8BYQ
 
 | | RNA polymerase II pre-initiation complex with the proximal +1 nucleosome (PIC-Nuc10W) | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Abril-Garrido, J, Dienemann, C, Grabbe, F, Velychko, T, Lidschreiber, M, Wang, H, Cramer, P. | | Deposit date: | 2022-12-14 | | Release date: | 2023-05-03 | | Last modified: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural basis of transcription reduction by a promoter-proximal +1 nucleosome.
Mol.Cell, 83, 2023
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8BYK
 | | The structure of MadC from Clostridium maddingley reveals new insights into class I lanthipeptide cyclases | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Knospe, C.V, Kamel, M, Spitz, O, Hoeppner, A, Galle, S, Reiners, J, Kedrov, A, Smits, S.H, Schmitt, L. | | Deposit date: | 2022-12-13 | | Release date: | 2023-02-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The structure of MadC from Clostridium maddingley reveals new insights into class I lanthipeptide cyclases.
Front Microbiol, 13, 2022
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8BVW
 | | RNA polymerase II pre-initiation complex with the distal +1 nucleosome (PIC-Nuc18W) | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Abril-Garrido, J, Dienemann, C, Grabbe, F, Velychko, T, Lidschreiber, M, Wang, H, Cramer, P. | | Deposit date: | 2022-12-20 | | Release date: | 2023-05-03 | | Last modified: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural basis of transcription reduction by a promoter-proximal +1 nucleosome.
Mol.Cell, 83, 2023
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8BV3
 | | Bacillus subtilis DnaA domain III structure | | Descriptor: | Chromosomal replication initiator protein DnaA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Pintar, S, Hubbard, J.A. | | Deposit date: | 2022-12-01 | | Release date: | 2023-12-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | The bacterial replication origin BUS promotes nucleobase capture.
Nat Commun, 14, 2023
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8BU0
 | | Crystal structure of an 8 repeat consensus TPR superhelix with calcium | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Liutkus, M, Rojas, A.L, Cortajarena, A.L. | | Deposit date: | 2022-11-30 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
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8BTM
 | | Structural and functional studies of geldanamycin amide synthase ShGdmF | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, GdmF | | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | | Deposit date: | 2022-11-29 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and functional studies of geldanamycin amide synthase ShGdmF
To Be Published
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8BT6
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8BSU
 | | Crystal structure of the kainate receptor GluK3-H523A ligand binding domain in complex with kainate and the positive allosteric modulator BPAM344 at 2.9A resolution | | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, ... | | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2022-11-26 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Positive allosteric modulation of homomeric kainate receptors GluK1-3
To Be Published
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8BST
 | | Crystal structure of the kainate receptor GluK3-H523A ligand binding domain in complex with kainate at 2.7A resolution | | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, ACETATE ION, CHLORIDE ION, ... | | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2022-11-26 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Small-molecule positive allosteric modulation of homomeric kainate receptors GluK1-3: development of screening assays and insight into GluK3 structure.
Febs J., 291, 2024
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8BSG
 | | COMPLEX OF LEPORINE SERUM ALBUMIN WITH DICLOFENAC | | Descriptor: | (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, ... | | Authors: | Bujacz, A, Talaj, J, Zielinski, K. | | Deposit date: | 2022-11-25 | | Release date: | 2023-02-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins.
Int J Mol Sci, 24, 2023
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8BS4
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8BRP
 | | Peptide Arginase OspR from the cyanobacterium Kamptonema sp. | | Descriptor: | ACETATE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Mordhorst, S, Badmann, T, Boesch, N.M, Morinaka, B.I, Rach, H, Piel, J, Groll, M, Vagstadt, A.L. | | Deposit date: | 2022-11-23 | | Release date: | 2023-03-01 | | Last modified: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and Biochemical Insights into Post-Translational Arginine-to-Ornithine Peptide Modifications by an Atypical Arginase.
Acs Chem.Biol., 18, 2023
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8BRC
 | | Crystal structure of the adduct between human serum transferrin and cisplatin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIA, FE (III) ION, ... | | Authors: | Troisi, R, Galardo, F, Ferraro, G, Sica, F, Merlino, A. | | Deposit date: | 2022-11-22 | | Release date: | 2023-01-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | Cisplatin Binding to Human Serum Transferrin: A Crystallographic Study.
Inorg.Chem., 62, 2023
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8BR6
 | | Discovery of IRAK4 Inhibitor 40 | | Descriptor: | ACETATE ION, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)pyridine-2-carboxamide | | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wengner, A.M, Guimond, N, Thaler, T, Platzek, J, Ewerspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | Deposit date: | 2022-11-22 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.167 Å) | | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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8BQP
 | | Hen Egg-White Lysozyme (HEWL) complexed with methyl-functionalised Anderson-Evans polyoxometalate | | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | | Deposit date: | 2022-11-21 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins.
Faraday Disc.Chem.Soc, 244, 2023
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8BQM
 | | X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-FPhF)(O2CCH3)3] (Structure 4) | | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme, ... | | Authors: | Teran, A, Merlino, A, Ferraro, G. | | Deposit date: | 2022-11-21 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Effect of Equatorial Ligand Substitution on the Reactivity with Proteins of Paddlewheel Diruthenium Complexes: Structural Studies.
Inorg.Chem., 62, 2023
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8BPB
 | | Cryo-EM structure of the human SIN3B histone deacetylase core complex at 2.8 Angstrom | | Descriptor: | ACETATE ION, CALCIUM ION, Histone deacetylase 2, ... | | Authors: | Wan, M.S.M, Muhammad, R, Koliopolous, M.G, Alfieri, C. | | Deposit date: | 2022-11-16 | | Release date: | 2023-05-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex.
Nat Commun, 14, 2023
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8BP1
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8BOX
 | | LSD1-CoREST in complex with AW4 and SNAG peptide | | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... | | Authors: | Caroli, J, Mattevi, A. | | Deposit date: | 2022-11-15 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
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8BOV
 | | X-ray structure of the adduct formed upon reaction of the five-coordinate Pt(II) complex, 1-Me,Me, with HEWL at pH 7.5 | | Descriptor: | 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene], 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | | Authors: | Ferraro, G, Tito, G, Merlino, A. | | Deposit date: | 2022-11-15 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Impact of Hydrophobic Chains in Five-Coordinate Glucoconjugate Pt(II) Anticancer Agents.
Int J Mol Sci, 24, 2023
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8BOU
 | | Crystal structure of Blautia producta GH94 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | | Authors: | Levy, C.W. | | Deposit date: | 2022-11-15 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Blautia producta is a competent degrader among human gut Firmicutes for utilizing dietary beta mixed linkage glucan
To Be Published
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8BOP
 | | LSD1-CoREST in complex with AW4, long soaking | | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-5-[3-[4-(3-phenylphenyl)phenyl]propanoyl]-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | | Authors: | Caroli, J, Mattevi, A. | | Deposit date: | 2022-11-15 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
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8BLL
 | | Structure of RutB | | Descriptor: | ACETATE ION, Ureidoacrylate amidohydrolase RutB | | Authors: | Rajendran, C. | | Deposit date: | 2022-11-09 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural and Functional Characterization of the Ureidoacrylate Amidohydrolase RutB from Escherichia coli .
Biochemistry, 62, 2023
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8BJT
 | | Structure of human PLK1 in complex with 2-Allyl-1-[6-(1-hydroxy-1-methyl-ethyl)-pyridin-2-yl]-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one | | Descriptor: | 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | | Authors: | Musil, D, Liu-Bujalski, L. | | Deposit date: | 2022-11-06 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.188 Å) | | Cite: | Selective Wee1 Inhibitors Led to Antitumor Activity In Vitro and Correlated with Myelosuppression.
Acs Med.Chem.Lett., 14, 2023
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8BJ2
 | | Crystal structure of Medicago truncatula histidinol-phosphate aminotransferase (HISN6) in the closed state | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, SODIUM ION, ... | | Authors: | Rutkiewicz, M, Ruszkowski, M. | | Deposit date: | 2022-11-03 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Insights into the substrate specificity, structure, and dynamics of plant histidinol-phosphate aminotransferase (HISN6).
Plant Physiol Biochem., 196, 2023
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