4U5T
| Crystal Structure of VBP Leucine Zipper with Bound Arylstibonic Acid | Descriptor: | (2Z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid, VBP leucine zipper | Authors: | Stagno, J.R, Ji, X. | Deposit date: | 2014-07-25 | Release date: | 2014-08-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.301 Å) | Cite: | P6981, an arylstibonic acid, is a novel low nanomolar inhibitor of cAMP response element-binding protein binding to DNA. Mol.Pharmacol., 82, 2012
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6EBU
| Crystal structure of Aquifex aeolicus LpxE | Descriptor: | LpxE, SULFATE ION, octyl beta-D-glucopyranoside | Authors: | Wu, Q, Wang, S, Zhou, P. | Deposit date: | 2018-08-07 | Release date: | 2019-06-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.372 Å) | Cite: | The Lipid A 1-Phosphatase, LpxE, Functionally Connects Multiple Layers of Bacterial Envelope Biogenesis. Mbio, 10, 2019
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6GMI
| Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in E. coli's Periplasm. | Descriptor: | IRIDIUM (III) ION, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III) | Authors: | Rebelein, J.G. | Deposit date: | 2018-05-26 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in Escherichia coli's Periplasm. J. Am. Chem. Soc., 140, 2018
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6TYY
| Hedgehog autoprocessing mutant D46H | Descriptor: | Protein hedgehog | Authors: | Li, H, Li, Z, Wang, C, Callahan, B.P. | Deposit date: | 2019-08-09 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | General Base Swap Preserves Activity and Expands Substrate Tolerance in Hedgehog Autoprocessing. J.Am.Chem.Soc., 141, 2019
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8E4A
| Pseudomonas LpxC in complex with LPC-233 | Descriptor: | 4-(4-cyclopropylbuta-1,3-diyn-1-yl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Najeeb, J, Zhou, P. | Deposit date: | 2022-08-17 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.034 Å) | Cite: | Preclinical safety and efficacy characterization of an LpxC inhibitor against Gram-negative pathogens. Sci Transl Med, 15, 2023
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5UFK
| Structure of the effector protein SidK (lpg0968) from Legionella pneumophila | Descriptor: | GLYCEROL, effector protein SidK | Authors: | Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M. | Deposit date: | 2017-01-04 | Release date: | 2017-05-10 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein. PLoS Pathog., 13, 2017
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5UF5
| Structure of the effector protein SidK (lpg0968) from Legionella pneumophila (domain-swapped dimer) | Descriptor: | GLYCEROL, effector protein SidK | Authors: | Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M. | Deposit date: | 2017-01-03 | Release date: | 2017-05-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein. PLoS Pathog., 13, 2017
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3RDH
| X-ray induced covalent inhibition of 14-3-3 | Descriptor: | 14-3-3 protein zeta/delta, 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid, NICKEL (II) ION | Authors: | Horton, J.R, Upadhyay, A.K, Fu, H, Cheng, X. | Deposit date: | 2011-04-01 | Release date: | 2011-09-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor. Proc.Natl.Acad.Sci.USA, 108, 2011
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8JYS
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3CDE
| Crystal structure of HCV NS5B polymerase with a novel Pyridazinone inhibitor | Descriptor: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | Deposit date: | 2008-02-26 | Release date: | 2009-03-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 3: Further optimization of the 2-, 6-, and 7'-substituents and initial pharmacokinetic assessments. Bioorg.Med.Chem.Lett., 18, 2008
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8C3W
| Crystal structure of a computationally designed heme binding protein, dnHEM1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ortmayer, M, Levy, C. | Deposit date: | 2022-12-29 | Release date: | 2023-07-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site. J.Am.Chem.Soc., 145, 2023
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8WGV
| BA.2(S375) Spike (S6P)/hACE2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Wei, X, Zhang, Z. | Deposit date: | 2023-09-22 | Release date: | 2024-02-28 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis. Nat.Immunol., 25, 2024
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8WGW
| Local refinement of RBD-ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Wei, X, Zhang, Z. | Deposit date: | 2023-09-22 | Release date: | 2024-02-28 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis. Nat.Immunol., 25, 2024
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8WFJ
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8WFK
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8WFL
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8WFI
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8H92
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6LPF
| The crystal structure of human cytoplasmic LRS | Descriptor: | 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE, 5'-O-(L-leucylsulfamoyl)adenosine, GLYCEROL, ... | Authors: | Liu, R.J, Long, T, Li, H, Li, J, Zhao, J.H, Lin, J.Z, Palencia, A, Wang, M.Z, Cusack, S, Wang, E.D. | Deposit date: | 2020-01-10 | Release date: | 2020-03-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Molecular basis of the multifaceted functions of human leucyl-tRNA synthetase in protein synthesis and beyond. Nucleic Acids Res., 48, 2020
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8WW2
| GPR3/Gs complex | Descriptor: | CHOLESTEROL HEMISUCCINATE, G-protein coupled receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | He, Y, Xiong, Y. | Deposit date: | 2023-10-24 | Release date: | 2024-02-14 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Identification of oleic acid as an endogenous ligand of GPR3. Cell Res., 34, 2024
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8W9W
| The cryo-EM structure of human sphingomyelin synthase-related protein in complex with ceramide/phosphoethanolamine | Descriptor: | PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Sphingomyelin synthase-related protein 1, ~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide | Authors: | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | Deposit date: | 2023-09-06 | Release date: | 2024-02-28 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis. Nat.Struct.Mol.Biol., 2024
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8W9Y
| The cryo-EM structure of human sphingomyelin synthase-related protein | Descriptor: | Sphingomyelin synthase-related protein 1 | Authors: | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | Deposit date: | 2023-09-06 | Release date: | 2024-02-28 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis. Nat.Struct.Mol.Biol., 2024
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8ZC4
| SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with 3 D1F6 Fabs (2 RBD up) | 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 D1F6 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | Deposit date: | 2024-04-28 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.95 Å) | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike. Cell Rep, 43, 2024
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8ZC0
| SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with 3 D1F6 Fabs (2 RBD up) | 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 D1F6 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | Deposit date: | 2024-04-28 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.17 Å) | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike. Cell Rep, 43, 2024
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8ZC6
| SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | Deposit date: | 2024-04-28 | Release date: | 2024-05-29 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (6.85 Å) | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike. Cell Rep, 43, 2024
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