6N7D
 
 | | Structure of the human JAK1 kinase domain with compound 54 | | Descriptor: | GLYCEROL, N-[5-(6-methoxy-1H-indazol-5-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Lupardus, P.J, Brown, D. | | Deposit date: | 2018-11-27 | | Release date: | 2019-04-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
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5FJB
 | | Cyclophilin A Stabilize HIV-1 Capsid through a Novel Non- canonical Binding Site | | Descriptor: | GAG POLYPROTEIN, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | | Authors: | Liu, C, Perilla, J.R, Ning, J, Lu, M, Hou, G, Ramalhu, R, Bedwell, G.J, Ahn, J, Shi, J, Gronenborn, A.M, Prevelige Jr, P.E, Rousso, I, Aiken, C, Polenova, T, Schulten, K, Zhang, P. | | Deposit date: | 2015-10-07 | | Release date: | 2016-03-16 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (9 Å) | | Cite: | Cyclophilin a Stabilizes the HIV-1 Capsid Through a Novel Non-Canonical Binding Site.
Nat.Commun., 7, 2016
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5YSW
 | | Crystal Structure Analysis of Rif16 in complex with R-L | | Descriptor: | (2S,12E,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y. | | Deposit date: | 2017-11-15 | | Release date: | 2018-07-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Deciphering the late steps of rifamycin biosynthesis.
Nat Commun, 9, 2018
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5YSM
 | | Crystal Structure Analysis of Rif16 | | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y. | | Deposit date: | 2017-11-14 | | Release date: | 2018-07-04 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Deciphering the late steps of rifamycin biosynthesis.
Nat Commun, 9, 2018
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2NDI
 | | Solution structure of the toxin ISTX-I from Ixodes scapularis | | Descriptor: | Putative secreted salivary protein | | Authors: | Hu, K. | | Deposit date: | 2016-06-01 | | Release date: | 2017-06-07 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | A sodium channel inhibitor ISTX-I with a novel structure provides a new hint at the evolutionary link between two toxin folds.
Sci Rep, 6, 2016
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6AY2
 | | Structure of CathB with covalently linked Compound 28 | | Descriptor: | Cathepsin B, N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide | | Authors: | Kiefer, J.R, Steinbacher, S. | | Deposit date: | 2017-09-07 | | Release date: | 2017-12-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Peptidomimetic Antibody-Drug Conjugate Linkers with Enhanced Protease Specificity.
J. Med. Chem., 61, 2018
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6C26
 | | The Cryo-EM structure of a eukaryotic oligosaccharyl transferase complex | | Descriptor: | (4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1, ... | | Authors: | Bai, L, Li, H. | | Deposit date: | 2018-01-06 | | Release date: | 2018-01-31 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The atomic structure of a eukaryotic oligosaccharyltransferase complex.
Nature, 555, 2018
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3B9L
 | | Human serum albumin complexed with myristate and AZT | | Descriptor: | 3'-azido-3'-deoxythymidine, MYRISTIC ACID, Serum albumin | | Authors: | Zhu, L, Yang, F, Chen, L, Meehan, E.J, Huang, M. | | Deposit date: | 2007-11-05 | | Release date: | 2008-05-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A new drug binding subsite on human serum albumin and drug-drug interaction studied by X-ray crystallography
J.Struct.Biol., 162, 2008
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3B9M
 | | Human serum albumin complexed with myristate, 3'-azido-3'-deoxythymidine (AZT) and salicylic acid | | Descriptor: | 2-HYDROXYBENZOIC ACID, 3'-azido-3'-deoxythymidine, MYRISTIC ACID, ... | | Authors: | Zhu, L, Yang, F, Chen, L, Meehan, E.J, Huang, M. | | Deposit date: | 2007-11-05 | | Release date: | 2008-05-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A new drug binding subsite on human serum albumin and drug-drug interaction studied by X-ray crystallography
J.Struct.Biol., 162, 2008
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6DJV
 | | Mtb ClpB in complex with ATPgammaS and casein, Conformer 2 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Yu, H.J, Li, H.L. | | Deposit date: | 2018-05-26 | | Release date: | 2018-09-26 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | ATP hydrolysis-coupled peptide translocation mechanism ofMycobacterium tuberculosisClpB.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DJU
 | | Mtb ClpB in complex with ATPgammaS and casein, Conformer 1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Yu, H.J, Li, H.L. | | Deposit date: | 2018-05-26 | | Release date: | 2018-09-26 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | ATP hydrolysis-coupled peptide translocation mechanism ofMycobacterium tuberculosisClpB.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6ED3
 | | Mtb ClpB in complex with AMPPNP | | Descriptor: | Chaperone protein ClpB | | Authors: | Yu, H.J, Li, H.L. | | Deposit date: | 2018-08-08 | | Release date: | 2018-09-26 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (6.3 Å) | | Cite: | ATP hydrolysis-coupled peptide translocation mechanism ofMycobacterium tuberculosisClpB.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6CFW
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8H0L
 | | Sulfur binding domain of Hga complexed with phosphorothioated DNA | | Descriptor: | DNA (5'-D(*CP*GP*AP*GP*(PST)P*TP*CP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*GP*AP*AP*CP*TP*CP*G)-3'), MAGNESIUM ION, ... | | Authors: | Liu, G, He, X, Hu, W, Yang, B, Xiao, Q. | | Deposit date: | 2022-09-29 | | Release date: | 2023-09-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Characterization of a promiscuous DNA sulfur binding domain and application in site-directed RNA base editing.
Nucleic Acids Res., 51, 2023
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7WNU
 | | Mycobacterium tuberculosis Rnase J complex with 7nt RNA | | Descriptor: | RNA (5'-R(P*AP*AP*AP*AP*AP*AP*A)-3'), Ribonuclease J, ZINC ION | | Authors: | Li, J, Hu, J, Bao, L, Zhan, B, Li, Z. | | Deposit date: | 2022-01-19 | | Release date: | 2023-01-25 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural insights into RNase J that plays an essential role in Mycobacterium tuberculosis RNA metabolism
Nat Commun, 14, 2023
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7WNT
 | | RNase J from Mycobacterium tuberculosis | | Descriptor: | Ribonuclease J, ZINC ION | | Authors: | Li, J, Bao, L, Hu, J, Zhan, B, Li, Z. | | Deposit date: | 2022-01-19 | | Release date: | 2023-01-25 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Structural insights into RNase J that plays an essential role in Mycobacterium tuberculosis RNA metabolism
Nat Commun, 14, 2023
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8WQV
 | | Fe-O nanocluster of form-VIII in the 4-fold channel of Ureaplasma diversum ferritin | | Descriptor: | FE (III) ION, Ferritin | | Authors: | Wang, W.M, Ma, D.Y, Gong, W.J, Wu, L.J, Wang, H.F. | | Deposit date: | 2023-10-12 | | Release date: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Growth Process of Fe-O Nanoclusters with Different Sizes Biosynthesized by Protein Nanocages.
J.Am.Chem.Soc., 146, 2024
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8WPT
 | | Truncated mutant (1-171) of ferritin from Ureaplasma diversum | | Descriptor: | CHLORIDE ION, FE (III) ION, Truncated ferritin | | Authors: | Wang, W.M, Xi, H.F, Gong, W.J, Ma, D.Y, Wang, H.F. | | Deposit date: | 2023-10-10 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Growth Process of Fe-O Nanoclusters with Different Sizes Biosynthesized by Protein Nanocages.
J.Am.Chem.Soc., 146, 2024
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8WR0
 | | Fe-O nanocluster of form-XII in the 4-fold channel of Ureaplasma diversum ferritin | | Descriptor: | FE (III) ION, ferritin | | Authors: | Wang, W.M, Ma, D.Y, Gong, W.J, Wu, L.J, Wang, H.F. | | Deposit date: | 2023-10-12 | | Release date: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Growth Process of Fe-O Nanoclusters with Different Sizes Biosynthesized by Protein Nanocages.
J.Am.Chem.Soc., 146, 2024
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8WQY
 | | Fe-O nanocluster of form-XI in the 4-fold channel of Ureaplasma diversum ferritin | | Descriptor: | FE (III) ION, ferritin | | Authors: | Wang, W.M, Ma, D.Y, Gong, W.J, Wu, L.J, Wang, H.F. | | Deposit date: | 2023-10-12 | | Release date: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Growth Process of Fe-O Nanoclusters with Different Sizes Biosynthesized by Protein Nanocages.
J.Am.Chem.Soc., 146, 2024
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8WPV
 | | Truncated mutant (1-171) of ferritin from Ureaplasma diversum soaked in Fe2+ solution for 30min | | Descriptor: | CHLORIDE ION, FE (III) ION, MAGNESIUM ION, ... | | Authors: | Wang, W.M, Xi, H.F, Gong, W.J, Ma, D.Y, Wang, H.F. | | Deposit date: | 2023-10-10 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.059 Å) | | Cite: | Growth Process of Fe-O Nanoclusters with Different Sizes Biosynthesized by Protein Nanocages.
J.Am.Chem.Soc., 146, 2024
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8WQU
 | | Fe-O nanocluster of form-IX in the 4-fold channel of Ureaplasma diversum ferritin | | Descriptor: | FE (III) ION, ferritin | | Authors: | Wang, W.M, Ma, D.Y, Gong, W.J, Wu, L.J, Wang, H.F. | | Deposit date: | 2023-10-12 | | Release date: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Growth Process of Fe-O Nanoclusters with Different Sizes Biosynthesized by Protein Nanocages.
J.Am.Chem.Soc., 146, 2024
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8WQX
 | | Fe-O nanocluster of form-X in the 4-fold channel of Ureaplasma diversum ferritin | | Descriptor: | FE (III) ION, ferritin | | Authors: | Wang, W.M, Ma, D.Y, Gong, W.J, Wu, L.J, Wang, H.F. | | Deposit date: | 2023-10-12 | | Release date: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Growth Process of Fe-O Nanoclusters with Different Sizes Biosynthesized by Protein Nanocages.
J.Am.Chem.Soc., 146, 2024
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2KOD
 | | A high-resolution NMR structure of the dimeric C-terminal domain of HIV-1 CA | | Descriptor: | HIV-1 CA C-terminal domain | | Authors: | Byeon, I.-J.L, Jung, J, Ahn, J, concel, J, Gronenborn, A.M. | | Deposit date: | 2009-09-18 | | Release date: | 2009-11-24 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural convergence between Cryo-EM and NMR reveals intersubunit interactions critical for HIV-1 capsid function.
Cell(Cambridge,Mass.), 139, 2009
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8USR
 | | IL17A homodimer complexed to Compound 23 | | Descriptor: | Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide | | Authors: | Argiriadi, M.A, Ramos, A.L. | | Deposit date: | 2023-10-29 | | Release date: | 2024-04-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
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