8VR6
 
 | | crystal structure of the Pcryo_0619 N-acetryltransferase from Psychrobacter cryohalolentis K5 in the presence of CoA-disulfide | | Descriptor: | Acetyltransferase, putative, [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | | Authors: | Dunsirn, M.M, Bockhaus, N.J, Thoden, J.B, Holden, H.M. | | Deposit date: | 2024-01-20 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5
To Be Published
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9EQ0
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJG12 | | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[4-[(3-chloranyl-4-phenyl-phenyl)methylamino]butyl]isoquinoline-5-sulfonamide | | Authors: | Kraemer, A, Greco, F, Gerninghaus, J, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-03-20 | | Release date: | 2024-05-01 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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9EOU
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9CIJ
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23E/L36R at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Zhang, Y, Schlessman, L.J, Siegler, M.A, Garcia-Moreno E, B. | | Deposit date: | 2024-07-03 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23E/L36R at cryogenic temperature
To Be Published
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6OIZ
 | | Amyloid-Beta (20-34) wild type | | Descriptor: | Amyloid beta A4 protein | | Authors: | Sawaya, M.R, Warmack, R.A, Zee, C.T, Gonen, T, Clarke, S.G, Eisenberg, D.S. | | Deposit date: | 2019-04-10 | | Release date: | 2019-08-07 | | Last modified: | 2024-05-15 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.1 Å) | | Cite: | Structure of amyloid-beta (20-34) with Alzheimer's-associated isomerization at Asp23 reveals a distinct protofilament interface.
Nat Commun, 10, 2019
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8WX7
 | | Crystal structure of SHP2 in complex with JAB-3186 | | Descriptor: | (5~{S})-1'-[6-azanyl-5-(2-azanyl-3-chloranyl-pyridin-4-yl)sulfanyl-pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Ma, C, Gao, P, Kang, D, Han, H, Sun, X, Zhang, W, Qian, D, Wang, Y, Long, W. | | Deposit date: | 2023-10-27 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Discovery of JAB-3312, a Potent SHP2 Allosteric Inhibitor for Cancer Treatment.
J.Med.Chem., 2024
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9CIK
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23R/L36D at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Zhang, Y, Schlessman, J.L, SIegler, M.A, Garcia-Moreno E, B. | | Deposit date: | 2024-07-03 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23R/L36D at cryogenic temperature
To Be Published
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4G89
 | | Crystal structure of k. pneumoniae mta/adohcy nucleosidase in complex with fragmented s-adenosyl-l-homocysteine | | Descriptor: | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Norris, G.E, Brown, R.L, Anderson, B.F, Tyler, P.C, Evans, G.B. | | Deposit date: | 2012-07-23 | | Release date: | 2012-09-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of k. pneumoniae mta/adohcy nucleosidase in complex with fragmented s-adenosyl-l-homocysteine
To be Published
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8VR5
 | | crystal structure of the Pcryo_0618 aminotransferase from Psychrobacter cryohalolentis K5 in the presence of PMP and glutamate | | Descriptor: | 1,2-ETHANEDIOL, 2,2'-(1,4-diazepane-1,4-diyl)di(ethane-1-sulfonic acid), 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Bockhaus, N.J, Thoden, J.B, Holden, H.M. | | Deposit date: | 2024-01-20 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5
To Be Published
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9FB2
 | | Gcase in complex with small molecule inhibitor 1 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Tisi, D, Cleasby, A. | | Deposit date: | 2024-05-11 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
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8YRF
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8YM2
 | | Crystal structure of AIDA-1 PTB domain in complex with SynGAP NPxF motif | | Descriptor: | Ankyrin repeat and sterile alpha motif domain-containing protein 1B, Ras/Rap GTPase-activating protein SynGAP | | Authors: | Wang, X, Wang, Y, Cai, Q, Zhang, M. | | Deposit date: | 2024-03-08 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | AIDA-1/ANKS1B Binds to the SynGAP Family RasGAPs with High Affinity and Specificity.
J.Mol.Biol., 436, 2024
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8WZL
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8WIY
 | | cryo-EM structure of alligator haemoglobin in oxy form | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | | Authors: | Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H. | | Deposit date: | 2023-09-25 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (2.31 Å) | | Cite: | The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM.
Nat Commun, 15, 2024
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8YTR
 | | The structure of Cu(II)-CopC from Thioalkalivibrio paradoxus | | Descriptor: | COPPER (II) ION, CopC domain-containing protein, DI(HYDROXYETHYL)ETHER | | Authors: | Kulikova, O.G, Solovieva, A.Y, Varfolomeeva, L.A, Dergousova, N.I, Nikolaeva, A.Y, Boyko, K.M, Tikhonova, T.V, Popov, V.O. | | Deposit date: | 2024-03-26 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structure of Cu(II)-CopC from Thioalkalivibrio paradoxus
To Be Published
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6RPJ
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6OA6
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3V74
 | | crystal structure of FBF-2 in complex with gld-1 FBEa13 RNA | | Descriptor: | Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*CP*AP*UP*GP*UP*GP*CP*CP*AP*UP*AP*C)-3') | | Authors: | Wang, Y, Qiu, C, Kershner, A, Holley, C.P, Wilinski, D, Keles, S, Kimble, J, Wickens, M, Hall, T.M.T. | | Deposit date: | 2011-12-20 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Divergence of PUF protein specificity through variations in an RNA-binding pocket
J.Biol.Chem., 2012
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8YTS
 | | The structure of the cytochrome c546/556 from Thioalkalivibrio paradoxus with unusual UV-Vis spectral features at atomic resolution | | Descriptor: | Cytochrome C, HEME C | | Authors: | Varfolomeeva, L.A, Solovieva, A.Y, Dergousova, N.I, Boyko, K.M, Tikhonova, T.V, Popov, V.O. | | Deposit date: | 2024-03-26 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | The structure of the cytochrome c546/556 from Thioalkalivibrio paradoxus with unusual UV-Vis spectral features at atomic resolution
To Be Published
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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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8YU6
 | | The structure of thiocyanate dehydrogenase mutant with the H447Q substitution from Pelomicrobium methylotrophicum (pmTcDH H447Q), activated by crystal soaking with 1mM CuCl2 and 1 mM sodium ascorbate | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ... | | Authors: | Varfolomeeva, L.A, Shipkov, N.S, Dergousova, N.I, Boyko, K.M, Tikhonova, T.V, Popov, V.O. | | Deposit date: | 2024-03-26 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The structure of thiocyanate dehydrogenase mutant with the H447Q substitution from Pelomicrobium methylotrophicum (pmTcDH H447Q), activated by crystal soaking with 1mM CuCl2 and 1 mM sodium ascorbate
To Be Published
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8WG1
 | | Crystal structure of GH97 glucodextranase mutant E509Q from Flavobacterium johnsoniae in complex with panose | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Candidate alpha-glucosidase Glycoside hydrolase family 97, ... | | Authors: | Kurata, R, Nakamura, S, Miyazaki, T. | | Deposit date: | 2023-09-20 | | Release date: | 2024-05-08 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structural insights into alpha-(1→6)-linkage preference of GH97 glucodextranase from Flavobacterium johnsoniae.
Febs J., 291, 2024
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9BDZ
 | | TA-centric NF-kappaB RelA binding DNA | | Descriptor: | ACETATE ION, ZINC ION, double-stranded DNA | | Authors: | Biswas, T, Shahabi, S, Tsodikov, O.V, Wang, V, Ghosh, G. | | Deposit date: | 2024-04-13 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8YYR
 | | Structure of the HitB T293G mutant | | Descriptor: | Putative ATP-dependent b-aminoacyl-ACP synthetase, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(2-bromophenyl)propanoyl]sulfamate | | Authors: | Wang, D, Miyanaga, A, Chisuga, T, Kudo, F, Eguchi, T. | | Deposit date: | 2024-04-04 | | Release date: | 2024-06-05 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering the Substrate Specificity of (S)-beta-Phenylalanine Adenylation Enzyme HitB.
Chembiochem, 25, 2024
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9FST
 | | Yeast 20S proteasome with human beta1i (1-51) in complex with epoxyketone inhibitor LU-001i | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | | Deposit date: | 2024-06-21 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites
To Be Published
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