4Y5Q
 
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8JIO
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7Y0V
 | | The co-crystal structure of BA.1-RBD with Fab-5549 | | Descriptor: | 5549-Fab, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Xiao, J.Y, Zhang, Y. | | Deposit date: | 2022-06-06 | | Release date: | 2022-09-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
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6KFE
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6KFB
 | | Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis bound with thiocyanate | | Descriptor: | Hydroxynitrile lyase, THIOCYANATE ION, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Motojima, F, Izumi, A, Asano, Y. | | Deposit date: | 2019-07-07 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines.
Febs J., 288, 2021
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2IHL
 | | LYSOZYME (E.C.3.2.1.17) (JAPANESE QUAIL) | | Descriptor: | JAPANESE QUAIL EGG WHITE LYSOZYME, SODIUM ION | | Authors: | Houdusse, A, Bentley, G.A, Poljak, R.J, Souchon, H, Zhang, Z. | | Deposit date: | 1993-06-29 | | Release date: | 1994-01-31 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Three-dimensional structure of a heteroclitic antigen-antibody cross-reaction complex.
Proc.Natl.Acad.Sci.Usa, 90, 1993
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8HRX
 | | Cryo-EM structure of human NTCP-myr-preS1-YN9048Fab complex | | Descriptor: | Fab heavy chain from antibody IgG clone number YN9048, Fab light chain from antibody IgG clone number YN9048, PreS1 protein (Fragment), ... | | Authors: | Asami, J, Shimizu, T, Ohto, U. | | Deposit date: | 2022-12-16 | | Release date: | 2024-01-17 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structural basis of hepatitis B virus receptor binding.
Nat.Struct.Mol.Biol., 31, 2024
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8I2N
 | | The RIPK1 kinase domain in complex with QY7-2B compound | | Descriptor: | Receptor-interacting serine/threonine-protein kinase 1, ~{N}-methyl-1-[4-[[[1-methyl-5-(phenylmethyl)pyrazol-3-yl]carbonylamino]methyl]phenyl]benzimidazole-5-carboxamide | | Authors: | Gong, X.Y, Li, Y, Meng, H.Y, Pan, L.F. | | Deposit date: | 2023-01-14 | | Release date: | 2024-01-31 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structure-based development of potent and selective type-II kinase inhibitors of RIPK1.
Acta Pharm Sin B, 14, 2024
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8HRY
 | | Cryo-EM structure of human NTCP-myr-preS1-YN9016Fab complex | | Descriptor: | Fab heavy chain from antibody IgG clone number YN9016, Fab light chain from antibody IgG clone number YN9016, Large S protein (Fragment), ... | | Authors: | Asami, J, Shimizu, T, Ohto, U. | | Deposit date: | 2022-12-16 | | Release date: | 2024-01-17 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Structural basis of hepatitis B virus receptor binding.
Nat.Struct.Mol.Biol., 31, 2024
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8IAK
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7XC3
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7XC4
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain 3 (SARS-unique domain-M) in complex with Oxaprozin | | Descriptor: | 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid, Papain-like protease nsp3 | | Authors: | Li, J, Liu, Y, Gao, J, Ruan, K. | | Deposit date: | 2022-03-22 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Two Binding Sites of SARS-CoV-2 Macrodomain 3 Probed by Oxaprozin and Meclomen.
J.Med.Chem., 65, 2022
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3CWB
 | | Chicken Cytochrome BC1 Complex inhibited by an iodinated analogue of the polyketide Crocacin-D | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, AZIDE ION, CARDIOLIPIN, ... | | Authors: | Huang, L, Cromartie, T, Viner, R, Crowley, P.J, Berry, E.A. | | Deposit date: | 2008-04-21 | | Release date: | 2008-08-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.51 Å) | | Cite: | The role of molecular modeling in the design of analogues of the fungicidal natural products crocacins A and D.
Bioorg.Med.Chem., 16, 2008
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8JY6
 | | Structure of TbAQP2 in complex with anti-trypanosomatid drug melarsoprol | | Descriptor: | Aquaglyceroporin 2, [(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol | | Authors: | Chen, W, Wang, C. | | Deposit date: | 2023-07-03 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural insights into drug transport by an aquaglyceroporin.
Nat Commun, 15, 2024
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8JY7
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8JY8
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7EN3
 | | Crystal structure of tubulin in complex with Tubulysin analogue TGL | | Descriptor: | (2S,4R)-5-(4-fluorophenyl)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[5-methylhexyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-1-oxidanyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wang, Y, Li, W. | | Deposit date: | 2021-04-15 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.643 Å) | | Cite: | The X-ray structure of tubulysin analogue TGL in complex with tubulin and three possible routes for the development of next-generation tubulysin analogues.
Biochem.Biophys.Res.Commun., 565, 2021
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8IZF
 | | Cryo-EM structure of the Lac1-Lip1 (Lip1-S74F) complex | | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, Ceramide synthase LAC1, Ceramide synthase subunit LIP1 | | Authors: | Xie, T, Fang, Q, Gong, X. | | Deposit date: | 2023-04-07 | | Release date: | 2023-12-13 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.85 Å) | | Cite: | Structure and mechanism of a eukaryotic ceramide synthase complex.
Embo J., 42, 2023
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8IZD
 | | Cryo-EM structure of the C26-CoA-bound Lac1-Lip1 complex | | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, Ceramide synthase LAC1, Ceramide synthase subunit LIP1, ... | | Authors: | Xie, T, Fang, Q, Gong, X. | | Deposit date: | 2023-04-07 | | Release date: | 2023-12-13 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Structure and mechanism of a eukaryotic ceramide synthase complex.
Embo J., 42, 2023
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8I0H
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8I0I
 | | dmCTPS with dATP dUTP dGTP and DON | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CTP synthase, DEOXYURIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Guo, C.J, Liu, J.L. | | Deposit date: | 2023-01-11 | | Release date: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural basis of bifunctional CTP/dCTP synthase
Biorxiv, 2023
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7DAF
 | | IXA in complex with tubulin | | Descriptor: | (1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wu, C, Wang, Y. | | Deposit date: | 2020-10-16 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.
Biochem.Biophys.Res.Commun., 534, 2021
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7DAD
 | | EPD in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wang, Y, Wu, C. | | Deposit date: | 2020-10-16 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.
Biochem.Biophys.Res.Commun., 534, 2021
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8IAJ
 | | Cryo-EM structure of the yeast SPT-ORM2 (ORM2-S3A) complex | | Descriptor: | N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide, PYRIDOXAL-5'-PHOSPHATE, Protein ORM2, ... | | Authors: | Xie, T, Gong, X. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Collaborative regulation of yeast SPT-Orm2 complex by phosphorylation and ceramide.
Cell Rep, 43, 2024
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8IAM
 | | Cryo-EM structure of the yeast SPT-ORM2 (ORM2-S3D) complex | | Descriptor: | Chimera of Long chain base biosynthesis protein 1 and Serine palmitoyltransferase 1, N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Xie, T, Gong, X. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Collaborative regulation of yeast SPT-Orm2 complex by phosphorylation and ceramide.
Cell Rep, 43, 2024
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