4CV3
 
 | | Crystal structure of E. coli FabI in complex with NADH and PT166 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH] | | Authors: | Eltschkner, S, Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | | Deposit date: | 2014-03-22 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
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4CUZ
 | | Crystal structure of S. aureus FabI in complex with NADPH and PT173 | | Descriptor: | 1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one, ENOYL-ACP REDUCTASE MOLECULE ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | | Deposit date: | 2014-03-22 | | Release date: | 2014-04-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
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8IV5
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 1C4 (local refinement) | | Descriptor: | Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ... | | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | Deposit date: | 2023-03-26 | | Release date: | 2023-08-16 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
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8IV8
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 3E2 and 1C4 (local refinement) | | Descriptor: | Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ... | | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | Deposit date: | 2023-03-26 | | Release date: | 2023-08-16 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.92 Å) | | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
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8IVA
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs XMA01 and 3E2 (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ... | | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | Deposit date: | 2023-03-26 | | Release date: | 2023-08-16 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.95 Å) | | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
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8IV4
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 3E2 (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ... | | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | Deposit date: | 2023-03-26 | | Release date: | 2023-08-16 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
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7CFS
 | | Cryo-EM strucutre of human acid-sensing ion channel 1a at pH 8.0 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L. | | Deposit date: | 2020-06-28 | | Release date: | 2020-10-21 | | Method: | ELECTRON MICROSCOPY (3.56 Å) | | Cite: | Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020
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8GPY
 | | Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv | | Descriptor: | Spike protein S1, scFv | | Authors: | Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y. | | Deposit date: | 2022-08-27 | | Release date: | 2023-06-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
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7CFT
 | | Cryo-EM strucutre of human acid-sensing ion channel 1a in complex with snake toxin Mambalgin1 at pH 8.0 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, Mambalgin-1 | | Authors: | Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L. | | Deposit date: | 2020-06-28 | | Release date: | 2020-10-21 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020
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7CHO
 | | Crystal structure of SARS-CoV-2 antibody P5A-1D2 with RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-1D2 heavy chain, ... | | Authors: | Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q. | | Deposit date: | 2020-07-06 | | Release date: | 2021-05-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.561 Å) | | Cite: | Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
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7CHS
 | | Crystal structure of SARS-CoV-2 antibody P22A-1D1 with RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P22A-1D1 heavy chain, ... | | Authors: | Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q. | | Deposit date: | 2020-07-06 | | Release date: | 2021-05-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
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7CHP
 | | Crystal structure of SARS-CoV-2 antibody P5A-3C8 with RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-3C8 heavy chain, ... | | Authors: | Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q. | | Deposit date: | 2020-07-06 | | Release date: | 2021-05-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.357 Å) | | Cite: | Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
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6KOE
 | | X-ray Structure of the proton-pumping cytochrome aa3-600 menaquinol oxidase from Bacillus subtilis | | Descriptor: | 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, AA3-600 quinol oxidase subunit I, AA3-600 quinol oxidase subunit IIII, ... | | Authors: | Xu, J, Ding, Z, Liu, B, Li, J, Gennis, R.B, Zhu, J. | | Deposit date: | 2019-08-09 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.75 Å) | | Cite: | Structure of the cytochromeaa3-600 heme-copper menaquinol oxidase bound to inhibitor HQNO shows TM0 is part of the quinol binding site.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6KOC
 | | X-ray Structure of the proton-pumping cytochrome aa3-600 menaquinol oxidase from Bacillus subtilis complexed with 3-iodo-N-oxo-2-heptyl-4-hydroxyquinoline | | Descriptor: | 2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one, AA3-600 quinol oxidase subunit I, AA3-600 quinol oxidase subunit IIII, ... | | Authors: | Xu, J, Ding, Z, Liu, B, Li, J, Gennis, R.B, Zhu, J. | | Deposit date: | 2019-08-09 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structure of the cytochromeaa3-600 heme-copper menaquinol oxidase bound to inhibitor HQNO shows TM0 is part of the quinol binding site.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8HL8
 | | Crystal structrue of MtdL R257K mutant | | Descriptor: | MANGANESE (II) ION, Transglycosylse | | Authors: | Li, F.D, He, C. | | Deposit date: | 2022-11-29 | | Release date: | 2023-03-29 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
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6KOB
 | | X-ray Structure of the proton-pumping cytochrome aa3-600 menaquinol oxidase from Bacillus subtilis | | Descriptor: | AA3-600 quinol oxidase subunit I, AA3-600 quinol oxidase subunit IIII, AA3-600 quinol oxidase subunit IV,Quinol oxidase subunit 4, ... | | Authors: | Xu, J, Ding, Z, Liu, B, Li, J, Gennis, R.B, Zhu, J. | | Deposit date: | 2019-08-09 | | Release date: | 2020-01-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structure of the cytochromeaa3-600 heme-copper menaquinol oxidase bound to inhibitor HQNO shows TM0 is part of the quinol binding site.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4FLH
 | | Crystal structure of human PI3K-gamma in complex with AMG511 | | Descriptor: | 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2012-06-14 | | Release date: | 2012-08-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Selective Class I Phosphoinositide 3-Kinase Inhibitors: Optimization of a Series of Pyridyltriazines Leading to the Identification of a Clinical Candidate, AMG 511.
J.Med.Chem., 55, 2012
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4GUP
 | | Structure of MHC-class I related molecule MR1 | | Descriptor: | 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde, Beta-2-microglobulin, CHLORIDE ION, ... | | Authors: | Patel, O, Le Nours, J, Rossjohn, J. | | Deposit date: | 2012-08-29 | | Release date: | 2012-10-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | MR1 presents microbial vitamin B metabolites to MAIT cells
Nature, 491, 2012
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3QK0
 | | Crystal structure of PI3K-gamma in complex with benzothiazole 82 | | Descriptor: | N-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2011-01-31 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.
J.Med.Chem., 54, 2011
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7L2C
 | | Crystallographic structure of neutralizing antibody 2-51 in complex with SARS-CoV-2 spike N-terminal domain (NTD) | | Descriptor: | 2-51 heavy chain, 2-51 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cerutti, G, Reddem, E.R, Shapiro, L. | | Deposit date: | 2020-12-16 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite.
Cell Host Microbe, 29, 2021
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7L2E
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7L2F
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7L2D
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7L57
 | | Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-15 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rapp, M, Shapiro, L. | | Deposit date: | 2020-12-21 | | Release date: | 2021-04-14 | | Last modified: | 2021-04-21 | | Method: | ELECTRON MICROSCOPY (5.87 Å) | | Cite: | Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class.
Cell Rep, 35, 2021
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7L56
 | | Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-43 | | 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 2-43 variable domain heavy chain, ... | | Authors: | Rapp, M, Shapiro, L. | | Deposit date: | 2020-12-21 | | Release date: | 2021-04-14 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class.
Cell Rep, 35, 2021
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