 7ly3 by Molmil
Crystal structure of SARS-CoV-2 S NTD bound to S2M28 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2M28 Fab Heavy Chain, S2M28 Fab Light Chain, ...
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-03-05
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
6MBB
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BU of 6mbb by Molmil
Human Bfl-1 in complex with the designed peptide dF1
分子名称: Bcl-2-related protein A1, dF1
著者Jenson, J.M, Keating, A.E.
登録日2018-08-29
公開日2019-03-06
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
7M10
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BU of 7m10 by Molmil
PHF2 PHD Domain Complexed with Peptide From N-terminus of VRK1
分子名称: FORMIC ACID, Lysine-specific demethylase PHF2, Serine/threonine-protein kinase VRK1 N-terminus peptide, ...
著者Horton, J.R, Cheng, X.
登録日2021-03-11
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Histone H3 N-terminal mimicry drives a novel network of methyl-effector interactions.
Biochem.J., 478, 2021
5DLK
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BU of 5dlk by Molmil
The crystal structure of CT mutant
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, TqaA
著者Zhang, J.R, Tang, Y, Zhou, J.H.
登録日2015-09-06
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
7K43
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SARS-CoV-2 spike in complex with the S2M11 neutralizing antibody Fab fragment
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, S2M11 Fab fragment (heavy chain), ...
著者Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-14
公開日2020-10-07
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms.
Science, 370, 2020
5DIJ
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BU of 5dij by Molmil
The crystal structure of CT
分子名称: CHLORIDE ION, GLYCEROL, TqaA
著者Zhang, J.R, Tang, Y, Zhou, J.H.
登録日2015-09-01
公開日2016-09-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
7WH8
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BU of 7wh8 by Molmil
SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (focused refinement on Fab-RBD)
分子名称: Spike glycoprotein, antibody ZB8 heavy chain, antibody ZB8 light chain
著者Zeng, J.W.
登録日2021-12-30
公開日2023-01-18
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
7WHD
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BU of 7whd by Molmil
SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (2u1d)
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Zeng, J.W, Wang, X.W, Ge, J.W, Wang, Z.Y.
登録日2021-12-30
公開日2023-01-18
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
5EJD
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BU of 5ejd by Molmil
The crystal structure of holo T3CT
分子名称: 4'-PHOSPHOPANTETHEINE, GLYCEROL, TqaA
著者Zhang, J.R, Tang, Y, Zhou, J.H.
登録日2015-11-01
公開日2016-10-19
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
5EGF
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BU of 5egf by Molmil
The crystal structure of SeMet-CT
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, TqaA
著者Zhang, J.R, Tang, Y, Zhou, J.H.
登録日2015-10-27
公開日2016-10-19
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016

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