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8IRO
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BU of 8iro by Molmil
trans-Zeatin bound state of Arabidopsis AZG1 at pH7.4
分子名称: (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Adenine/guanine permease AZG1
著者Xu, L, Guo, J.
登録日2023-03-19
公開日2024-01-17
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structures and mechanisms of the Arabidopsis cytokinin transporter AZG1.
Nat.Plants, 10, 2024
7XB1
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BU of 7xb1 by Molmil
Crystal structure of Omicron BA.3 RBD complexed with hACE2
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, Angiotensin-converting enzyme 2, ...
著者Li, W, Meng, Y, Liao, H.
登録日2022-03-19
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
7WTK
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BU of 7wtk by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab XGv286
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 of XGv286, ...
著者Wang, X, Fu, W.
登録日2022-02-04
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7LXP
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BU of 7lxp by Molmil
Collagen Mimetic Peptide with an Xaa-position Aza-proline
分子名称: Collagen mimetic peptide
著者Melton, S.D, Harris, T, Chenoweth, D.M.
登録日2021-03-04
公開日2022-03-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Collagen Mimetic Peptide with an Xaa-position Aza-proline
To Be Published
7WTG
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BU of 7wtg by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv051
分子名称: Heavy chain of XGv051, Light chain of XGv051, Spike protein S1
著者Wang, X, Fu, W.
登録日2022-02-04
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7WTH
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BU of 7wth by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv264
分子名称: Heavy chain of XGv264, Light chain of XGv264, Spike protein S1
著者Wang, X, Fu, W.
登録日2022-02-04
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7LXQ
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BU of 7lxq by Molmil
Collagen Mimetic Peptide with a Yaa-position Aza-proline
分子名称: Collagen mimetic peptide
著者Melton, S.D, Harris, T, Chenoweth, D.M.
登録日2021-03-04
公開日2022-03-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Collagen Mimetic Peptide with a Yaa-position Aza-proline
To Be Published
7WTJ
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BU of 7wtj by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv286
分子名称: Heavy chain of XGv286, Light chain of XGv286, Spike protein S1
著者Wang, X, Fu, W.
登録日2022-02-04
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
3W8H
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BU of 3w8h by Molmil
Crystal structure of CCM3 in complex with the C-terminal regulatory domain of STK25
分子名称: Programmed cell death protein 10, SULFATE ION, Serine/threonine-protein kinase 25
著者Xu, X, Wang, D.C, Ding, J.
登録日2013-03-13
公開日2013-07-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.426 Å)
主引用文献Structural Basis for the Unique Heterodimeric Assembly between Cerebral Cavernous Malformation 3 and Germinal Center Kinase III.
Structure, 21, 2013
7WTF
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BU of 7wtf by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab XGv051
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 of XGv051, ...
著者Wang, X, Fu, W.
登録日2022-02-04
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7WTI
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BU of 7wti by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab XGv264
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of XGv264, Light chain of XGv264, ...
著者Wang, X, Fu, W.
登録日2022-02-04
公開日2022-12-21
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
4QQC
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BU of 4qqc by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Domain in Complex with FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations
分子名称: Fibroblast growth factor receptor 4, N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, SULFATE ION
著者Huang, Z, Mohammadi, M.
登録日2014-06-27
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
6LA4
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BU of 6la4 by Molmil
Cryo-EM structure of full echovirus 11 particle at pH 5.5
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Liu, S, Gao, F.G.
登録日2019-11-11
公開日2020-10-07
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.34 Å)
主引用文献Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
6LA6
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BU of 6la6 by Molmil
Cryo-EM structure of echovirus 11 complexed with its uncoating receptor FcRn at pH 7.4
分子名称: Beta-2-microglobulin, Capsid protein VP1, Capsid protein VP2, ...
著者Liu, S, Gao, F.G.
登録日2019-11-12
公開日2020-10-07
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.39 Å)
主引用文献Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
6LAP
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BU of 6lap by Molmil
Cryo-EM structure of echovirus 11 A-particle at pH 7.4
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
著者Liu, S, Gao, F.G.
登録日2019-11-13
公開日2020-10-07
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
7MQ2
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BU of 7mq2 by Molmil
C9A Streptococcus pneumoniae CstR in the reduced state, space group P21
分子名称: Copper-sensing transcriptional repressor csoR
著者Fakhoury, J.N, Gonzalez-Gutierrez, G, Giedroc, D.P.
登録日2021-05-05
公開日2022-03-09
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Functional asymmetry and chemical reactivity of CsoR family persulfide sensors.
Nucleic Acids Res., 49, 2021
7MQ3
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BU of 7mq3 by Molmil
C9A N55A Streptococcus pneumoniae CstR in the reduced state
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Copper-sensing transcriptional repressor csoR, SODIUM ION
著者Fakhoury, J, Gonzalez-Gutierrez, G, Giedroc, D.P.
登録日2021-05-05
公開日2022-03-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Functional asymmetry and chemical reactivity of CsoR family persulfide sensors.
Nucleic Acids Res., 49, 2021
6LNQ
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BU of 6lnq by Molmil
The co-crystal structure of SARS-CoV 3C Like Protease with aldehyde inhibitor M7
分子名称: N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide, Severe Acute Respiratory Syndrome Coronavirus 3c Like Protease
著者Wang, H, Shang, L.Q.
登録日2020-01-01
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.244 Å)
主引用文献Comprehensive Insights into the Catalytic Mechanism of Middle East Respiratory Syndrome 3C-Like Protease and Severe Acute Respiratory Syndrome 3C-Like Protease.
Acs Catalysis, 10, 2020
7MQ1
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BU of 7mq1 by Molmil
C9A Streptococcus pneumoniae CstR in the reduced state, space group C2
分子名称: CHLORIDE ION, Copper-sensing transcriptional repressor csoR, GLYCEROL, ...
著者Fakhoury, J.N, Gonzalez-Gutierrez, G, Giedroc, D.P.
登録日2021-05-05
公開日2022-03-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Functional asymmetry and chemical reactivity of CsoR family persulfide sensors.
Nucleic Acids Res., 49, 2021
6LO0
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BU of 6lo0 by Molmil
The co-crystal structure of Severe Acute Respiratory Syndrome Coronavirus 3C Like Protease with aldehyde M14
分子名称: (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, Replicase polyprotein 1a
著者Wang, H, Shang, L.Q.
登録日2020-01-02
公開日2020-05-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.939 Å)
主引用文献Comprehensive Insights into the Catalytic Mechanism of Middle East Respiratory Syndrome 3C-Like Protease and Severe Acute Respiratory Syndrome 3C-Like Protease.
Acs Catalysis, 10, 2020
7MQS
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BU of 7mqs by Molmil
The insulin receptor ectodomain in complex with three venom hybrid insulin molecules - asymmetric conformation
分子名称: Insulin A chain, Insulin B chain, Isoform Short of Insulin receptor
著者Blakely, A.D, Xiong, X, Kim, J.H, Menting, J, Schafer, I.B, Schubert, H.L, Agrawal, R, Gutmann, T, Delaine, C, Zhang, Y, Artik, G.O, Merriman, A, Eckert, D, Lawrence, M.C, Coskun, U, Fisher, S.J, Forbes, B.E, Safavi-Hemami, H, Hill, C.P, Chou, D.H.C.
登録日2021-05-06
公開日2022-03-16
最終更新日2023-03-29
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Symmetric and asymmetric receptor conformation continuum induced by a new insulin.
Nat.Chem.Biol., 18, 2022
7MQO
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BU of 7mqo by Molmil
The insulin receptor ectodomain in complex with a venom hybrid insulin analog - "head" region
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, Insulin A chain, ...
著者Blakely, A.D, Xiong, X, Kim, J.H, Menting, J, Schafer, I.B, Schubert, H.L, Agrawal, R, Gutmann, T, Delaine, C, Zhang, Y, Artik, G.O, Merriman, A, Eckert, D, Lawrence, M.C, Coskun, U, Fisher, S.J, Forbes, B.E, Safavi-Hemami, H, Hill, C.P, Chou, D.H.C.
登録日2021-05-06
公開日2022-03-16
最終更新日2023-03-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Symmetric and asymmetric receptor conformation continuum induced by a new insulin.
Nat.Chem.Biol., 18, 2022
7MQR
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BU of 7mqr by Molmil
The insulin receptor ectodomain in complex with four venom hybrid insulins - symmetric conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
著者Blakely, A.D, Xiong, X, Kim, J.H, Menting, J, Schafer, I.B, Schubert, H.L, Agrawal, R, Gutmann, T, Delaine, C, Zhang, Y, Artik, G.O, Merriman, A, Eckert, D, Lawrence, M.C, Coskun, U, Fisher, S.J, Forbes, B.E, Safavi-Hemami, H, Hill, C.P, Chou, D.H.C.
登録日2021-05-06
公開日2022-03-16
最終更新日2023-03-29
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Symmetric and asymmetric receptor conformation continuum induced by a new insulin.
Nat.Chem.Biol., 18, 2022
8TQV
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BU of 8tqv by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20403
分子名称: 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide, Polyketide synthase Pks13, SULFATE ION
著者Krieger, I.V, Sacchettini, J.C.
登録日2023-08-08
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
4NCM
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BU of 4ncm by Molmil
Influenza polymerase basic protein 2 (PB2) bound to a small-molecule inhibitor
分子名称: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2013-10-24
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014

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