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8GPG
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BU of 8gpg by Molmil
HIV-1 Env X18 UFO in complex with F6 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, F6 Fab heavy chain, ...
Authors:Niu, J, Xu, Y.W, Yang, B.
Deposit date:2022-08-26
Release date:2023-08-09
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
7WKM
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BU of 7wkm by Molmil
Crystal Structure of 2,3-Dihydroxybenzoate Decarboxylase Complexed with Catechol
Descriptor: Amidohydrolase 2, CATECHOL, MAGNESIUM ION
Authors:Fan, Y, Xue, S.
Deposit date:2022-01-10
Release date:2023-01-25
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The catalytic mechanism of direction-dependent interactions for 2,3-dihydroxybenzoate decarboxylase
Appl.Microbiol.Biotechnol., 107, 2023
7WKL
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BU of 7wkl by Molmil
Crystal structure of dihydroxybenzoate decarboxylase mutant F296Y from Aspergillus oryzae in complex with catechol
Descriptor: Amidohydrolase 2, CATECHOL, MAGNESIUM ION, ...
Authors:Fan, Y, Xue, S.
Deposit date:2022-01-10
Release date:2023-01-25
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The catalytic mechanism of direction-dependent interactions for 2,3-dihydroxybenzoate decarboxylase
Appl.Microbiol.Biotechnol., 107, 2023
7WMB
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BU of 7wmb by Molmil
Crystal structure of 2,3-dihydroxybenzoate decarboxylase mutant W23Y from Aspergillus oryzae in complex with catechol
Descriptor: Amidohydrolase 2, CATECHOL, MAGNESIUM ION
Authors:Fan, Y, Xue, S.
Deposit date:2022-01-14
Release date:2023-01-25
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The catalytic mechanism of direction-dependent interactions for 2,3-dihydroxybenzoate decarboxylase
Appl.Microbiol.Biotechnol., 107, 2023
7CCF
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BU of 7ccf by Molmil
Mechanism insights on steroselective oxidation of phosphorylated ethylphenols with cytochrome P450 CreJ
Descriptor: (3-ethylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Dong, S, Du, L, Li, S.Y, Feng, Y.G.
Deposit date:2020-06-17
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Selective Oxidation of Phosphorylated Ethylphenols by Cytochrome P450 Monooxygenase CreJ.
Appl.Environ.Microbiol., 87, 2021
8HWT
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BU of 8hwt by Molmil
SARS-CoV-2 Omicron BA.2 RBD complexed with BD-604 and S304 Fab
Descriptor: BD-604 heavy chain, BD-604 light chain, S304 heavy chain, ...
Authors:He, Q.W, Xie, Y.
Deposit date:2023-01-02
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:An updated atlas of antibody evasion by SARS-CoV-2 Omicron sub-variants including BQ.1.1 and XBB.
Cell Rep Med, 4, 2023
8H02
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BU of 8h02 by Molmil
Crystal structure of Synechococcus elongatus PCC 7942 RNA polymerase SI3-tail
Descriptor: DNA-directed RNA polymerase subunit beta'
Authors:Shen, L.Q, Zhang, Y.
Deposit date:2022-09-27
Release date:2023-04-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:An SI3-sigma arch stabilizes cyanobacteria transcription initiation complex.
Proc.Natl.Acad.Sci.USA, 120, 2023
7VF9
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BU of 7vf9 by Molmil
Cryo-EM structure of Pseudomonas aeruginosa RNAP sigmaS holoenzyme complexes
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:He, D.W, You, L.L, Zhang, Y.
Deposit date:2021-09-10
Release date:2022-07-27
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.04 Å)
Cite:Pseudomonas aeruginosa SutA wedges RNAP lobe domain open to facilitate promoter DNA unwinding.
Nat Commun, 13, 2022
7VIC
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BU of 7vic by Molmil
The crystal structure of SARS-CoV-2 3C-like protease in complex with a traditional Chinese Medicine Inhibitors
Descriptor: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 3C-like proteinase
Authors:Zhong, B, Chen, B, Zhou, H, Sun, L.
Deposit date:2021-09-26
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Oridonin Inhibits SARS-CoV-2 by Targeting Its 3C-Like Protease.
Small Sci, 2, 2022
8HWS
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BU of 8hws by Molmil
The complex structure of Omicron BA.4 RBD with BD604, S309, and S304
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD-604 Fab Heavy chain, BD-604 Fab Light chain, ...
Authors:He, Q.W, Xu, Z.P, Xie, Y.F.
Deposit date:2023-01-02
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (2.36 Å)
Cite:An updated atlas of antibody evasion by SARS-CoV-2 Omicron sub-variants including BQ.1.1 and XBB.
Cell Rep Med, 4, 2023
8GZ8
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BU of 8gz8 by Molmil
Cryo-EM structure of Abeta2 fibril polymorph1
Descriptor: peptide self-assembled antimicrobial fibrils
Authors:Xia, W.C, Zhang, M.M, Liu, C.
Deposit date:2022-09-26
Release date:2023-09-20
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:Engineering of antimicrobial peptide fibrils with feedback degradation of bacterial-secreted enzymes.
Chem Sci, 14, 2023
8GZ9
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BU of 8gz9 by Molmil
Cryo-EM structure of Abeta2 fibril polymorph2
Descriptor: peptide self-assembled antimicrobial fibrils
Authors:Xia, W.C, Zhang, M.M, Liu, C.
Deposit date:2022-09-26
Release date:2023-09-20
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:Engineering of antimicrobial peptide fibrils with feedback degradation of bacterial-secreted enzymes.
Chem Sci, 14, 2023
7E7Y
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BU of 7e7y by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-623 Fab
Descriptor: BD-623 Fab H, BD-623 Fab L, Spike protein S1
Authors:Wei, Y, Xiao, J.
Deposit date:2021-02-28
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E8C
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BU of 7e8c by Molmil
SARS-CoV-2 S-6P in complex with 9 Fabs
Descriptor: 368-2 H, 368-2 L, 604 H, ...
Authors:Du, S, Xiao, J, Zhang, Z.
Deposit date:2021-03-01
Release date:2021-06-09
Last modified:2021-07-14
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E8F
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BU of 7e8f by Molmil
SARS-CoV-2 NTD in complex with N9 Fab
Descriptor: 368-2 H, 368-2 L, 604 H, ...
Authors:Du, S, Xiao, J, Zhang, Z.
Deposit date:2021-03-01
Release date:2021-06-09
Last modified:2021-07-14
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E7X
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BU of 7e7x by Molmil
SARS-CoV-2 Spike Protein N terminal domain in Complex with N11 Fab
Descriptor: N11 Fab Light chain, N11 Fab heavy chain, Spike protein S1
Authors:Zhang, Z, Shuo, D, Xiao, J.
Deposit date:2021-02-28
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E86
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BU of 7e86 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-508 Fab
Descriptor: BD-508 Fab Heavy Chain, BD-508 Fab Light Chain, Spike protein S1
Authors:Gao, C, Xiao, J.
Deposit date:2021-03-01
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E88
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BU of 7e88 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-515 Fab
Descriptor: BD-515 Fab Heavy Chain, BD-515 Fab Light Chain, Spike protein S1
Authors:Gao, C, Wei, Y, Xiao, J.
Deposit date:2021-03-01
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7BYR
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BU of 7byr by Molmil
BD23-Fab in complex with the S ectodomain trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab23-Fab-Heavy Chain, ...
Authors:Zhu, Q, Wang, G, Xiao, J.
Deposit date:2020-04-24
Release date:2020-06-10
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Potent Neutralizing Antibodies against SARS-CoV-2 Identified by High-Throughput Single-Cell Sequencing of Convalescent Patients' B Cells.
Cell, 182, 2020
7DU0
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BU of 7du0 by Molmil
Structure of an type I-F anti-crispr protein
Descriptor: AcrIF14
Authors:Teng, G, Yue, F.
Deposit date:2021-01-07
Release date:2021-11-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Insights into the dual functions of AcrIF14 during the inhibition of type I-F CRISPR-Cas surveillance complex.
Nucleic Acids Res., 49, 2021
7DTR
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BU of 7dtr by Molmil
Structure of an AcrIF protein
Descriptor: AcrIF24
Authors:Yue, F, Peipei, Y.
Deposit date:2021-01-06
Release date:2022-01-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022
7BRP
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BU of 7brp by Molmil
Crystal structure of the 2019-nCoV main protease complexed with Boceprevir
Descriptor: 3C-like proteinase, boceprevir (bound form)
Authors:Fu, L.F.
Deposit date:2020-03-29
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
8HTR
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BU of 8htr by Molmil
Crystal structure of Bcl2 in complex with S-9c
Descriptor: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
8HTS
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BU of 8hts by Molmil
Crystal structure of Bcl2 in complex with S-10r
Descriptor: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
7D1M
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BU of 7d1m by Molmil
CRYSTAL STRUCTURE OF THE SARS-CoV-2 MAIN PROTEASE COMPLEXED WITH GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fu, L.F, Gilski, M, Shabalin, I, Gao, G.F, Qi, J.X.
Deposit date:2020-09-14
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020

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