9D6M
 
 | | Nitrile hydratase BR157K mutant | | Descriptor: | Cobalt-containing nitrile hydratase subunit alpha, Cobalt-containing nitrile hydratase subunit beta | | Authors: | Miller, C.G, Holz, R.C, Liu, D, Kaley, N. | | Deposit date: | 2024-08-15 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Role of second-sphere arginine residues in metal binding and metallocentre assembly in nitrile hydratases.
J Inorg Biochem, 256, 2024
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9FCL
 | | CysG(N-16) in complex with SAM from Kitasatospora cystarginea | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kuttenlochner, W, Beller, P, Kaysser, L, Groll, M. | | Deposit date: | 2024-05-15 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Deciphering the SAM- and metal-dependent mechanism of O-methyltransferases in cystargolide and belactosin biosynthesis: A structure-activity relationship study.
J.Biol.Chem., 300, 2024
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9BJY
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7AML
 | | RET/GDNF/GFRa1 extracellular complex Cryo-EM structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GDNF family receptor alpha, ... | | Authors: | Adams, S.E, Earl, C.P, Purkiss, A.G, McDonald, N.Q. | | Deposit date: | 2020-10-09 | | Release date: | 2021-01-13 | | Last modified: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | A two-site flexible clamp mechanism for RET-GDNF-GFR alpha 1 assembly reveals both conformational adaptation and strict geometric spacing.
Structure, 29, 2021
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9C0O
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9B5F
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9J8E
 | | Structural insights into BirA from Haemophilus influenzae, a bifunctional protein as a biotin protein ligase and a transcriptional repressor | | Descriptor: | BIOTINYL-5-AMP, Bifunctional ligase/repressor BirA | | Authors: | Lee, J.Y, Jeong, K.H, Son, S.B, Ko, J.H. | | Deposit date: | 2024-08-21 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural insights into BirA from Haemophilus influenzae, a bifunctional protein as a biotin protein ligase and a transcriptional repressor.
Biochem.Biophys.Res.Commun., 733, 2024
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9C8S
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9BON
 | | Crystal structure of glucosyltransferase (GTD) domain of TpeL | | Descriptor: | TpeL | | Authors: | Gill, S, Sugiman-Marangos, S.N, Beilhartz, G.L, Mei, E, Taipale, M, Melnyk, R.A. | | Deposit date: | 2024-05-05 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.222 Å) | | Cite: | A diphtheria toxin-like intracellular delivery platform that evades pre-existing antidrug antibodies.
Embo Mol Med, 2024
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9CIW
 | | Penguinpox cGAMP PDE H72A mutant in complex with 2'3'-cGAMP | | Descriptor: | Penguinpox cGAMP PDE, [(2~{R},3~{R},4~{R},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2~{R},3~{R},4~{S},5~{R})-2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate | | Authors: | Hobbs, S.J, Nomburg, J, Doudna, J.A, Kranzusch, P.J. | | Deposit date: | 2024-07-05 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Animal and bacterial viruses share conserved mechanisms of immune evasion.
Cell, 2024
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9EZG
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((4-((2-aminoethyl)(ethyl)amino)-3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Descriptor: | 1,2-ETHANEDIOL, 5-[[4-[2-azanylethyl(ethyl)amino]-3-(1,2,4-triazol-4-yl)phenyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | | Authors: | Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-12 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication.
J.Med.Chem., 67, 2024
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9J6I
 | | Crystal structure of the ABA receptor PYL1 in complex with DBSA compound | | Descriptor: | 5-bromanyl-N2-[(4-bromophenyl)-bis(oxidanyl)-$l^4-sulfanyl]-N1,N1,N3,N3-tetrakis(oxidanyl)benzene-1,2,3-triamine, Abscisic acid receptor PYL1 | | Authors: | Yan, J. | | Deposit date: | 2024-08-16 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Chemical control of plant water loss by stabilizing dimeric ABA receptor
To Be Published
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9FCU
 | | CysG(N-16)-H121A mutant in complex with SAH from Kitasatospora cystarginea | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SAM-dependent methyltransferase | | Authors: | Kuttenlochner, W, Beller, P, Kaysser, L, Groll, M. | | Deposit date: | 2024-05-15 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Deciphering the SAM- and metal-dependent mechanism of O-methyltransferases in cystargolide and belactosin biosynthesis: A structure-activity relationship study.
J.Biol.Chem., 300, 2024
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9FEH
 | | Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the STM957 inhibitor | | Descriptor: | Transcription factor ETV6,Guanine-N7 methyltransferase nsp14, ZINC ION, ~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-pyridin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-cyano-~{N}-ethyl-4-methoxy-benzenesulfonamide | | Authors: | Zilecka, E, Klima, M, Boura, E. | | Deposit date: | 2024-05-20 | | Release date: | 2024-08-28 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure of SARS-CoV-2 MTase nsp14 with the inhibitor STM957 reveals inhibition mechanism that is shared with a poxviral MTase VP39.
J Struct Biol X, 10, 2024
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9EO4
 | | Outward-open structure of human dopamine transporter bound to cocaine | | Descriptor: | CHLORIDE ION, CHOLESTEROL, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Nielsen, J.C, Salomon, K, Kalenderoglou, I.E, Bargmeyer, S, Pape, T, Shahsavar, A, Loland, C.J. | | Deposit date: | 2024-03-14 | | Release date: | 2024-07-03 | | Last modified: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Structure of the human dopamine transporter in complex with cocaine.
Nature, 632, 2024
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9FS9
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9C8R
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9CGI
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9FJD
 | | Expanded CVB1-VLP (Tween80) | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | | Authors: | Plavec, Z, Butcher, S.J. | | Deposit date: | 2024-05-31 | | Release date: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (2.15 Å) | | Cite: | Comparison of structure and immunogenicity of CVB1-VLP and inactivated CVB1 vaccine candidates.
Res Sq, 2024
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9BNR
 | | 4-(2-isothiocyanatoethyl)benzenesulfonamide complexed with Macrophage Migration Inhibitory Factor | | Descriptor: | Macrophage migration inhibitory factor, N-[2-(4-sulfamoylphenyl)ethyl]methanethioamide, SULFATE ION | | Authors: | Fellner, M, Rutledge, M.T, Putha, L, Kok, L.K, Gamble, A.B, Wilbanks, S.M, Vernall, A.J, Tyndall, J.D.A. | | Deposit date: | 2024-05-02 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Covalent isothiocyanate inhibitors of macrophage migration inhibitory factor as potential colorectal cancer treatments.
Chemmedchem, 2024
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9B5B
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4OY7
 | | Structure of cellulose active LPMO CelS2 (ScLPMO10C) in complex with Copper. | | Descriptor: | CALCIUM ION, COPPER (II) ION, Putative secreted cellulose binding protein | | Authors: | Forsberg, Z, Mackenzie, A.K, Sorlie, M, Rohr, A.K, Helland, R, Arvai, A.S, Vaaje-Kolstad, G, Eijsink, V.G.H. | | Deposit date: | 2014-02-11 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and functional characterization of a conserved pair of bacterial cellulose-oxidizing lytic polysaccharide monooxygenases.
Proc.Natl.Acad.Sci.USA, 111, 2014
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9F98
 | | Crystal structure of MUS81-EME1, apo form. | | Descriptor: | Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81 | | Authors: | Collie, G.W. | | Deposit date: | 2024-05-07 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Fragment-Based Discovery of Novel MUS81 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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9FX6
 | | Crystal structure of Cryo2RT SARS-CoV-2 main protease at 100K | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Huang, C.Y, Aumonier, S, Mac Sweeney, A, Olieric, V, Wang, M. | | Deposit date: | 2024-07-01 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.227 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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9AZA
 | | Crystal structure of LolTv4 | | Descriptor: | Aminotransferase, class V/Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Gao, J, Hai, Y. | | Deposit date: | 2024-03-10 | | Release date: | 2024-07-17 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Enzymatic Synthesis of Unprotected alpha , beta-Diamino Acids via Direct Asymmetric Mannich Reactions.
J.Am.Chem.Soc., 146, 2024
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