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7RIY
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BU of 7riy by Molmil
RNA polymerase II elongation complex with hairpin polyamide Py-Im 1, scaffold 2 soaked with UTP
Descriptor: 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
Authors:Oh, J, Dervan, P.B, Wang, D.
Deposit date:2021-07-20
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RIP
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BU of 7rip by Molmil
RNA polymerase II elongation complex with hairpin polyamide Py-Im 1, scaffold 1 soaked with CTP
Descriptor: 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
Authors:Oh, J, Dervan, P.B, Wang, D.
Deposit date:2021-07-20
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
6N41
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BU of 6n41 by Molmil
Crystal structure of InvbM.18715.a.KN11: Influenza hemagglutinin from strain A/Netherlands/002P1/1951
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-11-16
Release date:2018-12-05
Last modified:2023-05-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural characterisation of hemagglutinin from seven Influenza A H1N1 strains reveal diversity in the C05 antibody recognition site.
Sci Rep, 13, 2023
7RIQ
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BU of 7riq by Molmil
RNA polymerase II elongation complex scaffold 1 without polyamide
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Oh, J, Dervan, P.B, Wang, D.
Deposit date:2021-07-20
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
7REJ
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BU of 7rej by Molmil
Tailspike protein 4 (TSP4) from phage CBA120, residues 1-335, obtained in the presence of NaK-Tartrate
Descriptor: IMIDAZOLE, Tailspike protein
Authors:Chao, K, Shang, X, Grenfield, J, Linden, S.B, Nelson, D.C, Herzberg, O.
Deposit date:2021-07-13
Release date:2022-02-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of Escherichia coli O157:H7 bacteriophage CBA120 tailspike protein 4 baseplate anchor and tailspike assembly domains (TSP4-N).
Sci Rep, 12, 2022
6QH1
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BU of 6qh1 by Molmil
The structure of Schizosaccharomyces pombe PCNA in complex with an Spd1 derived peptide
Descriptor: Proliferating cell nuclear antigen, S-phase delaying protein 1
Authors:Kragelund, B.B, Nielsen, O, Olsen, J.G, Kassem, N, Prestel, A.
Deposit date:2019-01-14
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The structure of Schizosaccharomyces pombe PCNA in complex with an Spd1 derived peptide
To Be Published
7RQR
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BU of 7rqr by Molmil
Structure of chimeric antibody L9heavy_F10light with PfCSP peptide NANPNVDP
Descriptor: 1,2-ETHANEDIOL, F10 Kappa Chain, L9 Heavy Chain, ...
Authors:Hurlburt, N.K, Pancera, M.
Deposit date:2021-08-06
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The light chain of the L9 antibody is critical for binding circumsporozoite protein minor repeats and preventing malaria.
Cell Rep, 38, 2022
7R17
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BU of 7r17 by Molmil
Beta Variant SARS-CoV-2 Spike with 2 Erect RBDs
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:Benton, D.J, Wrobel, A.G, Gamblin, S.J.
Deposit date:2022-02-02
Release date:2022-03-09
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Evolution of the SARS-CoV-2 spike protein in the human host.
Nat Commun, 13, 2022
5IUW
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BU of 5iuw by Molmil
Crystal Structure of Indole-3-acetaldehyde Dehydrogenase in complexed with NAD+ and IAA
Descriptor: 1H-INDOL-3-YLACETIC ACID, Aldehyde dehydrogenase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Lee, S.G, McClerklin, S, Kunkel, B, Jez, J.M.
Deposit date:2016-03-18
Release date:2017-10-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Indole-3-acetaldehyde dehydrogenase-dependent auxin synthesis contributes to virulence of Pseudomonas syringae strain DC3000.
PLoS Pathog., 14, 2018
7R14
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BU of 7r14 by Molmil
Alpha Variant SARS-CoV-2 Spike with 1 Erect RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Benton, D.J, Wrobel, A.G, Gamblin, S.J.
Deposit date:2022-02-02
Release date:2022-03-09
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Evolution of the SARS-CoV-2 spike protein in the human host.
Nat Commun, 13, 2022
7R1B
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BU of 7r1b by Molmil
Mink Variant SARS-CoV-2 Spike with 1 Erect RBD
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:Benton, D.J, Wrobel, A.G, Gamblin, S.J.
Deposit date:2022-02-02
Release date:2022-03-09
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Evolution of the SARS-CoV-2 spike protein in the human host.
Nat Commun, 13, 2022
7R13
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BU of 7r13 by Molmil
Alpha Variant SARS-CoV-2 Spike in Closed 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, Spike glycoprotein
Authors:Benton, D.J, Wrobel, A.G, Gamblin, S.J.
Deposit date:2022-02-02
Release date:2022-03-09
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Evolution of the SARS-CoV-2 spike protein in the human host.
Nat Commun, 13, 2022
7R19
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BU of 7r19 by Molmil
Mink Variant SARS-CoV-2 Spike with 2 Erect RBDs
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:Benton, D.J, Wrobel, A.G, Gamblin, S.J.
Deposit date:2022-02-02
Release date:2022-03-09
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Evolution of the SARS-CoV-2 spike protein in the human host.
Nat Commun, 13, 2022
5IYZ
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BU of 5iyz by Molmil
Tubulin-MMAE complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Waight, A.B, Bargsten, K, Doronina, S, Steinmetz, M.O, Sussman, D, Prota, A.E.
Deposit date:2016-03-24
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of Microtubule Destabilization by Potent Auristatin Anti-Mitotics.
Plos One, 11, 2016
7RRG
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BU of 7rrg by Molmil
Crystal structure of human 0606T1-2 TCR bound to HLA-A*03:01 in complex with a mutant PIK3CA peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Ma, J, Baker, B.M.
Deposit date:2021-08-09
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Immunogenicity and therapeutic targeting of a public neoantigen derived from mutated PIK3CA.
Nat Med, 28, 2022
5J0B
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BU of 5j0b by Molmil
Structure of the immune receptor CD33 in complex with 6'-sialyllactose
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Myeloid cell surface antigen CD33, ...
Authors:Dodd, R.B.
Deposit date:2016-03-28
Release date:2017-04-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:STRUCTURE OF LIGAND BOUND CD33 RECEPTOR ASSOCIATED WITH ALZHEIMER'S DISEASE
To Be Published
7UAS
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BU of 7uas by Molmil
Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization
Descriptor: (5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, WD repeat-containing protein 5
Authors:Zhao, B.
Deposit date:2022-03-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.808 Å)
Cite:Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization.
J.Med.Chem., 65, 2022
8DU5
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BU of 8du5 by Molmil
Murine sialidase-1 (NEU1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Sialidase-1, ...
Authors:Gorelik, A, Illes, K, Nagar, B.
Deposit date:2022-07-26
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of the immunoregulatory sialidase NEU1.
Sci Adv, 9, 2023
4YAM
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BU of 4yam by Molmil
Crystal structure of LigE-apo form from Sphingobium sp. strain SYK-6
Descriptor: Beta-etherase
Authors:Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D.
Deposit date:2015-02-17
Release date:2015-12-16
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:Structural Basis of Stereospecificity in the Bacterial Enzymatic Cleavage of beta-Aryl Ether Bonds in Lignin.
J.Biol.Chem., 291, 2016
6VO1
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BU of 6vo1 by Molmil
BG505 SOSIP.v5.2 in complex with rhesus macaque Fab RM20J
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 gp120, ...
Authors:Cottrell, C.A, Ward, A.B.
Deposit date:2020-01-29
Release date:2020-07-01
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Mapping the immunogenic landscape of near-native HIV-1 envelope trimers in non-human primates.
Plos Pathog., 16, 2020
8BFU
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BU of 8bfu by Molmil
Crystal structure of the apo p110alpha catalytic subunit from homo sapiens
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L.
Deposit date:2022-10-26
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
6VJI
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BU of 6vji by Molmil
Structure of mammalian NEIL2 from Monodelphis domestica
Descriptor: Nei like DNA glycosylase 2, ZINC ION
Authors:Eckenroth, B.E, Doublie, S.
Deposit date:2020-01-16
Release date:2020-08-12
Last modified:2021-01-20
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Unique Structural Features of Mammalian NEIL2 DNA Glycosylase Prime Its Activity for Diverse DNA Substrates and Environments.
Structure, 29, 2021
5KET
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BU of 5ket by Molmil
Structure of the aldo-keto reductase from Coptotermes gestroi
Descriptor: Aldo-keto reductase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Liberato, M.L, Campos, B.M, Tramontina, R, Squina, F.M.
Deposit date:2016-06-10
Release date:2017-01-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The Coptotermes gestroi aldo-keto reductase: a multipurpose enzyme for biorefinery applications.
Biotechnol Biofuels, 10, 2017
5JR2
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BU of 5jr2 by Molmil
Crystal structure of the EphA4 LBD in complex with APYd3 peptide inhibitor
Descriptor: APYd3 peptide, Ephrin type-A receptor 4, GLYCEROL, ...
Authors:Lechtenberg, B.C, Olson, E.J, Pasquale, E.B, Dawson, P.E, Riedl, S.J.
Deposit date:2016-05-05
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Modifications of a Nanomolar Cyclic Peptide Antagonist for the EphA4 Receptor To Achieve High Plasma Stability.
Acs Med.Chem.Lett., 7, 2016
8DVG
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BU of 8dvg by Molmil
Structure of KRAS WT(7-16)-HLA-A*03:01
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, HLA class I histocompatibility antigen, ...
Authors:Wright, K.M, Miller, M, Gabelli, S.B.
Deposit date:2022-07-28
Release date:2023-07-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:Hydrophobic interactions dominate the recognition of a KRAS G12V neoantigen.
Nat Commun, 14, 2023

224004

数据于2024-08-21公开中

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