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5ZTM
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BU of 5ztm by Molmil
Crystal structure of MLE dsRBDs in complex with roX2 (R2H1)
Descriptor: Dosage compensation regulator, non-coding mRNA sequence roX2
Authors:Lv, M.Q, Tang, Y.J.
Deposit date:2018-05-04
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.899 Å)
Cite:Structural insights reveal the specific recognition of roX RNA by the dsRNA-binding domains of the RNA helicase MLE and its indispensable role in dosage compensation in Drosophila.
Nucleic Acids Res., 47, 2019
6PLK
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BU of 6plk by Molmil
Crystal structure of ZIKV-116 Fab in complex with ZIKV envelope DIII
Descriptor: Env, ZIKV-116 heavy chain, ZIKV-116 light chain
Authors:Zhao, H, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-07-01
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanism of differential Zika and dengue virus neutralization by a public antibody lineage targeting the DIII lateral ridge.
J.Exp.Med., 217, 2020
6AJ2
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BU of 6aj2 by Molmil
The structure of ICAM-5 triggered Enterovirus D68 virus A-particle
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W.
Deposit date:2018-08-26
Release date:2018-11-07
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
6AJ0
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BU of 6aj0 by Molmil
The structure of Enterovirus D68 mature virion
Descriptor: Capsid protein VP3, Capsid protein VP4, Viral protein 1, ...
Authors:Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W.
Deposit date:2018-08-25
Release date:2018-11-07
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
6AJ9
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BU of 6aj9 by Molmil
The structure of Enterovirus D68 mature virion in complex with Fab 15C5 and 11G1
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W.
Deposit date:2018-08-27
Release date:2018-11-07
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
6AJ3
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BU of 6aj3 by Molmil
The structure of Enterovirus D68 procapsid
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W.
Deposit date:2018-08-26
Release date:2018-11-07
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
6AJ7
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BU of 6aj7 by Molmil
The structure of Enterovirus D68 mature virion in complex with Fab 15C5
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W.
Deposit date:2018-08-27
Release date:2018-11-07
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
5W4U
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BU of 5w4u by Molmil
Pol II elongation complex with an N6-methyladenine-containing template
Descriptor: 14mer non-template DNA, 29mer template DNA, 9mer RNA, ...
Authors:Wang, W, Wang, D.
Deposit date:2017-06-13
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Epigenetic DNA Modification N6-Methyladenine Causes Site-Specific RNA Polymerase II Transcriptional Pausing.
J.Am.Chem.Soc., 139, 2017
5W51
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BU of 5w51 by Molmil
Pol II elongation complex with an N6-methyladenine-containing template and a matched UMPNPP
Descriptor: 14mer non-template DNA, 29mer template DNA, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, ...
Authors:Wang, W, Wang, D.
Deposit date:2017-06-13
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.404 Å)
Cite:Epigenetic DNA Modification N6-Methyladenine Causes Site-Specific RNA Polymerase II Transcriptional Pausing.
J.Am.Chem.Soc., 139, 2017
3N2N
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BU of 3n2n by Molmil
The Crystal Structure of Tumor Endothelial Marker 8 (TEM8) extracellular domain
Descriptor: ACETATE ION, Anthrax toxin receptor 1, MAGNESIUM ION
Authors:Fu, S, Tong, X.H, Wu, Y, Li, Y.Y, Rao, Z.H.
Deposit date:2010-05-18
Release date:2011-01-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of tumor endothelial marker 8 (TEM8) extracellular domain and implications for its receptor function for recognizing anthrax toxin.
Plos One, 5, 2010
5WE8
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BU of 5we8 by Molmil
Crystal structure of WNK1 in complex with N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide (compound 8)
Descriptor: MANGANESE (II) ION, N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Xie, X, Kohls, D.
Deposit date:2017-07-07
Release date:2017-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
J. Med. Chem., 60, 2017
4H14
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BU of 4h14 by Molmil
Crystal Structure of Bovine Coronavirus Spike Protein Lectin Domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ...
Authors:Li, F.
Deposit date:2012-09-10
Release date:2012-10-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of bovine coronavirus spike protein lectin domain.
J.Biol.Chem., 287, 2012
4I7F
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BU of 4i7f by Molmil
HIV-1 Reverse Transcriptase in complex with a phosphonate analog of nevirapine
Descriptor: CHLORIDE ION, MAGNESIUM ION, Reverse transcriptase, ...
Authors:Lansdon, E.B, Parrish, J.
Deposit date:2012-11-30
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Synthesis and biological evaluation of phosphonate analogues of nevirapine.
Bioorg.Med.Chem.Lett., 23, 2013
3F3K
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BU of 3f3k by Molmil
The structure of uncharacterized protein YKR043C from Saccharomyces cerevisiae.
Descriptor: GLYCEROL, Uncharacterized protein YKR043C
Authors:Cuff, M, Xu, X, Cui, H, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-10-30
Release date:2008-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and activity of the metal-independent fructose-1,6-bisphosphatase YK23 from Saccharomyces cerevisiae.
J.Biol.Chem., 285, 2010
3LL4
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BU of 3ll4 by Molmil
Structure of the H13A mutant of Ykr043C in complex with fructose-1,6-bisphosphate
Descriptor: 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), Uncharacterized protein YKR043C
Authors:Singer, A, Xu, X, Cui, H, Dong, A, Stogios, P.J, Edwards, A.M, Joachimiak, A, Savchenko, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-01-28
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure and activity of the metal-independent fructose-1,6-bisphosphatase YK23 from Saccharomyces cerevisiae.
J.Biol.Chem., 285, 2010
7C7P
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BU of 7c7p by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir
Descriptor: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION
Authors:Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J.
Deposit date:2020-05-26
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
7COM
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BU of 7com by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121)
Descriptor: 3C-like proteinase, boceprevir (bound form)
Authors:Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J.
Deposit date:2020-08-04
Release date:2020-08-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
3LG2
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BU of 3lg2 by Molmil
A Ykr043C/ fructose-1,6-bisphosphate product complex following ligand soaking
Descriptor: PHOSPHATE ION, Uncharacterized protein YKR043C
Authors:Singer, A, Xu, X, Cui, H, Dong, A, Edwards, A.M, Joachimiak, A, Yakunin, A.F, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-01-19
Release date:2010-03-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and activity of the metal-independent fructose-1,6-bisphosphatase YK23 from Saccharomyces cerevisiae.
J.Biol.Chem., 285, 2010
7U8F
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BU of 7u8f by Molmil
Ternary complex structure of Cereblon-DDB1 bound to IKZF2(ZF2) and the molecular glue DKY709
Descriptor: (3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA damage-binding protein 1, ...
Authors:Ma, X, Ornelas, E, Clifton, M.C.
Deposit date:2022-03-08
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy.
Cell Chem Biol, 30, 2023
3NGB
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BU of 3ngb by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC01 in complex with HIV-1 gp120
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2010-06-11
Release date:2010-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural basis for broad and potent neutralization of HIV-1 by antibody VRC01.
Science, 329, 2010
6O8D
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BU of 6o8d by Molmil
Anti-CD28xCD3 CODV Fab bound to CD28
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-CD28xCD3 CODV Fab Heavy chain, ...
Authors:Lord, D.M, Wei, R.R.
Deposit date:2019-03-09
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.547 Å)
Cite:Trispecific antibodies enhance the therapeutic efficacy of tumor-directed T cells through T cell receptor co-stimulation
To Be Published
6O89
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BU of 6o89 by Molmil
Anti-CD28xCD3 CODV Fab
Descriptor: Anti-CD28xCD3 CODV-Fab Heavy chain, Anti-CD28xCD3 CODV-Fab Light chain
Authors:Lord, D.M, Wei, R.R.
Deposit date:2019-03-09
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Trispecific antibodies enhance the therapeutic efficacy of tumor-directed T cells through T cell receptor co-stimulation
Nat Cancer, 1, 2020
6ATT
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BU of 6att by Molmil
39S Fab bound to HER2 ecd
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 39S Fab heavy chain, ...
Authors:Oganesyan, V.Y, Dall'Acqua, W.F.
Deposit date:2017-08-29
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.77 Å)
Cite:Structural insights into the mechanism of action of a biparatopic anti-HER2 antibody.
J. Biol. Chem., 293, 2018
5WDY
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BU of 5wdy by Molmil
Crystal structure of WNK1 in complex with 1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine (compound 6)
Descriptor: 1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Xie, X, Kohls, D.
Deposit date:2017-07-06
Release date:2017-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.458 Å)
Cite:Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
J. Med. Chem., 60, 2017
5YOV
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BU of 5yov by Molmil
Crystal structure of BRD4-BD1 bound with hjp126
Descriptor: (3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide, Bromodomain-containing protein 4
Authors:Xiong, B, Hu, J, Li, Y, Cao, D.
Deposit date:2017-10-31
Release date:2018-11-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Structure-based optimization of a series of selective BET inhibitors containing aniline or indoline groups.
Eur.J.Med.Chem., 150, 2018

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