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7BQ5
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BU of 7bq5 by Molmil
ZIKV sE bound to mAb Z6
Descriptor: Z6 Light Chain, Z6 heavy chain, envelope protein
Authors:Dai, L, Qi, J, Gao, G.F.
Deposit date:2020-03-24
Release date:2021-03-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Protective Zika vaccines engineered to eliminate enhancement of dengue infection via immunodominance switch.
Nat.Immunol., 22, 2021
7BPK
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BU of 7bpk by Molmil
Zika virus envelope protein mutant bound to mAb
Descriptor: Envelope protein, IG c307_light_IGLV1-51_IGLJ2, Z3L1 Heavy chain
Authors:Dai, L, Qi, J, Gao, G.F.
Deposit date:2020-03-23
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Protective Zika vaccines engineered to eliminate enhancement of dengue infection via immunodominance switch.
Nat.Immunol., 22, 2021
6M0J
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BU of 6m0j by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain bound with ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ...
Authors:Wang, X, Lan, J, Ge, J, Yu, J, Shan, S.
Deposit date:2020-02-21
Release date:2020-03-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor.
Nature, 581, 2020
4MOD
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BU of 4mod by Molmil
Structure of the MERS-CoV fusion core
Descriptor: HR1 of S protein, LINKER, HR2 of S protein
Authors:Gao, J, Lu, G, Qi, J, Li, Y, Wu, Y, Deng, Y, Geng, H, Xiao, H, Tan, W, Yan, J, Gao, G.F.
Deposit date:2013-09-12
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Structure of the fusion core and inhibition of fusion by a heptad repeat peptide derived from the S protein of Middle East respiratory syndrome coronavirus.
J.Virol., 87, 2013
2YYF
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BU of 2yyf by Molmil
Purification and structural characterization of a D-amino acid containing conopeptide, marmophine, from Conus marmoreus
Descriptor: M-conotoxin mr12
Authors:Huang, F, Du, W, Han, Y, Wang, C.
Deposit date:2007-04-29
Release date:2008-04-08
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Purification and structural characterization of a D-amino acid-containing conopeptide, conomarphin, from Conus marmoreus.
Febs J., 275, 2008
5HU9
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BU of 5hu9 by Molmil
Crystal structure of ABL1 in complex with CHMFL-074
Descriptor: 1,2-ETHANEDIOL, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide, CHLORIDE ION, ...
Authors:Kong, L.L, Yun, C.H.
Deposit date:2016-01-27
Release date:2016-07-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.529 Å)
Cite:Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML)
Oncotarget, 7, 2016
5BMV
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BU of 5bmv by Molmil
CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-Vinblastine COMPLEX
Descriptor: (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Chen, Q, Zhang, R.
Deposit date:2015-05-23
Release date:2016-07-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules.
Mol.Pharmacol., 89, 2016
5WWL
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BU of 5wwl by Molmil
Crystal structure of the Schizogenesis pombe kinetochore Mis12C subcomplex
Descriptor: Centromere protein mis12, Kinetochore protein nnf1
Authors:Wang, C, Zhou, X, Wu, M, Zhang, X, Zang, J.
Deposit date:2017-01-02
Release date:2017-11-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Phosphorylation of CENP-C by Aurora B facilitates kinetochore attachment error correction in mitosis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8JMT
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BU of 8jmt by Molmil
Structure of the adhesion GPCR ADGRL3 in the apo state
Descriptor: Adhesion G protein-coupled receptor L3,Soluble cytochrome b562
Authors:Tao, Y, Guo, Q, He, B, Zhong, Y.
Deposit date:2023-06-05
Release date:2023-09-06
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
6LN1
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BU of 6ln1 by Molmil
A natural inhibitor of DYRK1A for treatment of diabetes mellitus
Descriptor: 1,3,5,8-tetrakis(oxidanyl)xanthen-9-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Li, H, Chen, L.X, Zheng, M.Z, Zhang, Q.Z, Zhang, C.L, Wu, C.R, Yang, K.Y, Song, Z.R, Wang, Q.Q, Li, C, Zhou, Y.R, Chen, J.C.
Deposit date:2019-12-28
Release date:2021-10-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.699 Å)
Cite:A natural DYRK1A inhibitor as a potential stimulator for beta-cell proliferation in diabetes.
Clin Transl Med, 11, 2021
6LK8
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BU of 6lk8 by Molmil
Structure of Xenopus laevis Cytoplasmic Ring subunit.
Descriptor: GATOR complex protein SEC13, MGC154553 protein, MGC83295 protein, ...
Authors:Shi, Y, Huang, G, Yan, C, Zhang, Y.
Deposit date:2019-12-18
Release date:2021-07-21
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Structure of the cytoplasmic ring of the Xenopus laevis nuclear pore complex by cryo-electron microscopy single particle analysis.
Cell Res., 30, 2020
7MFH
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BU of 7mfh by Molmil
Crystal structure of BIO-32546 bound mouse Autotaxin
Descriptor: (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chodaparambil, J.V.
Deposit date:2021-04-09
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546.
Acs Med.Chem.Lett., 12, 2021
5CMZ
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BU of 5cmz by Molmil
Artificial HIV fusion inhibitor AP3 fused to the C-terminus of gp41 NHR
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Artificial HIV entry inhibitor AP3, ...
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.574 Å)
Cite:Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
7YAD
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BU of 7yad by Molmil
Cryo-EM structure of S309-RBD-RBD-S309 in the S309-bound Omicron spike protein (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S309 neutralizing antibody heavy chain, S309 neutralizing antibody light chain, ...
Authors:Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, F.
Deposit date:2022-06-27
Release date:2022-08-31
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
7Y9S
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BU of 7y9s by Molmil
Cryo-EM structure of apo SARS-CoV-2 Omicron spike protein (S-2P-GSAS)
Descriptor: 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
Authors:Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2022-06-26
Release date:2022-08-31
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
7YA1
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BU of 7ya1 by Molmil
Cryo-EM structure of hACE2-bound SARS-CoV-2 Omicron spike protein with L371S, P373S and F375S mutations (local refinement)
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:Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2022-06-27
Release date:2022-08-31
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
7Y9Z
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BU of 7y9z by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike protein (S-6P-RRAR) in complex with human ACE2 ectodomain (one-RBD-up state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Gao, G.F, Qi, J.X, Liu, S, Zhao, Z.N.
Deposit date:2022-06-26
Release date:2022-09-21
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
5CN0
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BU of 5cn0 by Molmil
Artificial HIV fusion inhibitor AP2 fused to the C-terminus of gp41 NHR
Descriptor: DI(HYDROXYETHYL)ETHER, Envelope glycoprotein,AP2, MAGNESIUM ION
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
5CMU
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BU of 5cmu by Molmil
Artificial HIV fusion inhibitor AP1 fused to the C-terminus of gp41 NHR
Descriptor: Envelope glycoprotein,AP1, GLYCEROL
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
7SEL
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BU of 7sel by Molmil
E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3)
Descriptor: (2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase
Authors:Payandeh, J, Koth, C.M, Verma, V.A.
Deposit date:2021-09-30
Release date:2022-03-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.978 Å)
Cite:Discovery of Inhibitors of the Lipopolysaccharide Transporter MsbA: From a Screening Hit to Potent Wild-Type Gram-Negative Activity.
J.Med.Chem., 65, 2022
4Y7R
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BU of 4y7r by Molmil
Crystal structure of WDR5 in complex with MYC MbIIIb peptide
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MYC MbIIIb peptide, ...
Authors:Sun, Q, Phan, J, Olejniczak, E.T, Thomas, L.R, Fesik, S.W, Tansey, W.P.
Deposit date:2015-02-16
Release date:2015-04-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Interaction with WDR5 Promotes Target Gene Recognition and Tumorigenesis by MYC.
Mol.Cell, 58, 2015
6KXW
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BU of 6kxw by Molmil
Crystal structure of human aquaporin AQP7 in bound to glycerol
Descriptor: Aquaporin-7, GLYCEROL
Authors:Zhang, L, Yao, D, Zhou, F, Zhang, Q, Zhou, L, Cao, Y.
Deposit date:2019-09-13
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:The structural basis for glycerol permeation by human AQP7
Sci Bull (Beijing), 66, 2020
7X8Q
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BU of 7x8q by Molmil
Frizzled-10 CRD in complex with F10_A9 Fab
Descriptor: Antibody F10_A9 Fab, Heavy chain, Light chain, ...
Authors:Ge, Q, Wang, Q.
Deposit date:2022-03-14
Release date:2023-01-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:An epitope-directed selection strategy facilitating the identification of Frizzled receptor selective antibodies.
Structure, 31, 2023
7X8T
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BU of 7x8t by Molmil
Frizzled 10 CRD in complex with hB9L9.3 Fab
Descriptor: Antibody hB9L9.3 Fab, Heavy chain, Light chain, ...
Authors:Ge, Q, Wang, Q.
Deposit date:2022-03-14
Release date:2023-02-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:An epitope-directed selection strategy facilitating the identification of Frizzled receptor selective antibodies.
Structure, 31, 2023
7X8P
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BU of 7x8p by Molmil
Frizzled 2 CRD in complex with pF7_A5 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody pF7_A5 Fab, Heavy chain, ...
Authors:Ge, Q, Wang, Q.
Deposit date:2022-03-14
Release date:2023-02-01
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:An epitope-directed selection strategy facilitating the identification of Frizzled receptor selective antibodies.
Structure, 31, 2023

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