6C0L
| Crystal structure of HIV-1 E138K mutant reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | Deposit date: | 2018-01-01 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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7YQK
| cryo-EM structure of gammaH2AXK15ub-H4K20me2 nucleosome bound to 53BP1 | Descriptor: | DNA (145-MER), Histone H2AX, Histone H2B, ... | Authors: | Ai, H.S, GuoChao, C, Qingyue, G, Ze-Bin, T, Zhiheng, D, Xin, L, Fan, Y, Ziyu, X, Jia-Bin, L, Changlin, T, Liu, L. | Deposit date: | 2022-08-07 | Release date: | 2022-08-17 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Chemical Synthesis of Post-Translationally Modified H2AX Reveals Redundancy in Interplay between Histone Phosphorylation, Ubiquitination, and Methylation on the Binding of 53BP1 with Nucleosomes. J.Am.Chem.Soc., 144, 2022
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1C40
| BAR-HEADED GOOSE HEMOGLOBIN (AQUOMET FORM) | Descriptor: | PROTEIN (HEMOGLOBIN (ALPHA CHAIN)), PROTEIN (HEMOGLOBIN (BETA CHAIN)), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Li, S, Liu, X, Jing, H, Hua, Z, Zhang, R, Lu, G. | Deposit date: | 1999-08-03 | Release date: | 1999-08-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Avian haemoglobins and structural basis of high affinity for oxygen: structure of bar-headed goose aquomet haemoglobin. Acta Crystallogr.,Sect.D, 57, 2001
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5E2V
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6LAT
| The cryo-EM structure of HEV VLP | Descriptor: | Protein ORF2 | Authors: | Zheng, Q, He, M, Li, S. | Deposit date: | 2019-11-13 | Release date: | 2019-12-04 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Viral neutralization by antibody-imposed physical disruption. Proc.Natl.Acad.Sci.USA, 2019
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4Q2M
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4Q2L
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4PZX
| Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors | Descriptor: | (4R,4a'R,10a'R)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | Authors: | Vigers, G.P.A. | Deposit date: | 2014-03-31 | Release date: | 2014-05-14 | Last modified: | 2014-10-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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6LB0
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4PZW
| Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors | Descriptor: | (4R,4a'S,10a'S)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | Authors: | Vigers, G.P.A. | Deposit date: | 2014-03-31 | Release date: | 2014-05-14 | Last modified: | 2014-10-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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7TZO
| The apo structure of human mTORC2 complex | Descriptor: | Rapamycin-insensitive companion of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex 2 subunit MAPKAP1, ... | Authors: | Yu, Z, Chen, J, Pearce, D. | Deposit date: | 2022-02-16 | Release date: | 2023-01-11 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Interactions between mTORC2 core subunits Rictor and mSin1 dictate selective and context-dependent phosphorylation of substrate kinases SGK1 and Akt. J.Biol.Chem., 298, 2022
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8U48
| Crystal structure of Bacteroides thetaiotamicron BT1285 D161A-E163A inactive Endoglycosidase in complex with high-mannose N-glycan (Man9GlcNAc2) substrate | Descriptor: | Endo-beta-N-acetylglucosaminidase, PHOSPHATE ION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Sastre, D.E, Sultana, N, Navarro, M.V.A.S, Sundberg, E.J. | Deposit date: | 2023-09-09 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate. Nat Commun, 15, 2024
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8U46
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8U9F
| Crystal structure of Bacteroides thetaiotamicron BT1285 in complex with NaI | Descriptor: | 1,2-ETHANEDIOL, Endo-beta-N-acetylglucosaminidase, IODIDE ION, ... | Authors: | Sastre, D.E, Navarro, M.V.A.S, Sundberg, E.J. | Deposit date: | 2023-09-19 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate. Nat Commun, 15, 2024
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8U47
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6LLX
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8JUE
| Crystal structure of glutaminase C in complex with compound 11 | Descriptor: | 2-(3-phenoxyphenyl)-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial | Authors: | Wang, X, Hanyu, S, Tingting, D. | Deposit date: | 2023-06-26 | Release date: | 2023-10-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Targeting the Subpocket Enables the Discovery of Thiadiazole-Pyridazine Derivatives as Glutaminase C Inhibitors. Acs Med.Chem.Lett., 14, 2023
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8JUB
| Crystal structure of glutaminase C in complex with compound 27 | Descriptor: | 3-[2-oxidanylidene-2-[[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]amino]ethyl]benzoic acid, Glutaminase kidney isoform, mitochondrial | Authors: | Wang, X, Hanyu, S, Tingting, D. | Deposit date: | 2023-06-26 | Release date: | 2023-10-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Targeting the Subpocket Enables the Discovery of Thiadiazole-Pyridazine Derivatives as Glutaminase C Inhibitors. Acs Med.Chem.Lett., 14, 2023
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6LLC
| Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma | Descriptor: | 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, ... | Authors: | Ye, K, Li, H. | Deposit date: | 2019-12-23 | Release date: | 2020-11-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Discovery of a dual inhibitor of NQO1 and GSTP1 for treating glioblastoma. J Hematol Oncol, 13, 2020
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4QMF
| Structure of the Krr1 and Faf1 complex from Saccharomyces cerevisiae | Descriptor: | KRR1 small subunit processome component, Protein FAF1 | Authors: | Zheng, S, Ye, K. | Deposit date: | 2014-06-16 | Release date: | 2014-07-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | Interaction between ribosome assembly factors Krr1 and Faf1 is essential for formation of small ribosomal subunit in yeast J.Biol.Chem., 289, 2014
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7U9J
| Crystal structure of Mesothelin-207 fragment | Descriptor: | GLYCEROL, Isoform 3 of Mesothelin, SULFATE ION | Authors: | Zhan, J, Esser, L, Lin, D, Tang, W.K, Xia, D. | Deposit date: | 2022-03-10 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structures of Cancer Antigen Mesothelin and Its Complexes with Therapeutic Antibodies. Cancer Res Commun, 3, 2023
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7UED
| Crystal structure of full length mesothelin bound with MORAb-009 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Isoform 4 of Mesothelin, ... | Authors: | Zhan, J, Esser, L, Lin, D, Tang, W.K, Xia, D. | Deposit date: | 2022-03-21 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of Cancer Antigen Mesothelin and Its Complexes with Therapeutic Antibodies. Cancer Res Commun, 3, 2023
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4RZC
| Fv M6P-1 in complex with mannose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-mannopyranose, Fv M6P-1 heavy chain, Fv M6P-1 light chain, ... | Authors: | Blackler, R.J, Evans, D.W, Evans, S.V, Muller-Loennies, S. | Deposit date: | 2014-12-19 | Release date: | 2015-11-04 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.723 Å) | Cite: | Single-chain antibody-fragment M6P-1 possesses a mannose 6-phosphate monosaccharide-specific binding pocket that distinguishes N-glycan phosphorylation in a branch-specific manner. Glycobiology, 26, 2016
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7CY2
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7CZ2
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