7LHB
 
 | | Crystal structure of Bcl-2 in complex with prodrug ABBV-167 | | Descriptor: | Apoptosis regulator Bcl-2, Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester | | Authors: | Judge, R.A, Salem, A.H. | | Deposit date: | 2021-01-21 | | Release date: | 2021-04-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.068 Å) | | Cite: | Expanding the Repertoire for "Large Small Molecules": Prodrug ABBV-167 Efficiently Converts to Venetoclax with Reduced Food Effect in Healthy Volunteers.
Mol.Cancer Ther., 20, 2021
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5WMM
 | | Crystal structure of an adenylation domain interrupted by a methylation domain (AMA4) from nonribosomal peptide synthetase TioS | | Descriptor: | (2S)-2-amino-3-methylbutanoyl (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl hydrogen (S)-phosphate, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Pang, A.H, Mori, S, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2017-07-30 | | Release date: | 2018-03-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for backbone N-methylation by an interrupted adenylation domain.
Nat. Chem. Biol., 14, 2018
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6JU0
 | | Mouse antibody 3.3 Fab in complex with PEG | | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Fab heavy chain, ... | | Authors: | Lee, C.C, Ko, T.P, Lin, L.L, Wang, A.H.J. | | Deposit date: | 2019-04-12 | | Release date: | 2020-02-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Structural basis of polyethylene glycol recognition by antibody.
J.Biomed.Sci., 27, 2020
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6JXG
 | | Crystasl Structure of Beta-glucosidase D2-BGL from Chaetomella Raphigera | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-glucosidase, alpha-D-mannopyranose | | Authors: | Wang, A.H.-J, Lee, C.C, Kao, M.R, Ho, T.H.D. | | Deposit date: | 2019-04-23 | | Release date: | 2019-11-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Chaetomella raphigerabeta-glucosidase D2-BGL has intriguing structural features and a high substrate affinity that renders it an efficient cellulase supplement for lignocellulosic biomass hydrolysis.
Biotechnol Biofuels, 12, 2019
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8I4F
 | | Omicron spike variant XBB with n3130v-Fc | | Descriptor: | Spike glycoprotein, n3130v-Fc | | Authors: | Hao, A.H, Zhang, X, Chen, Z.G, Sun, L. | | Deposit date: | 2023-01-19 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Defining a highly conserved cryptic epitope for antibody recognition of SARS-CoV-2 variants.
Signal Transduct Target Ther, 8, 2023
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8I4G
 | | Omicron spike variant BQ.1.1 with n3130v-Fc | | Descriptor: | Spike glycoprotein, n3130v-Fc | | Authors: | Hao, A.H, Zhang, X, Chen, Z.G, Sun, L. | | Deposit date: | 2023-01-19 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | Defining a highly conserved cryptic epitope for antibody recognition of SARS-CoV-2 variants.
Signal Transduct Target Ther, 8, 2023
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8I4E
 | | Omicron spike variant XBB with Bn03 | | Descriptor: | Bn03, Spike glycoprotein | | Authors: | Hao, A.H, Zhang, X, Chen, Z.G, Sun, L. | | Deposit date: | 2023-01-19 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.98 Å) | | Cite: | Defining a highly conserved cryptic epitope for antibody recognition of SARS-CoV-2 variants.
Signal Transduct Target Ther, 8, 2023
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5WHF
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5ITM
 | | The structure of truncated histone-like protein | | Descriptor: | AbrB family transcriptional regulator | | Authors: | Lin, B.L, Chen, C.Y, Huang, C.H, Ko, T.P, Chiang, C.H, Lin, K.F, Chang, Y.C, Lin, P.Y, Tsai, H.H.G, Wang, A.H.J. | | Deposit date: | 2016-03-17 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Arginine Pairs and C-Termini of the Sso7c4 from Sulfolobus solfataricus Participate in Binding and Bending DNA.
PLoS ONE, 12, 2017
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5W96
 | | Solution structure of phage derived peptide inhibitor of frizzled 7 receptor | | Descriptor: | Fz7 binding peptide | | Authors: | Nile, A.H, de Sousa e Melo, F, Mukund, S, Piskol, R, Hansen, S, Zhou, L, Zhang, Y, Fu, Y, Gogol, E.B, Komuves, L.G, Modrusan, Z, Angers, S, Franke, Y, Koth, C, Fairbrother, W.J, Wang, W, de Sauvage, F.J, Hannoush, R.N. | | Deposit date: | 2017-06-22 | | Release date: | 2018-04-18 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells.
Nat. Chem. Biol., 14, 2018
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8I4H
 | | Omicron spike variant BA.1 with Bn03 | | Descriptor: | Bn03, Spike glycoprotein | | Authors: | Hao, A.H, Zhang, X, Chen, Z.G, Sun, L. | | Deposit date: | 2023-01-19 | | Release date: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.81 Å) | | Cite: | Defining a highly conserved cryptic epitope for antibody recognition of SARS-CoV-2 variants.
Signal Transduct Target Ther, 8, 2023
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2VOK
 | | Murine TRIM21 | | Descriptor: | 52 KDA RO PROTEIN | | Authors: | Keeble, A.H, Khan, Z, Forster, A, James, L.C. | | Deposit date: | 2008-02-19 | | Release date: | 2008-04-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Trim21 is an Igg Receptor that is Structurally, Thermodynamically, and Kinetically Conserved.
Proc.Natl.Acad.Sci.USA, 105, 2008
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2WNQ
 | | Structure of the E192N mutant of E. coli N-acetylneuraminic acid lyase in space group P21 | | Descriptor: | CHLORIDE ION, N-ACETYLNEURAMINATE LYASE | | Authors: | Campeotto, I, Bolt, A.H, Harman, T.A, Trinh, C.H, Dennis, C.A, Phillips, S.E.V, Pearson, A.R, Nelson, A, Berry, A. | | Deposit date: | 2009-07-17 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insights Into Substrate Specificity in Variants of N-Acetylneuraminic Acid Lyase Produced by Directed Evolution.
J.Mol.Biol., 404, 2010
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2WP6
 | | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00071494) | | Descriptor: | (4S)-3-BENZYL-6-CHLORO-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Alphey, M.S, Patterson, S, Fairlamb, A.H. | | Deposit date: | 2009-08-03 | | Release date: | 2010-10-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
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5ITJ
 | | The structure of histone-like protein | | Descriptor: | AbrB family transcriptional regulator, SULFATE ION, TETRAETHYLENE GLYCOL | | Authors: | Lin, B.L, Chen, C.Y, Huang, C.H, Ko, T.P, Chiang, C.H, Lin, K.F, Chang, Y.C, Lin, P.Y, Tsai, H.H.G, Wang, A.H.J. | | Deposit date: | 2016-03-17 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | The Arginine Pairs and C-Termini of the Sso7c4 from Sulfolobus solfataricus Participate in Binding and Bending DNA.
PLoS ONE, 12, 2017
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6OR7
 | | Structure of HIV-1 Reverse Transcriptase (RT) in complex with DNA AND (-)FTC-TP | | Descriptor: | DNA Primer 20-mer, DNA template 27-mer, MAGNESIUM ION, ... | | Authors: | Bertoletti, N, Chan, A.H, Anderson, K.S. | | Deposit date: | 2019-04-29 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
Protein Sci., 28, 2019
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8JA2
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2VPS
 | | Structure Of The Bifunctional Leishmania Major Trypanothione Synthetase-Amidase | | Descriptor: | BROMIDE ION, CHLORIDE ION, TRYPANOTHIONE SYNTHETASE | | Authors: | Fyfe, P.K, Oza, S.L, Fairlamb, A.H, Hunter, W.N. | | Deposit date: | 2008-03-04 | | Release date: | 2008-05-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Leishmania Trypanothione Synthetase-Amidase Structure Reveals a Basis for Regulation of Conflicting Synthetic and Hydrolytic Activities.
J.Biol.Chem., 283, 2008
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8JA1
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5XNR
 | | Truncated AlyQ with CBM32 and alginate lyase domains | | Descriptor: | ACETATE ION, AlyQ, CALCIUM ION, ... | | Authors: | Teh, A.H, Sim, P.F. | | Deposit date: | 2017-05-24 | | Release date: | 2018-06-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Functional and Structural Studies of a Multidomain Alginate Lyase from Persicobacter sp. CCB-QB2.
Sci Rep, 7, 2017
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2WNZ
 | | Structure of the E192N mutant of E. coli N-acetylneuraminic acid lyase in complex with pyruvate in space group P21 crystal form I | | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 2-ETHOXYETHANOL, LACTIC ACID, ... | | Authors: | Campeotto, I, Bolt, A.H, Harman, T.A, Trinh, C.H, Dennis, C.A, Phillips, S.E.V, Pearson, A.R, Nelson, A, Berry, A. | | Deposit date: | 2009-07-21 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Insights Into Substrate Specificity in Variants of N-Acetylneuraminic Acid Lyase Produced by Directed Evolution.
J.Mol.Biol., 404, 2010
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5KDE
 | | Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 1 and inorganic pyrophosphate | | Descriptor: | 2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine, Inorganic pyrophosphatase, PYROPHOSPHATE 2- | | Authors: | Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2016-06-08 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis.
ACS Chem. Biol., 11, 2016
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6OSW
 | | An order-to-disorder structural switch activates the FoxM1 transcription factor | | Descriptor: | Forkhead box M1 | | Authors: | Marceau, A.H, Rubin, S.M, Nerli, S, McShane, A.C, Sgourakis, N.G. | | Deposit date: | 2019-05-02 | | Release date: | 2019-05-29 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | An order-to-disorder structural switch activates the FoxM1 transcription factor.
Elife, 8, 2019
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5KDF
 | | Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 6 and inorganic pyrophosphate | | Descriptor: | CALCIUM ION, Inorganic pyrophosphatase, PYROPHOSPHATE 2-, ... | | Authors: | Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2016-06-08 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis.
ACS Chem. Biol., 11, 2016
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2WSA
 | | Crystal Structure of Leishmania major N-myristoyltransferase (NMT) with bound myristoyl-CoA and a pyrazole sulphonamide ligand (DDD85646) | | Descriptor: | 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | Authors: | Robinson, D.A, Brand, S, Fairlamb, A.H, Ferguson, M.A.J, Frearson, J.A, Wyatt, P.G, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-09-04 | | Release date: | 2010-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | N-Myristoyltransferase Inhibitors as New Leads to Treat Sleeping Sickness.
Nature, 464, 2010
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