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5ZVK
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BU of 5zvk by Molmil
Crystal Structure of the Human Coronavirus MERS HR1 motif in complex with pan-CoVs inhibitor EK1
Descriptor: Human Coronavirus MERS HR1 motif, pan-CoV inhibitory peptide EK1
Authors:Yan, L, Yang, B, Wilson, I.A.
Deposit date:2018-05-11
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:A pan-coronavirus fusion inhibitor targeting the HR1 domain of human coronavirus spike.
Sci Adv, 5, 2019
7C53
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BU of 7c53 by Molmil
Crystal Structure of SARS-CoV-2 HR1 motif in complex with pan-CoVs inhibitor EK1
Descriptor: CALCIUM ION, Spike protein S2',pan-CoVs inhibitor EK1
Authors:Zhu, Y, Yang, X, Sun, F.
Deposit date:2020-05-19
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.278 Å)
Cite:Structural and functional basis for pan-CoV fusion inhibitors against SARS-CoV-2 and its variants with preclinical evaluation.
Signal Transduct Target Ther, 6, 2021
7FEM
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BU of 7fem by Molmil
SARS-CoV-2 B.1.1.7 S-ACE2 complex
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:Wen, Z.L, Zhu, Y, Sun, F.
Deposit date:2021-07-21
Release date:2021-12-15
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha).
Cell Discov, 7, 2021
7FET
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BU of 7fet by Molmil
SARS-CoV-2 B.1.1.7 Spike Glycoprotein 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, Spike glycoprotein
Authors:Wen, Z.L, Zhu, Y, Sun, F.
Deposit date:2021-07-21
Release date:2021-12-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha).
Cell Discov, 7, 2021
8I54
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BU of 8i54 by Molmil
Lb2Cas12a RNA DNA complex
Descriptor: DNA (25-MER), DNA (5'-D(*AP*GP*TP*GP*CP*TP*TP*TP*A)-3'), Lb2Cas12a, ...
Authors:Li, J, Sivaraman, J, Satoru, M.
Deposit date:2023-01-24
Release date:2023-02-22
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:Structures of apo Cas12a and its complex with crRNA and DNA reveal the dynamics of ternary complex formation and target DNA cleavage.
Plos Biol., 21, 2023
5C5T
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BU of 5c5t by Molmil
The crystal structure of viral collagen prolyl hydroxylase vCPH from Paramecium Bursaria Chlorella virus-1 - 2OG complex
Descriptor: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, Prolyl 4-hydroxylase, ...
Authors:Levy, C.W.
Deposit date:2015-06-22
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Structure and Mechanism of a Viral Collagen Prolyl Hydroxylase.
Biochemistry, 54, 2015
3WJ7
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BU of 3wj7 by Molmil
Crystal structure of gox2253
Descriptor: MERCURY (II) ION, Putative oxidoreductase
Authors:Yuan, Y.A, Yin, B.
Deposit date:2013-10-05
Release date:2014-06-04
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into substrate and coenzyme preference by SDR family protein Gox2253 from Gluconobater oxydans.
Proteins, 82, 2014
6JGY
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BU of 6jgy by Molmil
Crystal structure of LASV-GP2 in a post fusion conformation
Descriptor: Pre-glycoprotein polyprotein GP complex
Authors:Zhu, Y, Zhang, X, Chen, B, Ye, S, Zhang, R.
Deposit date:2019-02-15
Release date:2019-09-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.389 Å)
Cite:Crystal Structure of Refolding Fusion Core of Lassa Virus GP2 and Design of Lassa Virus Fusion Inhibitors.
Front Microbiol, 10, 2019
4N4I
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BU of 4n4i by Molmil
Crystal structure of the Bromo-PWWP of the mouse zinc finger MYND-type containing 11 isoform alpha in complex with histone H3.3K36me3
Descriptor: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, Peptide from Histone H3.3, ...
Authors:Li, Y, Ren, Y, Li, H.
Deposit date:2013-10-08
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:ZMYND11 links histone H3.3K36me3 to transcription elongation and tumour suppression
Nature, 508, 2014
4N4H
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BU of 4n4h by Molmil
Crystal structure of the Bromo-PWWP of the mouse zinc finger MYND-type containing 11 isoform alpha in complex with histone H3.1K36me3
Descriptor: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, Peptide from Histone H3.1, ...
Authors:Li, Y, Ren, Y, Li, H.
Deposit date:2013-10-08
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:ZMYND11 links histone H3.3K36me3 to transcription elongation and tumour suppression
Nature, 508, 2014
4N4G
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BU of 4n4g by Molmil
Crystal structure of the Bromo-PWWP of the mouse zinc finger MYND-type containing 11 isoform alpha
Descriptor: PHOSPHATE ION, ZINC ION, Zinc finger MYND domain-containing protein 11
Authors:Li, Y, Ren, Y, Li, H.
Deposit date:2013-10-08
Release date:2014-03-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.947 Å)
Cite:ZMYND11 links histone H3.3K36me3 to transcription elongation and tumour suppression
Nature, 508, 2014
7XTP
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BU of 7xtp by Molmil
eIF4E in Complex with a Disulphide-Free Autonomous VH Domain
Descriptor: Eukaryotic translation initiation factor 4E, VH-S4ss, [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE
Authors:Brown, C.J, Frosi, Y, Jiang, S, Lin, Y.C.
Deposit date:2022-05-17
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.828 Å)
Cite:Engineering an autonomous VH domain to modulate intracellular pathways and to interrogate the eIF4F complex.
Nat Commun, 13, 2022
5XRA
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BU of 5xra by Molmil
Crystal structure of the human CB1 in complex with agonist AM11542
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6aR,10aR)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol, CHOLESTEROL, ...
Authors:Hua, T, Vemuri, K, Nikas, P.S, Laprairie, R.B, Wu, Y, Qu, L, Pu, M, Korde, A, Shan, J, Ho, J.H, Han, G.W, Ding, K, Li, X, Liu, H, Hanson, M.A, Zhao, S, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J.
Deposit date:2017-06-08
Release date:2017-07-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of agonist-bound human cannabinoid receptor CB1
Nature, 547, 2017
5XR8
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BU of 5xr8 by Molmil
Crystal structure of the human CB1 in complex with agonist AM841
Descriptor: (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, CHOLESTEROL, Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1, ...
Authors:Hua, T, Vemuri, K, Nikas, P.S, Laprairie, R.B, Wu, Y, Qu, L, Pu, M, Korde, A, Shan, J, Ho, J.H, Han, G.W, Ding, K, Li, X, Liu, H, Hanson, M.A, Zhao, S, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J.
Deposit date:2017-06-07
Release date:2017-07-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structures of agonist-bound human cannabinoid receptor CB1.
Nature, 547, 2017
6UD7
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BU of 6ud7 by Molmil
Crystal structure of full-length human DCAF15-DDB1(deltaBPB)-DDA1-RBM39 in complex with indisulam
Descriptor: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1,DNA damage-binding protein 1, ...
Authors:Bussiere, D.E, Shu, W, Xie, L, Knapp, M.
Deposit date:2019-09-18
Release date:2019-12-18
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
6UE5
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BU of 6ue5 by Molmil
Crystal structure of full-length human DCAF15-DDB1-deltaPBP-DDA1-RBM39 in complex with 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
Descriptor: 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
Authors:Knapp, M.S, Shu, W, Xie, L, Bussiere, D.E.
Deposit date:2019-09-20
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
6VBH
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BU of 6vbh by Molmil
Human XPG endonuclease catalytic domain
Descriptor: DNA repair protein complementing XP-G cells,Flap endonuclease 1, SULFATE ION
Authors:Tsutakawa, S.E, Arvai, A.S, Tainer, J.A.
Deposit date:2019-12-18
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Human XPG nuclease structure, assembly, and activities with insights for neurodegeneration and cancer from pathogenic mutations.
Proc.Natl.Acad.Sci.USA, 117, 2020
7C23
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BU of 7c23 by Molmil
Crystal structure of CrmE10, a SGNH-hydrolase family esterase
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Li, Z, Li, J.
Deposit date:2020-05-07
Release date:2020-05-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
7C29
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BU of 7c29 by Molmil
Esterase CrmE10 mutant-D178A
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Li, Z, Li, J.
Deposit date:2020-05-07
Release date:2020-05-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
5IGX
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BU of 5igx by Molmil
Crystal structure of NIH45-46 Fab germline precursor in complex with 426c.TM1deltaV1-3 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 426c.TM1deltaV1-3 gp120, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scharf, L, Bjorkman, P.J.
Deposit date:2016-02-28
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Structural basis for germline antibody recognition of HIV-1 immunogens.
Elife, 5, 2016
5I9Q
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BU of 5i9q by Molmil
Crystal structure of 3BNC55 Fab in complex with 426c.TM4deltaV1-3 gp120
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC55 Fab heavy chain, ...
Authors:Scharf, L, Chen, C, Bjorkman, P.J.
Deposit date:2016-02-20
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for germline antibody recognition of HIV-1 immunogens.
Elife, 5, 2016
6SJ7
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BU of 6sj7 by Molmil
Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to RBM39 and Indisulam
Descriptor: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ...
Authors:Srinivas, H.
Deposit date:2019-08-12
Release date:2019-12-18
Last modified:2019-12-25
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
5WYZ
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BU of 5wyz by Molmil
Crystal structure of human TLR8 in complex with CU-CPT9b
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol, ...
Authors:Tanji, H, Ohto, U, Shimizu, T.
Deposit date:2017-01-16
Release date:2017-12-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Small-molecule inhibition of TLR8 through stabilization of its resting state
Nat. Chem. Biol., 14, 2018
5Z15
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BU of 5z15 by Molmil
Crystal structure of human TLR8 in complex with CU-CPT9c
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(7-chloranylquinolin-4-yl)-2-methyl-phenol, ...
Authors:Tanji, H, Ohto, U, Shimizu, T.
Deposit date:2017-12-25
Release date:2018-07-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Inhibition of Toll-like Receptor 8 by Specifically Targeting a Unique Allosteric Site and Locking Its Resting State
To Be Published
5WYX
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BU of 5wyx by Molmil
Crystal structure of human TLR8 in complex with CU-CPT8m
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, ...
Authors:Tanji, H, Ohto, U, Shimizu, T.
Deposit date:2017-01-16
Release date:2017-12-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small-molecule inhibition of TLR8 through stabilization of its resting state
Nat. Chem. Biol., 14, 2018

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