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8EO1
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BU of 8eo1 by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG) with Hemi-methylated CpG (reverse strand)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-10-01
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EJ6
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BU of 8ej6 by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGAGGAATGGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*AP*GP*GP*AP*AP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*CP*AP*TP*TP*CP*CP*TP*CP*TP*TP*AP*T)-3'), Transcription factor PU.1
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-16
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EKJ
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BU of 8ekj by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAATGGAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*AP*TP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*AP*TP*TP*TP*AP*T)-3'), Transcription factor PU.1
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-21
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EKU
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BU of 8eku by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAATGGAATGGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*AP*TP*GP*GP*AP*AP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*CP*AP*TP*TP*CP*CP*AP*TP*TP*TP*AP*T)-3'), Transcription factor PU.1
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
3NKE
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BU of 3nke by Molmil
High resolution structure of the C-terminal domain CRISP-associated protein Cas1 from Escherichia coli str. K-12
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, SULFITE ION, ...
Authors:Nocek, B, Skarina, T, Beloglazova, N, Savchenko, A, Joachimiak, A, Yakunin, A.
Deposit date:2010-06-18
Release date:2010-08-25
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A dual function of the CRISPR-Cas system in bacterial antivirus immunity and DNA repair.
Mol.Microbiol., 79, 2011
4LT4
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BU of 4lt4 by Molmil
Crystal structure of arginine inhibited Ribosome inactivating protein from Momordica balsamina at 1.69 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ARGININE, GLYCEROL, ...
Authors:Yamini, S, Pandey, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2013-07-23
Release date:2013-08-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structure of arginine inhibited Ribosome inactivating protein from Momordica balsamina at 1.69 A resolution
To be Published
5XEA
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BU of 5xea by Molmil
Structure of Thogoto virus envelope glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ...
Authors:Peng, R, Shi, Y, Qi, J, Gao, G.F.
Deposit date:2017-04-03
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Structures of human-infecting Thogotovirus fusogens support a common ancestor with insect baculovirus
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6LD2
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BU of 6ld2 by Molmil
Zika NS5 polymerase domain
Descriptor: (1S,2S,4S,5R)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid, RNA-directed RNA polymerase NS5, ZINC ION
Authors:El Sahili, A, Lescar, J.
Deposit date:2019-11-20
Release date:2020-08-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
6LD1
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BU of 6ld1 by Molmil
Zika NS5 polymerase domain
Descriptor: 1,2-ETHANEDIOL, RNA-directed RNA polymerase NS5, ZINC ION
Authors:El Sahili, A, Lescar, J.
Deposit date:2019-11-20
Release date:2020-08-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
7L3N
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BU of 7l3n by Molmil
SARS-CoV 2 Spike Protein bound to LY-CoV555
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV555 Fab heavy chain, ...
Authors:Goldsmith, J.A, McLellan, J.S.
Deposit date:2020-12-18
Release date:2021-02-03
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:LY-CoV555, a rapidly isolated potent neutralizing antibody, provides protection in a non-human primate model of SARS-CoV-2 infection.
Biorxiv, 2020
6LD5
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BU of 6ld5 by Molmil
Zika NS5 polymerase domain
Descriptor: 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid, RNA-directed RNA polymerase NS5, ZINC ION, ...
Authors:El Sahili, A, Lescar, J.
Deposit date:2019-11-20
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
3NS7
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BU of 3ns7 by Molmil
Succinic Acid Amides as P2-P3 Replacements for Inhibitors of Interleukin-1beta Converting Enzyme (ICE or Caspase 1)
Descriptor: (3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid, Caspase-1
Authors:Galatsis, P.
Deposit date:2010-07-01
Release date:2011-08-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Succinic acid amides as P2-P3 replacements for inhibitors of interleukin-1beta converting enzyme (ICE or caspase 1).
Bioorg.Med.Chem.Lett., 20, 2010
7L12
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BU of 7l12 by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 14
Descriptor: (5S)-5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}pyrimidine-2,4(3H,5H)-dione, 3C-like proteinase
Authors:Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S.
Deposit date:2020-12-14
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
7L14
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BU of 7l14 by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 26
Descriptor: 2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}benzonitrile, 3C-like proteinase
Authors:Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S.
Deposit date:2020-12-14
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
8FBO
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BU of 8fbo by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_102
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
7L13
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BU of 7l13 by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 21
Descriptor: (5S)-5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo[2H-[1,3'-bipyridine]]-5-yl)pyrimidine-2,4(3H,5H)-dione, 3C-like proteinase
Authors:Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S.
Deposit date:2020-12-14
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
8FBN
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BU of 8fbn by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_73
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
7L10
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BU of 7l10 by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2 (2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 4
Descriptor: 2-[3-(3,5-dichlorophenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile, 3C-like proteinase
Authors:Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S.
Deposit date:2020-12-13
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
8FBJ
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BU of 8fbj by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_60
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBI
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BU of 8fbi by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_39
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.61 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBK
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BU of 8fbk by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_65
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
7L11
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BU of 7l11 by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 5
Descriptor: 2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile, 3C-like proteinase
Authors:Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S.
Deposit date:2020-12-14
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
6LD4
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BU of 6ld4 by Molmil
Zika NS5 polymerase domain
Descriptor: 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid, 3-methoxybenzenesulfonamide, RNA-directed RNA polymerase NS5, ...
Authors:El Sahili, A, Lescar, J.
Deposit date:2019-11-20
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
6LD3
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BU of 6ld3 by Molmil
Zika NS5 polymerase domain
Descriptor: 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid, RNA-directed RNA polymerase NS5, ZINC ION, ...
Authors:El Sahili, A, Lescar, J.
Deposit date:2019-11-20
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
8FGX
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BU of 8fgx by Molmil
Cryo-EM structure of the STAR-0215 Fab in complex with active human plasma kallikrein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasma kallikrein light chain, STAR-0215 Heavy chain, ...
Authors:Fuller, J.R, Biris, N, Bista, P.
Deposit date:2022-12-13
Release date:2023-09-06
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:STAR-0215 is a Novel, Long-Acting Monoclonal Antibody Inhibitor of Plasma Kallikrein for the Potential Treatment of Hereditary Angioedema.
J.Pharmacol.Exp.Ther., 387, 2023

223790

數據於2024-08-14公開中

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