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5W4L
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BU of 5w4l by Molmil
Crystal structure of the non-neutralizing and ADCC-potent C11-like antibody N12-i3 in complex with HIV-1 clade A/E gp120, the CD4 mimetic M48U1, and the antibody N5-i5.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody N12-i3 Fab heavy chain, Antibody N12-i3 light chain, ...
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2017-06-12
Release date:2017-11-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Targeting the Late Stage of HIV-1 Entry for Antibody-Dependent Cellular Cytotoxicity: Structural Basis for Env Epitopes in the C11 Region.
Structure, 25, 2017
7S4S
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BU of 7s4s by Molmil
Crystal Structure of SARS-CoV-2 S receptor-binding domain (RBD) in complex CoV11 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CoV11 heavy chain, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2021-09-09
Release date:2021-09-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The molecular basis of the neutralization breadth of the RBD-specific antibody CoV11.
Front Immunol, 14, 2023
7RQ6
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BU of 7rq6 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with non-neutralizing NTD-directed CV3-13 Fab isolated from convalescent individual
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CV3-13 Fab heavy chain, ...
Authors:Chen, Y, Pozharski, E, Tolbert, W.D, Pazgier, M.
Deposit date:2021-08-05
Release date:2022-04-20
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (4.18 Å)
Cite:A Fc-enhanced NTD-binding non-neutralizing antibody delays virus spread and synergizes with a nAb to protect mice from lethal SARS-CoV-2 infection.
Cell Rep, 38, 2022
7NAB
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BU of 7nab by Molmil
Crystal structure of human neutralizing mAb CV3-25 binding to SARS-CoV-2 S MPER peptide 1140-1165
Descriptor: CITRIC ACID, CV3-25 Fab Heavy Chain, CV3-25 Fab Light Chain, ...
Authors:Chen, Y, Tolbert, W.D, Pazgier, M.
Deposit date:2021-06-21
Release date:2021-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis and mode of action for two broadly neutralizing antibodies against SARS-CoV-2 emerging variants of concern.
Cell Rep, 38, 2022
7RPV
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BU of 7rpv by Molmil
Crystal structure of affinity-enhancing and catalytically inactive ACE2 in complex with SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Chen, Y, Tolbert, D.W, Pazgier, M.
Deposit date:2021-08-04
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.54 Å)
Cite:Engineered ACE2-Fc counters murine lethal SARS-CoV-2 infection through direct neutralization and Fc-effector activities.
Biorxiv, 2021
6PCU
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BU of 6pcu by Molmil
VP8* of a G2P[4] human rotavirus in complex with scFv antibody 9
Descriptor: GLYCEROL, Outer capsid protein VP4, SULFATE ION, ...
Authors:Hu, L, Venkataram Prasad, B.V.
Deposit date:2019-06-18
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human VP8* mAbs neutralize rotavirus selectively in human intestinal epithelial cells.
J.Clin.Invest., 130, 2019
8DCQ
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BU of 8dcq by Molmil
CRYSTAL STRUCTURE OF HIV-1 LM/HT CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH YIR-821
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 LM/HT Clade A/E CRF01 gp120 core, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2022-06-17
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Characterization of a Novel CD4 Mimetic Compound YIR-821 against HIV-1 Clinical Isolates.
J.Virol., 97, 2023
6VSL
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BU of 6vsl by Molmil
Crystal structure of a human fucosylated IgG1 Fc expressed in tobacco plants (Nicotiana benthamiana)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2020-02-11
Release date:2021-02-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enhanced Ability of Plant-Derived PGT121 Glycovariants To Eliminate HIV-1-Infected Cells.
J.Virol., 95, 2021
6VSZ
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BU of 6vsz by Molmil
Crystal structure of a human afucosylated IgG1 Fc expressed in tobacco plants (Nicotiana benthamiana)
Descriptor: Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2020-02-12
Release date:2021-02-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Enhanced Ability of Plant-Derived PGT121 Glycovariants To Eliminate HIV-1-Infected Cells.
J.Virol., 95, 2021
6W4M
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BU of 6w4m by Molmil
CRYSTAL STRUCTURE OF THE ADCC-POTENT, WEAKLY NEUTRALIZING HIV ENV CO-RECEPTOR BINDING SITE ANTIBODY N12-I2 FAB IN COMPLEX WITH HIV-1 CLADE A/E GP120 AND M48U1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTI-HIV ANTIBODY N12-I2 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY N12-I2 FAB LIGHT CHAIN, ...
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2020-03-11
Release date:2020-08-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Defining rules governing recognition and Fc-mediated effector functions to the HIV-1 co-receptor binding site.
Bmc Biol., 18, 2020
6OOO
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BU of 6ooo by Molmil
Crystal structure of HIV-1 LM/HT Clade A/E CRF01 gp120 core in complex with (S)-MCG-IV-226.
Descriptor: (3S,5R)-5-amino-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Sherburn, R, Pazgier, M.
Deposit date:2019-04-23
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Optimization of Small Molecules That Sensitize HIV-1 Infected Cells to Antibody-Dependent Cellular Cytotoxicity.
Acs Med.Chem.Lett., 11, 2020
7RU6
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BU of 7ru6 by Molmil
Cryo-EM structure of the HIV-1 restriction factor human SERINC3
Descriptor: Serine incorporator 3, SiA
Authors:Purdy, M.D, Leonhardt, S.A, Yeager, M.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2023-09-06
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Antiviral HIV-1 SERINC restriction factors disrupt virus membrane asymmetry.
Nat Commun, 14, 2023
7RUG
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BU of 7rug by Molmil
Human SERINC3-DeltaICL4
Descriptor: Serine incorporator 3, SiA
Authors:Purdy, M.D, Leonhardt, S.A, Yeager, M.
Deposit date:2021-08-17
Release date:2022-08-24
Last modified:2023-09-06
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Antiviral HIV-1 SERINC restriction factors disrupt virus membrane asymmetry.
Nat Commun, 14, 2023
7URS
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BU of 7urs by Molmil
Crystal Structure of SARS-CoV-2 S delta variant receptor-binding domain (RBD) in complex CoV11 Fab crystal form 2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COV11 Fab HEAVY CHAIN, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2022-04-22
Release date:2022-05-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The molecular basis of the neutralization breadth of the RBD-specific antibody CoV11.
Front Immunol, 14, 2023
7URQ
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BU of 7urq by Molmil
Crystal Structure of SARS-CoV-2 S delta variant receptor-binding domain (RBD) in complex CoV11 Fab crystal form 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, COV11 Fab HEAVY CHAIN, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2022-04-22
Release date:2022-05-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The molecular basis of the neutralization breadth of the RBD-specific antibody CoV11.
Front Immunol, 14, 2023
5DRZ
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BU of 5drz by Molmil
Crystal structure of anti-HIV-1 antibody F240 Fab in complex with gp41 peptide
Descriptor: Envelope glycoprotein gp160, HIV Antibody F240 Heavy Chain, HIV Antibody F240 Light Chain, ...
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2015-09-16
Release date:2016-10-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Molecular basis for epitope recognition by non-neutralizing anti-gp41 antibody F240.
Sci Rep, 6, 2016
6IIK
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BU of 6iik by Molmil
USP14 catalytic domain with IU1
Descriptor: 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14
Authors:Mei, Z.Q, Wang, Y.W, He, W, Wang, F.
Deposit date:2018-10-06
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
6IIN
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BU of 6iin by Molmil
USP14 catalytic domain with IU1-248
Descriptor: 4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile, Ubiquitin carboxyl-terminal hydrolase 14
Authors:Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W.
Deposit date:2018-10-07
Release date:2018-12-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
6IIM
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BU of 6iim by Molmil
USP14 catalytic domain with IU1-206
Descriptor: 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14
Authors:Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W.
Deposit date:2018-10-07
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
7UL1
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BU of 7ul1 by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with the neutralizing IGHV3-53-encoded antibody EH3 isolated from a nonvaccinated pediatric patient
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of EH3, Light chain of EH3, ...
Authors:Chen, Y, Tolbert, W.D, Pazgier, M.
Deposit date:2022-04-03
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Molecular basis for antiviral activity of two pediatric neutralizing antibodies targeting SARS-CoV-2 Spike RBD.
Iscience, 26, 2023
7UL0
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BU of 7ul0 by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with the ridge-binding nAb EH8 isolated from a nonvaccinated pediatric patient
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of EH8, ...
Authors:Chen, Y, Tolbert, W.D, Bai, X, Pazgier, M.
Deposit date:2022-04-03
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Molecular basis for antiviral activity of two pediatric neutralizing antibodies targeting SARS-CoV-2 Spike RBD.
Iscience, 26, 2023
8VCN
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BU of 8vcn by Molmil
GluER mutant - W66F F269Y Q293T F68Y T36E P263L
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Jeffrey, P.D, Sorigue, D.R, Liu, Y, Hyster, T.K.
Deposit date:2023-12-14
Release date:2024-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Asymmetric Synthesis of alpha-Chloroamides via Photoenzymatic Hydroalkylation of Olefins.
J.Am.Chem.Soc., 146, 2024
7K4F
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BU of 7k4f by Molmil
Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 31
Descriptor: 5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6
Authors:Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I.
Deposit date:2020-09-15
Release date:2020-12-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
7K4C
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BU of 7k4c by Molmil
Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor Br-cis-22a
Descriptor: 1-(5-bromopyridin-3-yl)-4-[cis-4-(3-methylphenyl)cyclohexyl]piperazine, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6
Authors:Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I.
Deposit date:2020-09-15
Release date:2020-12-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
7K4E
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BU of 7k4e by Molmil
Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 30
Descriptor: 5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one, Transient receptor potential cation channel subfamily V member 6
Authors:Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I.
Deposit date:2020-09-15
Release date:2020-12-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.34 Å)
Cite:Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020

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