7EN8
 
 | | Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04 | | Descriptor: | 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide | | Authors: | Hou, N, Peng, C, Hu, Q. | | Deposit date: | 2021-04-16 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
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7END
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7ENE
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7EN9
 | | Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02 | | Descriptor: | 3C-like proteinase, 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide | | Authors: | Hou, N, Peng, C, Hu, Q. | | Deposit date: | 2021-04-16 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
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6K1N
 | | PLP-bound form of a putative cystathionine gamma-lyase | | Descriptor: | Cystathionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Chen, S, Wang, Y. | | Deposit date: | 2019-05-10 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structural characterization of cystathionine gamma-lyase smCSE enables aqueous metal quantum dot biosynthesis.
Int.J.Biol.Macromol., 174, 2021
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6LGN
 | | The atomic structure of varicella zoster virus C-capsid | | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ... | | Authors: | Li, S, Zheng, Q. | | Deposit date: | 2019-12-05 | | Release date: | 2020-07-29 | | Last modified: | 2021-08-11 | | Method: | ELECTRON MICROSCOPY (5.3 Å) | | Cite: | Near-atomic cryo-electron microscopy structures of varicella-zoster virus capsids.
Nat Microbiol, 5, 2020
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6LGL
 | | The atomic structure of varicella-zoster virus A-capsid | | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ... | | Authors: | Zheng, Q, Li, S. | | Deposit date: | 2019-12-05 | | Release date: | 2020-07-29 | | Last modified: | 2021-08-11 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Near-atomic cryo-electron microscopy structures of varicella-zoster virus capsids.
Nat Microbiol, 5, 2020
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6MUM
 | | Murine PI3K delta kinsae domain - cpd 3 | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, [(3S)-3-{[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone | | Authors: | Fischmann, T.O. | | Deposit date: | 2018-10-23 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability.
J.Med.Chem., 62, 2019
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6MUL
 | | Murine PI3K delta kinsae domain - cpd 1 | | Descriptor: | 1-{1-[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Fischmann, T.O. | | Deposit date: | 2018-10-23 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability.
J.Med.Chem., 62, 2019
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7XRQ
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7KMT
 | | Structure of the yeast TRAPPIII-Ypt1(Rab1) complex | | Descriptor: | GTP-binding protein YPT1, PALMITIC ACID, Trafficking protein particle complex III-specific subunit 85, ... | | Authors: | Joiner, A.M.N, Phillips, B.P, Miller, E.A, Fromme, J.C. | | Deposit date: | 2020-11-03 | | Release date: | 2021-06-02 | | Last modified: | 2021-06-23 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural basis of TRAPPIII-mediated Rab1 activation.
Embo J., 40, 2021
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7KMJ
 | | Hsa Siglec and Unique domains in complex with Sialyl Lewis C | | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Streptococcal hemagglutinin | | Authors: | Stubbs, H.E, Iverson, T.M. | | Deposit date: | 2020-11-03 | | Release date: | 2022-05-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation.
Nat Commun, 13, 2022
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8IX3
 | | Cryo-EM structure of SARS-CoV-2 BA.4/5 spike protein in complex with 1G11 (local refinement) | | Descriptor: | BA.4/5 variant spike protein, heavy chain of 1G11, light chain of 1G11 | | Authors: | Sun, H, Jiang, Y, Zheng, Z, Zheng, Q, Li, S. | | Deposit date: | 2023-03-31 | | Release date: | 2023-11-15 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.98 Å) | | Cite: | Structural basis for broad neutralization of human antibody against Omicron sublineages and evasion by XBB variant.
J.Virol., 97, 2023
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7XE4
 | | structure of a membrane-bound glycosyltransferase | | Descriptor: | (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Hu, X.L, Yang, P, Zhang, M, Liu, X.T, Yu, H.J. | | Deposit date: | 2022-03-29 | | Release date: | 2023-03-29 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural and mechanistic insights into fungal beta-1,3-glucan synthase FKS1.
Nature, 616, 2023
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5WHT
 | | Crystal structure of 3'SL bound PltB | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, ... | | Authors: | Gao, X, Galan, J.E. | | Deposit date: | 2017-07-18 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.932 Å) | | Cite: | Evolution of host adaptation in the Salmonella typhoid toxin.
Nat Microbiol, 2, 2017
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5WHU
 | | Crystal structure of 3'SL bound ArtB | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ArtB protein, ... | | Authors: | Gao, X, Galan, J.E. | | Deposit date: | 2017-07-18 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Evolution of host adaptation in the Salmonella typhoid toxin.
Nat Microbiol, 2, 2017
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5IJ2
 | | SrpA adhesin in complex with sialyllactosamine | | Descriptor: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Iverson, T.M. | | Deposit date: | 2016-03-01 | | Release date: | 2017-02-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.683 Å) | | Cite: | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand.
Biochemistry, 2016
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5IJ1
 | | SrpA adhesin in complex with sialyllactose | | Descriptor: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | | Authors: | Iverson, T.M. | | Deposit date: | 2016-03-01 | | Release date: | 2017-02-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand.
Biochemistry, 2016
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8FCD
 | | HIV-1 Reverse Transcriptase in complex with 6-membered bicyclic core NNRTI | | Descriptor: | 4-[(8-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino]benzonitrile, L(+)-TARTARIC ACID, p51 RT, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2022-12-01 | | Release date: | 2023-02-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties.
J.Med.Chem., 66, 2023
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8FCE
 | | HIV-1 Reverse Transcriptase in complex with 7-membered bicyclic core NNRTI | | Descriptor: | 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]benzonitrile, L(+)-TARTARIC ACID, p51 RT, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2022-12-01 | | Release date: | 2023-02-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties.
J.Med.Chem., 66, 2023
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8FCC
 | | HIV-1 Reverse Transcriptase in complex with 5-membered bicyclic core NNRTI | | Descriptor: | 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]benzonitrile, L(+)-TARTARIC ACID, p51 RT, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2022-12-01 | | Release date: | 2023-02-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties.
J.Med.Chem., 66, 2023
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5IIY
 | | SrpA adhesin in complex with the Neu5Ac-galactoside disaccharide | | Descriptor: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | | Authors: | Iverson, T.M. | | Deposit date: | 2016-03-01 | | Release date: | 2017-02-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.888 Å) | | Cite: | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand.
Biochemistry, 2016
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5IJ3
 | | SrpA adhesin in complex with sialyl T antigen | | Descriptor: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose, ... | | Authors: | Iverson, T.M. | | Deposit date: | 2016-03-01 | | Release date: | 2017-02-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand.
Biochemistry, 2016
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5WC2
 | | Crystal Structure of ADP-bound human TRIP13 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Pachytene checkpoint protein 2 homolog | | Authors: | Jeong, B.-C, Luo, X. | | Deposit date: | 2017-06-29 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanistic insight into TRIP13-catalyzed Mad2 structural transition and spindle checkpoint silencing.
Nat Commun, 8, 2017
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2DWU
 | | Crystal Structure of Glutamate Racemase Isoform RacE1 from Bacillus anthracis | | Descriptor: | D-GLUTAMIC ACID, GLYCEROL, Glutamate racemase, ... | | Authors: | Mehboob, S, Santarsiero, B.D, Johnson, M.E. | | Deposit date: | 2006-08-17 | | Release date: | 2007-06-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Functional Analysis of Two Glutamate Racemase Isozymes from Bacillus anthracis and Implications for Inhibitor Design
J.Mol.Biol., 371, 2007
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