6DZW
 
 | | Cryo-EM structure of the ts2-inactive human serotonin transporter in complex with paroxetine and 15B8 Fab and 8B6 ScFv | | Descriptor: | 15B8 antibody heavy chain, 15B8 antibody light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Coleman, J.A, Yang, D, Gouaux, E. | | Deposit date: | 2018-07-05 | | Release date: | 2019-04-24 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
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2L89
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8H7Z
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8H7L
 | | Cryo-EM Structure of SARS-CoV-2 BA.2 Spike protein in complex with BA7535 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7535 fab heavt chain, ... | | Authors: | Liu, Z, Yan, A, Gao, Y. | | Deposit date: | 2022-10-20 | | Release date: | 2023-08-30 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024
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7TP3
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K288.2 | | Descriptor: | CACODYLATE ION, K288.2 heavy chain, K288.2 light chain, ... | | Authors: | Yuan, M, Zhu, X, Wilson, I.A. | | Deposit date: | 2022-01-24 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques.
Sci Transl Med, 14, 2022
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7TP4
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K398.22 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, K398.22 heavy chain, ... | | Authors: | Yuan, M, Zhu, X, Wilson, I.A. | | Deposit date: | 2022-01-24 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques.
Sci Transl Med, 14, 2022
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5JYY
 | | Structure-based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-resistant Influenza Viruses | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2-enon ic acid, CALCIUM ION, ... | | Authors: | Fu, L, Wu, Y, Bi, Y, Zhang, S, Lv, X, Qi, J, Li, Y, Lu, X, Yan, J, Gao, G.F, Li, X. | | Deposit date: | 2016-05-15 | | Release date: | 2016-06-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-Resistant Influenza Viruses
J.Med.Chem., 59, 2016
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7RI5
 | | Structure of a BAM in MSP1E3D1 nanodiscs at 4 Angstrom resolution | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Wu, R.R, Noinaj, N. | | Deposit date: | 2021-07-19 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
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7RJ5
 | | The structure of BAM in complex with EspP at 7 Angstrom resolution | | Descriptor: | Maltodextrin-binding protein,Autotransporter outer membrane beta-barrel domain-containing protein chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | | Authors: | Wu, R.R, Noinaj, N. | | Deposit date: | 2021-07-20 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
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7RI6
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7RI7
 | | The structure of BAM in MSP1D1 nanodiscs | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Wu, R.R, Noinaj, N. | | Deposit date: | 2021-07-19 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (8 Å) | | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
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7RI4
 | | Structure of a BAM/EspP(beta9-12) hybrid-barrel intermediate | | Descriptor: | EspPbeta9-12, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | | Authors: | Wu, R.R, Noinaj, N. | | Deposit date: | 2021-07-19 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
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7RI9
 | | The structure of BAM in MSP1E3D1 at 6.9 Angstrom resolution | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Wu, R.R, Noinaj, N. | | Deposit date: | 2021-07-19 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
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7RI8
 | | The structure of BAM in MSP2N2 nanodiscs | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Wu, R.R, Noinaj, N. | | Deposit date: | 2021-07-19 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (7.5 Å) | | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
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5I7V
 | | Crystal structure of B. pseudomallei FabI in complex with NAD and PT02 | | Descriptor: | 2-phenoxy-5-propyl-phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | | Deposit date: | 2016-02-18 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
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5I5D
 | | Salmonella global domain 245 | | Descriptor: | Inner membrane protein YejM | | Authors: | Dong, C, Dong, H. | | Deposit date: | 2016-02-15 | | Release date: | 2017-04-19 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria.
Sci Rep, 6, 2016
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5I9L
 | | Crystal structure of B. pseudomallei FabI in complex with NAD and PT404 | | Descriptor: | 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ... | | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | | Deposit date: | 2016-02-20 | | Release date: | 2017-02-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
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4HRI
 | | Crystal structure of HetR in complex with a 21-bp palindromic DNA at the upstream of the hetP promoter from Anabaena | | Descriptor: | CALCIUM ION, DNA (5'-D(P*AP*TP*GP*AP*GP*GP*GP*GP*TP*TP*AP*GP*AP*CP*CP*CP*CP*TP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*GP*GP*GP*GP*TP*CP*TP*AP*AP*CP*CP*CP*CP*TP*CP*AP*T)-3'), ... | | Authors: | Hu, H.X, Jiang, Y.L, Zhao, M.X, Chen, Y, Zhang, C.C, Zhou, C.Z. | | Deposit date: | 2012-10-28 | | Release date: | 2013-04-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.954 Å) | | Cite: | Structural and biochemical analyses of Anabaena HetR reveal insights into its binding to DNA targets and the inhibitory hexapeptide ERGSGR
To be Published
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3W94
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8I3S
 | | Local CryoEM structure of the SARS-CoV-2 S6P in complex with 7B3 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain od Fab 7B3, Light chain of Fab 7B3, ... | | Authors: | Li, Z, Yu, F, Cao, S, ZHao, H. | | Deposit date: | 2023-01-17 | | Release date: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
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6LAT
 | | The cryo-EM structure of HEV VLP | | Descriptor: | Protein ORF2 | | Authors: | Zheng, Q, He, M, Li, S. | | Deposit date: | 2019-11-13 | | Release date: | 2019-12-04 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Viral neutralization by antibody-imposed physical disruption.
Proc.Natl.Acad.Sci.USA, 2019
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9BKM
 | | DHODH in complex with Ligand 10 | | Descriptor: | (2M,6P)-2-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2024-04-29 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 67, 2024
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9BKN
 | | DHODH in complex with Ligand 16 | | Descriptor: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2024-04-29 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 67, 2024
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9BKO
 | | DHODH in complex with Ligand 26 | | Descriptor: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2024-04-29 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 67, 2024
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3V8W
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