9JLV
 
 | | Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus mutant E256Q in complex with alpha-cyclodextrin | | Descriptor: | CITRATE ANION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, ... | | Authors: | Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F. | | Deposit date: | 2024-09-19 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Mechanistic insights into cyclodextrins as substrates and inhibitors of GH57 family amylopullulanase from Aquifex aeolicus.
J.Struct.Biol., 217, 2025
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9JLT
 | | GH57 family amylopullulanase D352N mutant from Aquifex aeolicus complex with alpha-cyclodextrin | | Descriptor: | Cyclohexakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, Glycoside hydrolase family 57 N-terminal domain-containing protein | | Authors: | Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F. | | Deposit date: | 2024-09-19 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Mechanistic insights into cyclodextrins as substrates and inhibitors of GH57 family amylopullulanase from Aquifex aeolicus.
J.Struct.Biol., 217, 2025
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7AMT
 | | Structure of LuxR with DNA (activation) | | Descriptor: | DNA (5'-D(P*AP*TP*AP*AP*TP*GP*AP*CP*AP*TP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP*AP*AP*TP*GP*TP*CP*AP*TP*TP*AP*T)-3'), HTH-type transcriptional regulator LuxR | | Authors: | Liu, B, Reverter, D. | | Deposit date: | 2020-10-09 | | Release date: | 2021-03-31 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
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7AMN
 | | Structure of LuxR with DNA (repression) | | Descriptor: | DNA (5'-D(P*TP*AP*TP*TP*GP*AP*TP*AP*AP*AP*AP*TP*TP*AP*TP*CP*AP*AP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*TP*GP*AP*TP*AP*AP*TP*TP*TP*TP*AP*TP*CP*AP*AP*TP*A)-3'), HTH-type transcriptional regulator LuxR | | Authors: | Liu, B, Reverter, D. | | Deposit date: | 2020-10-09 | | Release date: | 2021-03-31 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
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3S5L
 | | Crystal structure of CD4 mutant bound to HLA-DR1 | | Descriptor: | GLYCEROL, HA peptide, HLA class II histocompatibility antigen DR beta chain, ... | | Authors: | Li, Y. | | Deposit date: | 2011-05-23 | | Release date: | 2011-09-21 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Affinity maturation of human CD4 by yeast surface display and crystal structure of a CD4-HLA-DR1 complex.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3S4S
 | | Crystal structure of CD4 mutant bound to HLA-DR1 | | Descriptor: | GLYCEROL, HLA class II histocompatibility antigen, DR alpha chain, ... | | Authors: | Li, Y. | | Deposit date: | 2011-05-20 | | Release date: | 2011-09-21 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Affinity maturation of human CD4 by yeast surface display and crystal structure of a CD4-HLA-DR1 complex.
Proc.Natl.Acad.Sci.USA, 108, 2011
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8ZYI
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2IAM
 | | Structural basis for recognition of mutant self by a tumor-specific, MHC class II-restricted TCR | | Descriptor: | 15-mer peptide from Triosephosphate isomerase, CD4+ T cell receptor E8 alpha chain, CD4+ T cell receptor E8 beta chain, ... | | Authors: | Deng, L, Langley, R.J, Mariuzza, R.A. | | Deposit date: | 2006-09-08 | | Release date: | 2007-04-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for the recognition of mutant self by a tumor-specific, MHC class II-restricted T cell receptor
Nat.Immunol., 8, 2007
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2IAN
 | | Structural basis for recognition of mutant self by a tumor-specific, MHC class II-restricted TCR | | Descriptor: | 15-mer peptide from Triosephosphate isomerase, CD4+ T cell receptor E8 alpha chain, CD4+ T cell receptor E8 beta chain, ... | | Authors: | Deng, L, Langley, R.J, Mariuzza, R.A. | | Deposit date: | 2006-09-08 | | Release date: | 2007-04-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for the recognition of mutant self by a tumor-specific, MHC class II-restricted T cell receptor
Nat.Immunol., 8, 2007
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2YYF
 | | Purification and structural characterization of a D-amino acid containing conopeptide, marmophine, from Conus marmoreus | | Descriptor: | M-conotoxin mr12 | | Authors: | Huang, F, Du, W, Han, Y, Wang, C. | | Deposit date: | 2007-04-29 | | Release date: | 2008-04-08 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Purification and structural characterization of a D-amino acid-containing conopeptide, conomarphin, from Conus marmoreus.
Febs J., 275, 2008
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7EPX
 | | S protein of SARS-CoV-2 in complex with GW01 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Shen, Y.P, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q. | | Deposit date: | 2021-04-28 | | Release date: | 2022-05-18 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Novel sarbecovirus bispecific neutralizing antibodies with exceptional breadth and potency against currently circulating SARS-CoV-2 variants and sarbecoviruses.
Cell Discov, 8, 2022
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7FIL
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7FAH
 | | Immune complex of head region of CA09 HA and neutralizing antibody 12H5 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Li, T.T, Xue, W.H, Gu, Y, Li, S.W. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.151 Å) | | Cite: | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
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7FIK
 | | The cryo-EM structure of the CR subunit from X. laevis NPC | | Descriptor: | MGC154553 protein, MGC83295 protein, MGC83926 protein, ... | | Authors: | Shi, Y, Huang, G, Zhan, X. | | Deposit date: | 2021-07-31 | | Release date: | 2022-11-09 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structure of the cytoplasmic ring of the Xenopus laevis nuclear pore complex.
Science, 376, 2022
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6W51
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9JDU
 | | The crystal structure of PDE10A complexed with inhibitor 2061 | | Descriptor: | MAGNESIUM ION, ZINC ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ... | | Authors: | Huang, Y.-Y, Guo, L, Luo, H.-B. | | Deposit date: | 2024-09-01 | | Release date: | 2025-06-25 | | Method: | X-RAY DIFFRACTION (2.3000176 Å) | | Cite: | Discovery of novel azetidine-based imidazopyridines as selective and orally bioavailable inhibitors of phosphodiesterase 10A for the treatment of pulmonary arterial hypertension.
Eur.J.Med.Chem., 290, 2025
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9LUG
 | | Crystal structure of SARS-Cov-2 main protease E166V mutant in complex with Bofutrelvir | | Descriptor: | ORF1a polyprotein, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Zhou, X.L, Li, J. | | Deposit date: | 2025-02-08 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Inhibitory efficacy and structural insights of Bofutrelvir against SARS-CoV-2 M pro mutants and MERS-CoV M pro.
Commun Biol, 8, 2025
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9LUF
 | | Crystal structure of SARS-Cov-2 main protease S144A mutant in complex with Bofutrelvir | | Descriptor: | ORF1a polyprotein, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Zhou, X.L, Li, J. | | Deposit date: | 2025-02-08 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Inhibitory efficacy and structural insights of Bofutrelvir against SARS-CoV-2 M pro mutants and MERS-CoV M pro.
Commun Biol, 8, 2025
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8HLE
 | | Structure of DddY-DMSOP complex | | Descriptor: | 3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid, DMSP lyase DddY, ZINC ION | | Authors: | Peng, M, Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2022-11-30 | | Release date: | 2023-10-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | DMSOP-cleaving enzymes are diverse and widely distributed in marine microorganisms.
Nat Microbiol, 8, 2023
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8HLF
 | | Crystal structure of DddK-DMSOP complex | | Descriptor: | 3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid, MANGANESE (II) ION, Novel protein with potential Cupin domain | | Authors: | Peng, M, Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2022-11-30 | | Release date: | 2023-10-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | DMSOP-cleaving enzymes are diverse and widely distributed in marine microorganisms.
Nat Microbiol, 8, 2023
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6XEY
 | | Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-4 | | Descriptor: | 2-4 Heavy Chain, 2-4 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rapp, M, Shapiro, L, Ho, D.D. | | Deposit date: | 2020-06-14 | | Release date: | 2020-07-22 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Potent neutralizing antibodies against multiple epitopes on SARS-CoV-2 spike.
Nature, 584, 2020
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8HOG
 | | Crystal structure of Bcl-2 in complex with sonrotoclax | | Descriptor: | Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | | Deposit date: | 2022-12-10 | | Release date: | 2024-01-17 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
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8HOH
 | | Crystal structure of Bcl-2 G101V in complex with sonrotoclax | | Descriptor: | Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | | Deposit date: | 2022-12-10 | | Release date: | 2024-01-17 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
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8HOI
 | | Crystal structure of Bcl-2 D103Y in complex with sonrotoclax | | Descriptor: | Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | | Deposit date: | 2022-12-10 | | Release date: | 2024-01-17 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
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5HU9
 | | Crystal structure of ABL1 in complex with CHMFL-074 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide, CHLORIDE ION, ... | | Authors: | Kong, L.L, Yun, C.H. | | Deposit date: | 2016-01-27 | | Release date: | 2016-07-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.529 Å) | | Cite: | Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML)
Oncotarget, 7, 2016
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