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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8WI3
 | | ND-hMRP5-inward open | | Descriptor: | ATP-binding cassette sub-family C member 5 | | Authors: | Liu, Z.M, Huang, Y. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5.
Nat Commun, 15, 2024
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8ZGD
 | | The Crystal Structure of the NLRP1_LRR domain from Biortus. | | Descriptor: | GLYCEROL, NACHT, LRR and PYD domains-containing protein 1, ... | | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Pan, W. | | Deposit date: | 2024-05-09 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The Crystal Structure of the NLRP1_LRR domain from Biortus.
To Be Published
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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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9FQI
 | | E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7) | | Descriptor: | 8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | Authors: | Schimpl, M. | | Deposit date: | 2024-06-17 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design
To be published
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9BVV
 | | NMR structure of TLP-3 in solution | | Descriptor: | Temporin-1Tl | | Authors: | Jia, R, McShan, A.C. | | Deposit date: | 2024-05-20 | | Release date: | 2024-06-05 | | Method: | SOLUTION NMR | | Cite: | Design and Development of Temporin L Analogues to Inhibit the Main Protease of SARS-CoV-2
To Be Published
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8P3P
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8W0S
 | | Human EBP complexed with compound 3a | | Descriptor: | 1-methyl-8-[(oxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | | Authors: | Sun, D, Masureel, M. | | Deposit date: | 2024-02-14 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Discovery and Optimization of Selective Brain-Penetrant EBP Inhibitors that Enhance Oligodendrocyte Formation.
J.Med.Chem., 67, 2024
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8ZMN
 | | Crystal structure of ANTXR1 | | Descriptor: | Anthrax toxin receptor 1, SODIUM ION | | Authors: | Zheng, H, Hu, J, Fu, L, Chen, R. | | Deposit date: | 2024-05-23 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | X-ray structure of Anthrax toxin receptor 1 APO from Rattus norvegicus
To Be Published
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8WWB
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8XKF
 | | Crystal structure of Helicobacter pylori IspDF with substrate CTP | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional enzyme IspD/IspF, CHLORIDE ION, ... | | Authors: | Chen, X, Wu, D. | | Deposit date: | 2023-12-23 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
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8X01
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9BKT
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8WWY
 | | Crystal structure of mouse TIFA/TIFAB heterodimer | | Descriptor: | (2R,5R)-hexane-2,5-diol, TRAF-interacting protein with FHA domain-containing protein A, TRAF-interacting protein with FHA domain-containing protein B | | Authors: | Nakamura, T. | | Deposit date: | 2023-10-27 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | TIFAB regulates the TIFA-TRAF6 signaling pathway involved in innate immunity by forming a heterodimer complex with TIFA.
Proc.Natl.Acad.Sci.USA, 121, 2024
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9FQJ
 | | E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12) | | Descriptor: | 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | Authors: | Schimpl, M. | | Deposit date: | 2024-06-17 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.563 Å) | | Cite: | Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design
To be published
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9AYB
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8YXO
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6XJR
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8YHF
 | | The Crystal Structure of the Type I TGF beta receptor from Biortus. | | Descriptor: | 2-fluoranyl-~{N}-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1~{H}-imidazol-2-yl]methyl]aniline, TGF-beta receptor type-1 | | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y. | | Deposit date: | 2024-02-28 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Crystal Structure of the Type I TGF beta receptor from Biortus.
To Be Published
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9FJC
 | | Compact CVB1-VLP (Tween80) | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Plavec, Z, Butcher, S.J. | | Deposit date: | 2024-05-30 | | 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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8OQX
 | | Crystal structure of Tannerella forsythia MurNAc kinase MurK with a phosphate analogue | | Descriptor: | 1,2-ETHANEDIOL, ATPase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gogler, K, Fink, P, Stasiak, A.C, Stehle, T, Zocher, G. | | Deposit date: | 2023-04-12 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia.
J.Biol.Chem., 299, 2023
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9BN9
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8VC6
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8XVY
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8Y95
 | | Structure of NET-NE in Occluded state | | Descriptor: | CHLORIDE ION, Noradrenaline, SODIUM ION, ... | | Authors: | Zhang, H, Xu, H.E, Jiang, Y. | | Deposit date: | 2024-02-06 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024
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