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8IRO
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BU of 8iro by Molmil
trans-Zeatin bound state of Arabidopsis AZG1 at pH7.4
Descriptor: (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
Authors:Xu, L, Guo, J.
Deposit date:2023-03-19
Release date:2024-01-17
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite: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
Descriptor: 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, ...
Authors:Li, W, Meng, Y, Liao, H.
Deposit date:2022-03-19
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 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, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite: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
Descriptor: Collagen mimetic peptide
Authors:Melton, S.D, Harris, T, Chenoweth, D.M.
Deposit date:2021-03-04
Release date:2022-03-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: Heavy chain of XGv051, Light chain of XGv051, Spike protein S1
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite: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
Descriptor: Heavy chain of XGv264, Light chain of XGv264, Spike protein S1
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite: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
Descriptor: Collagen mimetic peptide
Authors:Melton, S.D, Harris, T, Chenoweth, D.M.
Deposit date:2021-03-04
Release date:2022-03-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: Heavy chain of XGv286, Light chain of XGv286, Spike protein S1
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite: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
7WTF
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BU of 7wtf by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab XGv051
Descriptor: 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, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3 Å)
Cite: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
Descriptor: Programmed cell death protein 10, SULFATE ION, Serine/threonine-protein kinase 25
Authors:Xu, X, Wang, D.C, Ding, J.
Deposit date:2013-03-13
Release date:2013-07-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.426 Å)
Cite:Structural Basis for the Unique Heterodimeric Assembly between Cerebral Cavernous Malformation 3 and Germinal Center Kinase III.
Structure, 21, 2013
7WTI
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BU of 7wti by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab XGv264
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of XGv264, Light chain of XGv264, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-21
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite: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
Descriptor: 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
Authors:Huang, Z, Mohammadi, M.
Deposit date:2014-06-27
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Liu, S, Gao, F.G.
Deposit date:2019-11-11
Release date:2020-10-07
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.34 Å)
Cite: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
Descriptor: Beta-2-microglobulin, Capsid protein VP1, Capsid protein VP2, ...
Authors:Liu, S, Gao, F.G.
Deposit date:2019-11-12
Release date:2020-10-07
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite: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
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Liu, S, Gao, F.G.
Deposit date:2019-11-13
Release date:2020-10-07
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite: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
Descriptor: Copper-sensing transcriptional repressor csoR
Authors:Fakhoury, J.N, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2021-05-05
Release date:2022-03-09
Method:X-RAY DIFFRACTION (2.29 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Copper-sensing transcriptional repressor csoR, SODIUM ION
Authors:Fakhoury, J, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2021-05-05
Release date:2022-03-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: 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
Authors:Wang, H, Shang, L.Q.
Deposit date:2020-01-01
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.244 Å)
Cite: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
Descriptor: CHLORIDE ION, Copper-sensing transcriptional repressor csoR, GLYCEROL, ...
Authors:Fakhoury, J.N, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2021-05-05
Release date:2022-03-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.02 Å)
Cite: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
Descriptor: (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
Authors:Wang, H, Shang, L.Q.
Deposit date:2020-01-02
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.939 Å)
Cite: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
Descriptor: Insulin A chain, Insulin B chain, Isoform Short of Insulin receptor
Authors: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.
Deposit date:2021-05-06
Release date:2022-03-16
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite: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
Descriptor: 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, ...
Authors: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.
Deposit date:2021-05-06
Release date:2022-03-16
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
Authors: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.
Deposit date:2021-05-06
Release date:2022-03-16
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite: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
Descriptor: 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
Authors:Krieger, I.V, Sacchettini, J.C.
Deposit date:2023-08-08
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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
Authors:Jacobs, M.D.
Deposit date:2013-10-24
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite: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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数据于2024-10-16公开中

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