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4NAT
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BU of 4nat by Molmil
Inhibitors of 4-Phosphopanthetheine Adenylyltransferase
Descriptor: (1R,2R)-N-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Lahiri, S.D.
Deposit date:2013-10-22
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
4NAU
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BU of 4nau by Molmil
S. aureus CoaD with Inhibitor
Descriptor: 2-[2-[(1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidine-5-carboxamide, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase
Authors:Lahiri, S.D.
Deposit date:2013-10-22
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
4EZ3
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BU of 4ez3 by Molmil
CDK2 in complex with NSC 134199
Descriptor: 1,2-ETHANEDIOL, 4-[(E)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide, Cyclin-dependent kinase 2
Authors:Alam, R, Martin, M, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2012-05-02
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.
Chembiochem, 13, 2012
8BXJ
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BU of 8bxj by Molmil
apo structure of the specific silver chaperone needed for bacterial silver resistance
Descriptor: Copper ABC transporter substrate-binding protein
Authors:Monneau, Y.R, Walker, O, Hologne, M.
Deposit date:2022-12-08
Release date:2023-10-25
Method:SOLUTION NMR
Cite:The battle for silver binding: How the interplay between the SilE, SilF, and SilB proteins contributes to the silver efflux pump mechanism.
J.Biol.Chem., 299, 2023
5Y4M
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BU of 5y4m by Molmil
Discoidin domain of human CASPR2
Descriptor: 1,2-ETHANEDIOL, human CASPR2 Disc domain
Authors:Liu, H, Xu, F, Zhang, J, Liang, W.
Deposit date:2017-08-04
Release date:2018-08-08
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structural mapping of hot spots within human CASPR2 discoidin domain for autoantibody recognition.
J. Autoimmun., 96, 2019
7THT
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BU of 7tht by Molmil
CryoEM structure of SARS-CoV-2 S protein in complex with Receptor Binding Domain antibody DH1042
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1042 heavy chain, ...
Authors:Manne, K, May, A, Acharya, P.
Deposit date:2022-01-12
Release date:2022-02-16
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TL1
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BU of 7tl1 by Molmil
SARS-CoV-2 Omicron 3-RBD down Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-Omicron)
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:Stalls, V, Acharya, P.
Deposit date:2022-01-18
Release date:2022-02-23
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TL9
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BU of 7tl9 by Molmil
SARS-CoV-2 Omicron 1-RBD up Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-Omicron)
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:Stalls, V, Acharya, P.
Deposit date:2022-01-18
Release date:2022-02-23
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
8G8A
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BU of 8g8a by Molmil
Crystal structure of DH1317.8 Fab in complex with HIV proximal MPER peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1317.8 heavy chain, DH1317.8 light chain, ...
Authors:Janus, B.M, Astavans, A, Ofek, G.
Deposit date:2023-02-17
Release date:2024-05-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 2024
8G8C
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BU of 8g8c by Molmil
Crystal structure of DH1322.1 Fab in complex with HIV proximal MPER peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1322.1 heavy chain, DH1322.1 light chain, ...
Authors:Niyongabo, A, Janus, B.M, Ofek, G.
Deposit date:2023-02-17
Release date:2024-05-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 2024
8G8D
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BU of 8g8d by Molmil
Crystal structure of DH1346 Fab in complex with HIV proximal MPER peptide
Descriptor: DH1346 heavy chain, DH1346 light chain, FLUORIDE ION, ...
Authors:Niyongabo, A, Janus, B.M, Ofek, G.
Deposit date:2023-02-17
Release date:2024-05-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 2024
1QPF
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BU of 1qpf by Molmil
FK506 BINDING PROTEIN (12 KDA, HUMAN) COMPLEX WITH L-709,858
Descriptor: C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN, PROTEIN (FK506-BINDING PROTEIN), heptyl beta-D-glucopyranoside
Authors:Becker, J.W, Rotonda, J.
Deposit date:1999-05-24
Release date:1999-08-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:32-Indolyl ether derivatives of ascomycin: three-dimensional structures of complexes with FK506-binding protein.
J.Med.Chem., 42, 1999
1QPL
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BU of 1qpl by Molmil
FK506 BINDING PROTEIN (12 KDA, HUMAN) COMPLEX WITH L-707,587
Descriptor: C32-O-(1-METHYL-INDOL-5-YL) 18-HYDROXY-ASCOMYCIN, PROTEIN (FK506-BINDING PROTEIN)
Authors:Becker, J.W, Rotonda, J.
Deposit date:1999-05-25
Release date:1999-08-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:32-Indolyl ether derivatives of ascomycin: three-dimensional structures of complexes with FK506-binding protein.
J.Med.Chem., 42, 1999
6U9U
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BU of 6u9u by Molmil
Structure of GM9_TH8seq732127 FAB
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, GM9_TH8seq732127 FAB heavy chain, ...
Authors:Singh, S, Liban, T.J, Pancera, M.
Deposit date:2019-09-09
Release date:2019-11-06
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses.
J.Exp.Med., 217, 2020
6U3Z
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BU of 6u3z by Molmil
Structure of VD20_5A4 Fab
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Dionne, G, Shapiro, L.
Deposit date:2019-08-22
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99002314 Å)
Cite:Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses.
J.Exp.Med., 217, 2020
7TGE
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BU of 7tge by Molmil
SARS-CoV-2 Omicron 1-RBD down Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-Omicron)
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:Stalls, V, Acharya, P.
Deposit date:2022-01-07
Release date:2022-03-09
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TLC
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BU of 7tlc by Molmil
Down-state locked, S2 stabilized rS2d-HexaPro SARS-CoV-2 spike ectodomain in the RBD-down conformation, State 1
Descriptor: Spike glycoprotein
Authors:Henderson, R, Acharya, P.
Deposit date:2022-01-18
Release date:2022-02-02
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TLA
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BU of 7tla by Molmil
Down-state locked rS2d SARS-CoV-2 spike ectodomain in the RBD-down conformation, State 1
Descriptor: Spike glycoprotein
Authors:Henderson, R, Acharya, P.
Deposit date:2022-01-18
Release date:2022-02-02
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TLB
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BU of 7tlb by Molmil
Down-state locked rS2d SARS-CoV-2 spike ectodomain in the RBD-down conformation, State 2
Descriptor: Spike glycoprotein
Authors:Henderson, R, Acharya, P.
Deposit date:2022-01-18
Release date:2022-02-02
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TLD
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BU of 7tld by Molmil
Down-state locked, S2 stabilized rS2d-HexaPro SARS-CoV-2 spike ectodomain in the RBD-down conformation, State 2
Descriptor: Spike glycoprotein
Authors:Henderson, R, Acharya, P.
Deposit date:2022-01-18
Release date:2022-02-02
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TPA
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BU of 7tpa by Molmil
Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 1-RBD-up conformation; Subclassification D14 state
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:Gobeil, S, Acharya, P.
Deposit date:2022-01-25
Release date:2022-02-09
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TOZ
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BU of 7toz by Molmil
Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 3-RBD-down conformation; Subclassification D7 state
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:Gobeil, S, Acharya, P.
Deposit date:2022-01-24
Release date:2022-02-09
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TP7
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BU of 7tp7 by Molmil
Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 1-RBD-up conformation; Subclassification D11 state
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:Gobeil, S, Acharya, P.
Deposit date:2022-01-25
Release date:2022-02-09
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TP9
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BU of 7tp9 by Molmil
Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 1-RBD-up conformation; Subclassification D13 state
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:Gobeil, S, Acharya, P.
Deposit date:2022-01-25
Release date:2022-02-09
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TP8
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BU of 7tp8 by Molmil
Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 1-RBD-up conformation; Subclassification D12 state
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:Gobeil, S, Acharya, P.
Deposit date:2022-01-25
Release date:2022-02-09
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022

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