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8HC2
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BU of 8hc2 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 1 YB9-258 Fab (1 RBD up)
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 YB9-258 Fab, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (6.21 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
6U9D
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BU of 6u9d by Molmil
Saccharomyces cerevisiae acetohydroxyacid synthase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Acetolactate synthase catalytic subunit, mitochondrial, ...
Authors:Guddat, L.W, Lonhienne, T.
Deposit date:2019-09-08
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.194 Å)
Cite:Structures of fungal and plant acetohydroxyacid synthases.
Nature, 586, 2020
7AMT
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BU of 7amt by Molmil
Structure of LuxR with DNA (activation)
Descriptor: DNA (5'-D(P*AP*TP*AP*AP*TP*GP*AP*CP*AP*TP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP*AP*AP*TP*GP*TP*CP*AP*TP*TP*AP*T)-3'), HTH-type transcriptional regulator LuxR
Authors:Liu, B, Reverter, D.
Deposit date:2020-10-09
Release date:2021-03-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
7AMN
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BU of 7amn by Molmil
Structure of LuxR with DNA (repression)
Descriptor: DNA (5'-D(P*TP*AP*TP*TP*GP*AP*TP*AP*AP*AP*AP*TP*TP*AP*TP*CP*AP*AP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*TP*GP*AP*TP*AP*AP*TP*TP*TP*TP*AP*TP*CP*AP*AP*TP*A)-3'), HTH-type transcriptional regulator LuxR
Authors:Liu, B, Reverter, D.
Deposit date:2020-10-09
Release date:2021-03-31
Last modified:2021-04-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
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
7TTI
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BU of 7tti by Molmil
Human KCC1 bound with VU0463271 In an outward-open state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)sulfanyl]acetamide, Solute carrier family 12 member 4
Authors:Zhao, Y.X, Cao, E.H.
Deposit date:2022-02-01
Release date:2022-06-29
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the human cation-chloride cotransport KCC1 in an outward-open state.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TTH
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BU of 7tth by Molmil
Human potassium-chloride cotransporter 1 in inward-open state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, POTASSIUM ION, Solute carrier family 12 member 4
Authors:Zhao, Y.X, Cao, E.H.
Deposit date:2022-02-01
Release date:2022-06-29
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structure of the human cation-chloride cotransport KCC1 in an outward-open state.
Proc.Natl.Acad.Sci.USA, 119, 2022
7BR2
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BU of 7br2 by Molmil
BT4096 a gut microbial diltiazem-metabolizing enzyme
Descriptor: Lipolytic enzyme, G-D-S-L family
Authors:Ko, T.-P, Chen, C.-C, Guo, R.-T.
Deposit date:2020-03-26
Release date:2020-05-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure of a gut microbial diltiazem-metabolizing enzyme suggests possible substrate binding mode.
Biochem.Biophys.Res.Commun., 527, 2020
7BRO
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BU of 7bro by Molmil
Crystal structure of the 2019-nCoV main protease
Descriptor: 3C-like proteinase
Authors:Fu, L.F.
Deposit date:2020-03-29
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
7TQQ
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BU of 7tqq by Molmil
Structure of human TREX1-DNA complex
Descriptor: DNA (5'-D(P*TP*TP*GP*GP*CP*CP*GP*GP*CP*CP*AP*TP*C)-3'), Three-prime repair exonuclease 1
Authors:Zhou, W, Richmond-Buccola, D, Kranzusch, P.J.
Deposit date:2022-01-26
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of human TREX1 DNA degradation and autoimmune disease.
Nat Commun, 13, 2022
7TQN
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BU of 7tqn by Molmil
Structure of human TREX1
Descriptor: Three-prime repair exonuclease 1
Authors:Zhou, W, Richmond-Buccola, D, Kranzusch, P.J.
Deposit date:2022-01-26
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of human TREX1 DNA degradation and autoimmune disease.
Nat Commun, 13, 2022
7TQO
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BU of 7tqo by Molmil
Structure of human TREX1
Descriptor: Three-prime repair exonuclease 1
Authors:Zhou, W, Richmond-Buccola, D, Kranzusch, P.J.
Deposit date:2022-01-26
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural basis of human TREX1 DNA degradation and autoimmune disease.
Nat Commun, 13, 2022
7TQP
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BU of 7tqp by Molmil
Structure of human TREX1
Descriptor: SULFATE ION, Three-prime repair exonuclease 1
Authors:Zhou, W, Richmond-Buccola, D, Kranzusch, P.J.
Deposit date:2022-01-26
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis of human TREX1 DNA degradation and autoimmune disease.
Nat Commun, 13, 2022
6VZ8
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BU of 6vz8 by Molmil
Arabidopsis thaliana acetohydroxyacid synthase complex with valine bound
Descriptor: Acetolactate synthase small subunit 2, chloroplastic, Acetolactate synthase, ...
Authors:Guddat, L.W, Low, Y.S.
Deposit date:2020-02-27
Release date:2020-07-15
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structures of fungal and plant acetohydroxyacid synthases.
Nature, 586, 2020
7C6S
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BU of 7c6s by Molmil
Crystal structure of the SARS-CoV-2 main protease complexed with Boceprevir
Descriptor: 3C-like proteinase, boceprevir (bound form)
Authors:Fu, L, Feng, Y.
Deposit date:2020-05-22
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
8H0Z
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BU of 8h0z by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-122 Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ...
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8HC5
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BU of 8hc5 by Molmil
SARS-CoV-2 wildtype S1 in complex with YB9-258 Fab and R1-32 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, Heavy chain of YB9-258 Fab, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
6H3R
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BU of 6h3r by Molmil
Crystal structure of Smad2 without exon -MH1 bound to the CAGAC site.
Descriptor: DNA (5'-D(P*GP*AP*GP*TP*GP*TP*CP*TP*GP*CP*AP*GP*AP*CP*AP*CP*TP*C)-3'), Mothers against decapentaplegic homolog, ZINC ION
Authors:Kaczmarska, Z, Marquez, J.A, Macias, M.J.
Deposit date:2018-07-19
Release date:2019-09-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for distinct roles of SMAD2 and SMAD3 in FOXH1 pioneer-directed TGF-beta signaling
Genes Dev., 2020
4TVZ
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BU of 4tvz by Molmil
Crystal Structure of SCARB2 in Neural Condition (pH7.5)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Scavenger receptor class B member 2, ...
Authors:Dang, M.H, Wang, X.X, Rao, Z.H.
Deposit date:2014-06-29
Release date:2015-07-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.006 Å)
Cite:Molecular mechanism of SCARB2-mediated attachment and uncoating of EV71
Protein Cell, 5, 2014
7C2Q
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BU of 7c2q by Molmil
The crystal structure of COVID-19 main protease in the apo state
Descriptor: 3C-like proteinase
Authors:Zhou, X.L, Zhong, F.L, Lin, C, Hu, X.H, Zhou, H, Wang, Q.S, Li, j, Zhang, J.
Deposit date:2020-05-08
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure of SARS-CoV-2 main protease in the apo state.
Sci China Life Sci, 64, 2021
3V7T
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BU of 3v7t by Molmil
Crystal Structure of Human Beta-Tryptase Complexed with a Synthetic Inhibitor with a Tropanylamide Scaffold
Descriptor: CARBONATE ION, TPSB2 protein, {(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone
Authors:Zhang, Y, Colonna, C, Michot, N.
Deposit date:2011-12-22
Release date:2012-03-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A beta-tryptase inhibitor with a tropanylamide scaffold to improve in vitro stability and to lower hERG channel binding affinity
Bioorg.Med.Chem.Lett., 22, 2012
7DQZ
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BU of 7dqz by Molmil
Crystal structure of SARS 3C-like protease in apo form
Descriptor: 3C-like proteinase
Authors:Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
Deposit date:2020-12-24
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7EO8
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BU of 7eo8 by Molmil
Crystal structure of SARS coronavirus main protease in complex with an inhibitor Shikonin
Descriptor: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
Authors:Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
Deposit date:2021-04-21
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2808516 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7QI8
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BU of 7qi8 by Molmil
CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE AND INHIBITOR
Descriptor: 2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one, LYSINE, Lysine--tRNA ligase 1
Authors:Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S.
Deposit date:2021-12-14
Release date:2022-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
3S4S
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BU of 3s4s by Molmil
Crystal structure of CD4 mutant bound to HLA-DR1
Descriptor: GLYCEROL, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:Li, Y.
Deposit date:2011-05-20
Release date:2011-09-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Affinity maturation of human CD4 by yeast surface display and crystal structure of a CD4-HLA-DR1 complex.
Proc.Natl.Acad.Sci.USA, 108, 2011

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