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6XJY
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BU of 6xjy by Molmil
Crystal structure of a self-alkylating ribozyme - short time incubation with the epoxide substrate
Descriptor: Fab HAVx Heavy Chain, Fab HAVx Light Chain, Self-alkylating ribozyme (58-MER)
Authors:Koirala, D, Piccirilli, J.A.
Deposit date:2020-06-24
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.156 Å)
Cite:Structural basis for substrate binding and catalysis by a self-alkylating ribozyme.
Nat.Chem.Biol., 18, 2022
6XJQ
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BU of 6xjq by Molmil
Crystal structure of a self-alkylating ribozyme - alkylated form with biotinylated epoxide substrate
Descriptor: 2-{[(4R)-4-hydroxyhexyl]oxy}ethyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate, Fab HAVx Heavy Chain, Fab HAVx Light Chain, ...
Authors:Koirala, D, Piccirilli, J.A.
Deposit date:2020-06-24
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.708 Å)
Cite:Structural basis for substrate binding and catalysis by a self-alkylating ribozyme.
Nat.Chem.Biol., 18, 2022
6XJZ
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BU of 6xjz by Molmil
Crystal structure of a self-alkylating ribozyme - apo form
Descriptor: Fab HAVx Heavy Chain, Fab HAVx Light Chain, Self-alkylating ribozyme (58-MER)
Authors:Koirala, D, Piccirilli, J.A.
Deposit date:2020-06-24
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.488 Å)
Cite:Structural basis for substrate binding and catalysis by a self-alkylating ribozyme.
Nat.Chem.Biol., 18, 2022
6XJW
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BU of 6xjw by Molmil
Crystal structure of a self-alkylating ribozyme - alkylated form without biotin moiety
Descriptor: 2-{[(4R)-4-hydroxyhexyl]oxy}ethyl pentanoate, Fab HAVx Heavy Chain, Fab HAVx Light Chain, ...
Authors:Koirala, D, Piccirilli, J.A.
Deposit date:2020-06-24
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.918 Å)
Cite:Structural basis for substrate binding and catalysis by a self-alkylating ribozyme.
Nat.Chem.Biol., 18, 2022
6X82
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BU of 6x82 by Molmil
Crystal Structure of TNFalpha with isoquinoline compound 4
Descriptor: 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline, Tumor necrosis factor
Authors:Longenecker, K.L, Stoll, V.S.
Deposit date:2020-06-01
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
6X86
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BU of 6x86 by Molmil
Crystal Structure of TNFalpha with indolinone compound 11
Descriptor: 3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile, Tumor necrosis factor
Authors:Longenecker, K.L, Stoll, V.S.
Deposit date:2020-06-01
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
6WZO
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BU of 6wzo by Molmil
Structure of SARS-CoV-2 Nucleocapsid dimerization domain, P1 form
Descriptor: Nucleoprotein
Authors:Ye, Q, Corbett, K.D.
Deposit date:2020-05-14
Release date:2020-05-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Architecture and self-assembly of the SARS-CoV-2 nucleocapsid protein.
Protein Sci., 29, 2020
6XM5
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BU of 6xm5 by Molmil
Structure of SARS-CoV-2 spike at pH 5.5, all RBDs down
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:Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D.
Deposit date:2020-06-29
Release date:2020-07-29
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
6XM4
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BU of 6xm4 by Molmil
Structure of SARS-CoV-2 spike at pH 5.5, single RBD up, conformation 2
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:Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D.
Deposit date:2020-06-29
Release date:2020-08-12
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
6X83
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BU of 6x83 by Molmil
Crystal Structure of TNFalpha with fragment compound 6
Descriptor: 1-benzyl-1H-benzimidazole, Tumor necrosis factor
Authors:Longenecker, K.L, Stoll, V.S.
Deposit date:2020-06-01
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
6XM0
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BU of 6xm0 by Molmil
Consensus structure of SARS-CoV-2 spike at pH 5.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D.
Deposit date:2020-06-29
Release date:2020-08-12
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
6Z1V
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BU of 6z1v by Molmil
Structure of the EC2 domain of CD9 in complex with nanobody 4E8
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CD9 antigen, ...
Authors:Oosterheert, W, Pearce, N.M, Gros, P.
Deposit date:2020-05-14
Release date:2020-09-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Implications for tetraspanin-enriched microdomain assembly based on structures of CD9 with EWI-F.
Life Sci Alliance, 3, 2020
6Z20
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BU of 6z20 by Molmil
Structure of the EC2 domain of CD9 in complex with nanobody 4C8
Descriptor: CD9 antigen, CHLORIDE ION, GLYCEROL, ...
Authors:Oosterheert, W, Manshande, J, Pearce, N.M, Lutz, M, Gros, P.
Deposit date:2020-05-14
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Implications for tetraspanin-enriched microdomain assembly based on structures of CD9 with EWI-F.
Life Sci Alliance, 3, 2020
4N6U
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BU of 4n6u by Molmil
Adhiron: a stable and versatile peptide display scaffold - truncated adhiron
Descriptor: Adhiron
Authors:Mcpherson, M, Tomlinson, D, Owen, R.L, Nettleship, J.E, Owens, R.J.
Deposit date:2013-10-14
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Adhiron: a stable and versatile peptide display scaffold for molecular recognition applications.
Protein Eng.Des.Sel., 27, 2014
5VTR
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BU of 5vtr by Molmil
Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin G225L/L226S mutant in complex with 6'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2017-05-18
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Diversity of Functionally Permissive Sequences in the Receptor-Binding Site of Influenza Hemagglutinin.
Cell Host Microbe, 21, 2017
5VU4
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BU of 5vu4 by Molmil
Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin G225Q/L226A mutant in complex with 6'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2017-05-18
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Diversity of Functionally Permissive Sequences in the Receptor-Binding Site of Influenza Hemagglutinin.
Cell Host Microbe, 21, 2017
5VTW
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BU of 5vtw by Molmil
Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin G225M/L226T/S228A mutant in complex with 6'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2017-05-18
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Diversity of Functionally Permissive Sequences in the Receptor-Binding Site of Influenza Hemagglutinin.
Cell Host Microbe, 21, 2017
4N6T
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BU of 4n6t by Molmil
Adhiron: a stable and versatile peptide display scaffold - full length adhiron
Descriptor: Adhiron
Authors:Mcpherson, M, Tomlinson, D, Owen, R.L, Nettleship, J.E, Owens, R.J.
Deposit date:2013-10-14
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Adhiron: a stable and versatile peptide display scaffold for molecular recognition applications.
Protein Eng.Des.Sel., 27, 2014
4KA2
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BU of 4ka2 by Molmil
Crystal structure of CD4-mimetic miniprotein M48U12 in complex with HIV-1 YU2 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 YU2 gp120, M48U12
Authors:Acharya, P, Kwong, P.D.
Deposit date:2013-04-21
Release date:2013-06-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Interfacial Cavity Filling To Optimize CD4-Mimetic Miniprotein Interactions with HIV-1 Surface Glycoprotein.
J.Med.Chem., 56, 2013
8DLK
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BU of 8dlk by Molmil
Cryo-EM structure of SARS-CoV-2 Alpha (B.1.1.7) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-07-08
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
8DLS
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BU of 8dls by Molmil
Cryo-EM structure of SARS-CoV-2 Gamma (P.1) spike protein in complex with Fab 4A8 (focused refinement of NTD and 4A8)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 4A8 heavy chain, ...
Authors:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-07-08
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
8DLV
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BU of 8dlv by Molmil
Cryo-EM structure of SARS-CoV-2 Epsilon (B.1.429) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-07-08
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
8DLT
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BU of 8dlt by Molmil
Cryo-EM structure of SARS-CoV-2 Epsilon (B.1.429) spike protein
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:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-07-08
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
8DLW
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BU of 8dlw by Molmil
Cryo-EM structure of SARS-CoV-2 Epsilon (B.1.429) spike protein in complex with Fab S2M11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab S2M11 heavy chain, ...
Authors:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-07-08
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (2.16 Å)
Cite:SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
8DLN
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BU of 8dln by Molmil
Cryo-EM structure of SARS-CoV-2 Beta (B.1.351) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-07-08
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022

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