8OHW
 
 | | Crystal structure of heparanase from Burkholderia pseudomallei in complex with siastatin B derived inhibitor | | Descriptor: | (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, Glycoside hydrolase family 44 domain-containing protein | | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2023-03-21 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
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8OHT
 | | Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with competitive inhibitor derrived from siastatin B | | Descriptor: | (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, SULFATE ION, beta-glucuronidase from Acidobacterium capsulatum | | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2023-03-21 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
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8OHU
 | | Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with glucuronic acid configured isofagamine | | Descriptor: | (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, beta-glucuronidase from Acidobacterium capsulatum | | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2023-03-21 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
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6TXR
 | | Structural insights into cubane-modified aptamer recognition of a malaria biomarker | | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ... | | Authors: | Cheung, Y, Roethlisberger, P, Mechaly, A, Weber, P, Wong, A, Lo, Y, Haouz, A, Savage, P, Hollenstein, M, Tanner, J. | | Deposit date: | 2020-01-14 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Evolution of abiotic cubane chemistries in a nucleic acid aptamer allows selective recognition of a malaria biomarker.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7DCN
 | | Apo-citrate lyase phosphoribosyl-dephospho-CoA transferase | | Descriptor: | Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, SULFATE ION, ZINC ION | | Authors: | Xu, H, Wang, B, Su, X.D. | | Deposit date: | 2020-10-26 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.695 Å) | | Cite: | Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
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7DCM
 | | Crystal structure of CITX | | Descriptor: | Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, ZINC ION | | Authors: | Xu, H, Wang, B, Su, X.D. | | Deposit date: | 2020-10-26 | | Release date: | 2021-11-03 | | Last modified: | 2023-05-17 | | Method: | X-RAY DIFFRACTION (2.495 Å) | | Cite: | Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
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7V61
 | | ACE2 -Targeting Monoclonal Antibody as Potent and Broad-Spectrum Coronavirus Blocker | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3E8, ... | | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q. | | Deposit date: | 2021-08-18 | | Release date: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | ACE2-targeting monoclonal antibody as potent and broad-spectrum coronavirus blocker.
Signal Transduct Target Ther, 6, 2021
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6IZH
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4P5U
 | | Crystal structure of TatD | | Descriptor: | Tat-linked quality control protein TatD | | Authors: | Chen, Y, Li, C.-L, Hsiao, Y.-Y, Duh, Y, Yuan, H.S. | | Deposit date: | 2014-03-20 | | Release date: | 2014-08-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and function of TatD exonuclease in DNA repair.
Nucleic Acids Res., 42, 2014
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4PE8
 | | Crystal structure of TatD in complex with trinucleotide DNA | | Descriptor: | DNA (5'-D(*GP*CP*T)-3'), Tat-linked quality control protein TatD | | Authors: | Chen, Y, Li, C.-L, Hsiao, Y.-Y, Duh, Y, Yuan, H.S. | | Deposit date: | 2014-04-23 | | Release date: | 2014-08-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.894 Å) | | Cite: | Structure and function of TatD exonuclease in DNA repair.
Nucleic Acids Res., 42, 2014
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6IMK
 | | The crystal structure of AsfvLIG:CG complex | | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ... | | Authors: | Chen, Y.Q, Gan, J.H. | | Deposit date: | 2018-10-23 | | Release date: | 2019-02-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
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6IMN
 | | The crystal structure of AsfvLIG:CT2 complex | | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ... | | Authors: | Chen, Y.Q, Gan, J.H. | | Deposit date: | 2018-10-23 | | Release date: | 2019-02-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
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6IML
 | | The crystal structure of AsfvLIG:CT1 complex | | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*T)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ... | | Authors: | Chen, Y.Q, Gan, J.H. | | Deposit date: | 2018-10-23 | | Release date: | 2019-02-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
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6IMJ
 | | The crystal structure of Se-AsfvLIG:DNA complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Chen, Y.Q, Gan, J.H. | | Deposit date: | 2018-10-23 | | Release date: | 2019-02-27 | | Method: | X-RAY DIFFRACTION (2.554 Å) | | Cite: | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
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4XGY
 | | GFP based antibody (fluorobody) | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Green fluorescent protein, mAb LCDR3 | | Authors: | Shi, N, Chen, Y.G, Wang, S.H. | | Deposit date: | 2015-01-03 | | Release date: | 2015-07-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.494 Å) | | Cite: | The structure of a GFP-based antibody (fluorobody) to TLH, a toxin from Vibrio parahaemolyticus.
Acta Crystallogr.,Sect.F, 71, 2015
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6GJ3
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6GIY
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5K8Q
 | | Crystal Structure of Calcium-loaded Calmodulin in complex with STRA6 CaMBP2-site peptide. | | Descriptor: | CALCIUM ION, Calmodulin, IMIDAZOLE, ... | | Authors: | Stowe, S.D, Clarke, O.B, Cavalier, M.C, Godoy-Ruiz, R, Mancia, F, Weber, D.J. | | Deposit date: | 2016-05-30 | | Release date: | 2016-08-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.739 Å) | | Cite: | Structure of the STRA6 receptor for retinol uptake.
Science, 353, 2016
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2PKG
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8TUC
 | | Unphosphorylated CaMKK2 in complex with CC-8977 | | Descriptor: | (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid, 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | Authors: | Bernard, S.M, Shanmugasundaram, V, D'Agostino, L. | | Deposit date: | 2023-08-16 | | Release date: | 2023-12-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Identification of Small Molecule Inhibitors and Ligand Directed Degraders of Calcium/Calmodulin Dependent Protein Kinase Kinase 1 and 2 (CaMKK1/2).
J.Med.Chem., 66, 2023
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5HHI
 | | Structure of human DNA polymerase beta Host-Guest complexed with CBZ-platinated N7-G | | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*AP*GP*GP*AP*GP*CP*AP*GP*G)-3'), DNA (5'-D(P*CP*CP*TP*GP*CP*TP*CP*CP*TP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | Authors: | Lee, S, Koag, M.-C. | | Deposit date: | 2016-01-11 | | Release date: | 2017-01-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.517 Å) | | Cite: | Synthesis, structure, and biological evaluation of a platinum-carbazole conjugate.
Chem Biol Drug Des, 91, 2018
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5HHH
 | | Structure of human DNA polymerase beta Host-Guest complexed with the control G for N7-CBZ-platination | | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*AP*GP*GP*AP*GP*CP*AP*GP*G)-3'), DNA (5'-D(P*CP*CP*TP*GP*CP*TP*CP*CP*TP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | Authors: | Koag, M.-C, Lee, S. | | Deposit date: | 2016-01-11 | | Release date: | 2017-01-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.363 Å) | | Cite: | Synthesis, structure, and biological evaluation of a platinum-carbazole conjugate.
Chem Biol Drug Des, 91, 2018
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6GJ1
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2VT0
 | | X-ray structure of a conjugate with conduritol-beta-epoxide of acid-beta-glucosidase overexpressed in cultured plant cells | | Descriptor: | (1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL, GLUCOSYLCERAMIDASE, SULFATE ION, ... | | Authors: | Brumshtein, B, Greenblatt, H.M, Shaaltiel, Y, Aviezer, D, Silman, I, Futerman, A.H, Sussman, J.L. | | Deposit date: | 2008-05-03 | | Release date: | 2008-09-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Acid Beta-Glucosidase: Insights from Structural Analysis and Relevance to Gaucher Disease Therapy.
Biol.Chem., 389, 2008
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7KHF
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