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6JTO
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BU of 6jto by Molmil
Crystal structure of HLA-C05 in complex with a tumor mut10m peptide
分子名称: 10-mer peptide, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Bai, P, Zhou, Q, Wei, P, Lei, Y.
登録日2019-04-11
公開日2020-04-15
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rational discovery of a cancer neoepitope harboring the KRAS G12D driver mutation.
Sci China Life Sci, 2021
6KZE
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BU of 6kze by Molmil
The crystal structue of PDE10A complexed with 4d
分子名称: 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ...
著者Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B.
登録日2019-09-24
公開日2020-09-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.50003481 Å)
主引用文献Novel Potent and Highly Selective Benzoimidazole-based Phosphodiesterase 10 Inhibitors with Improved Solubility and Pharmacokinetic Properties for the Treatment of Pulmonary Arterial Hypertension
To Be Published
6M17
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BU of 6m17 by Molmil
The 2019-nCoV RBD/ACE2-B0AT1 complex
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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Guo, Y.Y, Zhou, Q.
登録日2020-02-24
公開日2020-03-11
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
6M49
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BU of 6m49 by Molmil
cryo-EM structure of Scap/Insig complex in the present of 25-hydroxyl cholesterol.
分子名称: 25-HYDROXYCHOLESTEROL, Insulin-induced gene 2 protein, Sterol regulatory element-binding protein cleavage-activating protein,Sterol regulatory element-binding protein cleavage-activating protein
著者Yan, R, Cao, P, Song, W, Qian, H, Du, X, Coates, H.W, Zhao, X, Li, Y, Gao, S, Gong, X, Liu, X, Sui, J, Lei, J, Yang, H, Brown, A.J, Zhou, Q, Yan, C, Yan, N.
登録日2020-03-06
公開日2021-01-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A structure of human Scap bound to Insig-2 suggests how their interaction is regulated by sterols.
Science, 371, 2021
6M18
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BU of 6m18 by Molmil
ACE2-B0AT1 complex
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 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Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
登録日2020-02-25
公開日2020-03-11
最終更新日2020-11-04
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
6M1D
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BU of 6m1d by Molmil
ACE2-B0AT1 complex, open conformation
分子名称: Angiotensin-converting enzyme 2, Sodium-dependent neutral amino acid transporter B(0)AT1
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
登録日2020-02-25
公開日2020-03-11
最終更新日2020-04-08
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
7V61
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BU of 7v61 by Molmil
ACE2 -Targeting Monoclonal Antibody as Potent and Broad-Spectrum Coronavirus Blocker
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, 3E8, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
登録日2021-08-18
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献ACE2-targeting monoclonal antibody as potent and broad-spectrum coronavirus blocker.
Signal Transduct Target Ther, 6, 2021
7E21
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BU of 7e21 by Molmil
Cryo EM structure of a Na+-bound Na+,K+-ATPase in the E1 state with ATP-gamma-S
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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Guo, Y.Y, Zhang, Y.Y, Yan, R.H, Huang, B.D, Ye, F.F, Wu, L.S, Chi, X.M, Zhou, Q.
登録日2021-02-04
公開日2022-06-15
最終更新日2022-07-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structures of recombinant human sodium-potassium pump determined in three different states.
Nat Commun, 13, 2022
7E20
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BU of 7e20 by Molmil
Cryo EM structure of a K+-bound Na+,K+-ATPase in the E2 state
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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Guo, Y.Y, Zhang, Y.Y, Yan, R.H, Huang, B.D, Ye, F.F, Wu, L.S, Chi, X.M, Zhou, Q.
登録日2021-02-04
公開日2022-06-15
最終更新日2022-07-20
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structures of recombinant human sodium-potassium pump determined in three different states.
Nat Commun, 13, 2022
7E1Z
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BU of 7e1z by Molmil
Cryo EM structure of a Na+-bound Na+,K+-ATPase in the E1 state
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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Guo, Y.Y, Zhang, Y.Y, Yan, R.H, Huang, B.D, Ye, F.F, Wu, L.S, Chi, X.M, Zhou, Q.
登録日2021-02-04
公開日2022-06-15
最終更新日2022-07-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures of recombinant human sodium-potassium pump determined in three different states.
Nat Commun, 13, 2022
7EPZ
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BU of 7epz by Molmil
Overall structure of Erastin-bound xCT-4F2hc complex
分子名称: 1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE, 2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yan, R.H, Li, Y.N, Zhang, Y.Y, Chi, X.M, Zhou, Q.
登録日2021-04-28
公開日2022-04-06
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The structure of erastin-bound xCT-4F2hc complex reveals molecular mechanisms underlying erastin-induced ferroptosis.
Cell Res., 32, 2022
8GTQ
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BU of 8gtq by Molmil
cryo-EM structure of Omicron BA.5 S protein in complex with S2L20
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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q.
登録日2022-09-08
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023
8GTP
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BU of 8gtp by Molmil
cryo-EM structure of Omicron BA.5 S protein in complex with XGv289
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Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q.
登録日2022-09-08
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023
8GTO
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BU of 8gto by Molmil
cryo-EM structure of Omicron BA.5 S protein in complex with XGv282
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Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q.
登録日2022-09-08
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023
8IET
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BU of 8iet by Molmil
Human SLC26A3 in the apo state
分子名称: Chloride anion exchanger
著者Li, X.R, Chi, X.M, Zhang, Y.Y, Zhou, Q.
登録日2023-02-15
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Human SLC26A3 in the apo state
To Be Published
5XSY
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BU of 5xsy by Molmil
Structure of the Nav1.4-beta1 complex from electric eel
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein, Voltage-gated sodium channel beta subunit 1, ...
著者Yan, Z, Zhou, Q, Wu, J.P, Yan, N.
登録日2017-06-15
公開日2017-08-09
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure of the Nav1.4-beta 1 Complex from Electric Eel.
Cell, 170, 2017
5YPO
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BU of 5ypo by Molmil
Crystal structure of PSD-95 GK domain in complex with phospho-SAPAP peptide
分子名称: Disks large homolog 4, GLYCEROL, SAPAP
著者Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhang, R, Zhang, M.
登録日2017-11-02
公開日2018-03-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs.
Cell Rep, 21, 2017
5YPR
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BU of 5ypr by Molmil
Crystal Structure of PSD-95 SH3-GK domain in complex with a synthesized inhibitor
分子名称: Disks large homolog 4, Synthesized GK inhibitor
著者Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhu, R, Zhang, M.
登録日2017-11-02
公開日2018-03-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.349 Å)
主引用文献Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs.
Cell Rep, 21, 2017
5YYS
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BU of 5yys by Molmil
Cryo-EM structure of L-fucokinase, GDP-fucose pyrophosphorylase (FKP)in Bacteroides fragilis
分子名称: L-fucokinase, L-fucose-1-P guanylyltransferase
著者Wang, J, Hu, H, Liu, Y, Zhou, Q, Wu, P, Yan, N, Wang, H.W, Wu, J.W, Sun, L.
登録日2017-12-11
公開日2018-12-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-EM structure of L-fucokinase/GDP-fucose pyrophosphorylase (FKP) in Bacteroides fragilis.
Protein Cell, 10, 2019
6A3N
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BU of 6a3n by Molmil
Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2
分子名称: 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Wu, Y.N, Zhou, Q, Chen, Y.P, Luo, H.B.
登録日2018-06-15
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia.
J. Med. Chem., 62, 2019
6A90
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BU of 6a90 by Molmil
Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana and Dc1a
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, Mu-diguetoxin-Dc1a, ...
著者Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N.
登録日2018-07-11
公開日2018-08-08
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for the modulation of voltage-gated sodium channels by animal toxins.
Science, 362, 2018
6A91
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BU of 6a91 by Molmil
Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana bound with saxitoxin and Dc1a
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N.
登録日2018-07-11
公開日2018-08-08
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for the modulation of voltage-gated sodium channels by animal toxins.
Science, 362, 2018
6A95
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BU of 6a95 by Molmil
Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana bound with tetrodotoxin and Dc1a
分子名称: (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 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Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N.
登録日2018-07-11
公開日2018-08-08
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural basis for the modulation of voltage-gated sodium channels by animal toxins.
Science, 362, 2018
6AGF
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BU of 6agf by Molmil
Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta1
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 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Pan, X.J, li, Z.Q, Zhou, Q, Shen, H.Z, Wu, K, Huang, X.S, Chen, J.F, Zhang, J.R, Zhu, X.C, Lei, J.L, Xiong, W, Gong, H.P, Xiao, B.L, Yan, N.
登録日2018-08-11
公開日2018-10-10
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta 1.
Science, 362, 2018
7CWF
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BU of 7cwf by Molmil
Crystal structure of PDE8A catalytic domain in complex with 2c
分子名称: 9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ...
著者Huang, Y, Wu, X.-N, Zhou, Q, Wu, Y, Luo, H.-B.
登録日2020-08-28
公開日2021-09-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors.
J.Med.Chem., 63, 2020

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