9BUL
 
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8X19
 | | Structure of nucleosome-bound SRCAP-C in the ADP-BeFx-bound state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Yu, J, Wang, Q, Yu, Z, Li, W, Wang, L, Xu, Y. | | Deposit date: | 2023-11-06 | | Release date: | 2024-03-06 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into histone exchange by human SRCAP complex.
Cell Discov, 10, 2024
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8WWU
 | | 1-naphthylamine GS in complex with AMP PNP | | Descriptor: | Glutamine synthetase, MAGNESIUM ION, MANGANESE (II) ION, ... | | Authors: | Zhang, S.T, Zhou, N.Y. | | Deposit date: | 2023-10-26 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of the 1-naphthylamine biodegradation pathway reveals a glutamine synthetase-like protein that catalyzes 1-naphthylamine glutamylation
To Be Published
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8UAR
 | | Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 4b | | Descriptor: | 1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ... | | Authors: | Wilson, L.A, Schenk, G, Guddat, L.W, Scott, C. | | Deposit date: | 2023-09-22 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Catalysts, 14, 2024
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8UUY
 | | SARS-CoV-2 papain-like protease (PLpro) complex with inhibitor Jun12129 | | Descriptor: | ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8XQU
 | | The Crystal Structure of ClpC1-NTD from Biortus. | | Descriptor: | 1,2-ETHANEDIOL, ATP-dependent Clp protease ATP-binding subunit ClpC1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wang, F, Cheng, W, Lv, Z, Ju, C, Ni, C. | | Deposit date: | 2024-01-05 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Crystal Structure of ClpC1-NTD from Biortus.
To Be Published
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9C5S
 | | Disulfide-linked, antiparallel p53-derived peptide dimer (CV1) | | Descriptor: | Cellular tumor antigen p53, SULFATE ION | | Authors: | Vithanage, N, Kreitler, D.K, DiGiorno, M.C, Victorio, C.G, Sawyer, N, Outlaw, V.K. | | Deposit date: | 2024-06-06 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Structural Characterization of Disulfide-Linked, p53-Derived Peptide Dimers
To Be Published
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8V4J
 | | Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148233 | | Descriptor: | 1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol, CHLORIDE ION, Phosphoheptose isomerase, ... | | Authors: | Junop, M.S, Brown, C, Szabla, R. | | Deposit date: | 2023-11-29 | | Release date: | 2023-12-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria.
J.Med.Chem., 67, 2024
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8VU4
 | | Structure of FabS1CE4-EPR-1, an elbow-locked high affinity antibody for the erythropoeitin receptor | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Singer, A.U, Bruce, H.A, Pavlenco, A, Ploder, L, Luu, G, Blazer, L, Adams, J.J, Sidhu, S.S. | | Deposit date: | 2024-01-28 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones.
Protein Sci., 33, 2024
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8VW0
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8UFN
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8VSG
 | | SARS-CoV-2 main protease with covalent inhibitor | | Descriptor: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-(1-phenylcyclopropane-1-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Bell, J.A, Bandera, A.M. | | Deposit date: | 2024-01-24 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.071 Å) | | Cite: | Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity.
Bioorg.Med.Chem., 103, 2024
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8Y9W
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8UR4
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8UUU
 | | SARS-Cov-2 papain-like protease (PLpro) with inhibitor Jun12162 | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8V4A
 | | Proteus vulgaris tryptophan indole-lyase complexed with L-ethionine | | Descriptor: | (2E)-4-(ethylsulfanyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}butanoic acid, (E)-S-ethyl-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-homocysteine, DIMETHYL SULFOXIDE, ... | | Authors: | Phillips, R.S. | | Deposit date: | 2023-11-28 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Proteus vulgaris tryptophan indole-lyase complexed with L-ethionine
To Be Published
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8UO7
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8VF3
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8XIF
 | | The crystal structure of the AEP domain of VACV D5 | | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117 | | Authors: | Gan, J, Zhang, W. | | Deposit date: | 2023-12-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
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8WCT
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8VUC
 | | Structure of FabS1CE2-EPR-1, an elbow-locked high affinity antibody for the erythropoeitin receptor | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, S1CE2 VARIANT OF FAB-EPR-1 heavy chain, ... | | Authors: | Singer, A.U, Bruce, H.A, Pavlenco, A, Ploder, L, Luu, G, Blazer, L, Adams, J.J, Sidhu, S.S. | | Deposit date: | 2024-01-29 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones.
Protein Sci., 33, 2024
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8WY3
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 21 | | Descriptor: | Bromodomain-containing protein 4, ~{N}-cyclopropyl-2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]ethanamide | | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | | Deposit date: | 2023-10-30 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
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9C89
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8V5G
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8VEW
 | | Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 24 | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide, CHLORIDE ION, ... | | Authors: | Whittington, D.A. | | Deposit date: | 2023-12-20 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
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