8C49
 
 | | Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for 3-Methyl-L-histidine, bound to AMPPNP | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Hardy, F.J, Levy, C.W. | | Deposit date: | 2023-01-03 | | Release date: | 2023-07-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Engineering mutually orthogonal PylRS/tRNA pairs for dual encoding of functional histidine analogues.
Protein Sci., 32, 2023
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5XMU
 | | Plasmodium vivax SHMT bound with PLP-glycine and GS363 | | Descriptor: | (4~{S})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | | Deposit date: | 2017-05-16 | | Release date: | 2017-11-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs
Chemistry, 23, 2017
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8CDY
 | | N-terminal domain of human apolipoprotein E | | Descriptor: | Maltodextrin-binding protein,Apolipoprotein E | | Authors: | Marek, M, Nemergut, M. | | Deposit date: | 2023-02-01 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer's Disease drug candidate.
Mol Neurodegener, 18, 2023
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5B1X
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8CK4
 | | STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (4S)-1-(3,5-difluorophenyl)-5,5-difluoro-3-methanesulfonyl-4,5,6,7-tetrahydro-2-benzothiophen-4-ol | | Descriptor: | (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Musil, D. | | Deposit date: | 2023-02-14 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
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5XNS
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8CAZ
 | | empty 30S head | | Descriptor: | 16S rRNA, 30S ribosomal protein S2, 30S ribosomal protein S7, ... | | Authors: | Paternoga, H, Beckert, B, Wilson, D.N. | | Deposit date: | 2023-01-24 | | Release date: | 2023-07-26 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (2.11 Å) | | Cite: | Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
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8CP0
 | | Structure of the catalytic domain of P. vivax Sub1 (trigonal crystal form) | | Descriptor: | CALCIUM ION, subtilisin | | Authors: | Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A. | | Deposit date: | 2023-03-01 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.251 Å) | | Cite: | 3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor.
Acta Crystallogr D Struct Biol, 79, 2023
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5XMC
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8CIQ
 | | JzTx-34 toxin peptide | | Descriptor: | Mu-theraphotoxin-Cg1a | | Authors: | Landon, C, Meudal, H. | | Deposit date: | 2023-02-10 | | Release date: | 2023-07-26 | | Method: | SOLUTION NMR | | Cite: | Structure-function relationship of new peptides activating human Na v 1.1.
Biomed Pharmacother, 165, 2023
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5XMT
 | | Plasmodium vivax SHMT bound with PLP-glycine and GS380 | | Descriptor: | (4~{S})-6-azanyl-4-[3-(2-cyanophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | | Deposit date: | 2017-05-16 | | Release date: | 2017-11-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs
Chemistry, 23, 2017
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8CJP
 | | JzTx-34 toxin peptide H18A mutant | | Descriptor: | Mu-theraphotoxin-Cg1a | | Authors: | Landon, C, Meudal, H. | | Deposit date: | 2023-02-13 | | Release date: | 2023-07-26 | | Method: | SOLUTION NMR | | Cite: | Structure-function relationship of new peptides activating human Na v 1.1.
Biomed Pharmacother, 165, 2023
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5XOJ
 | | Crystal structure of Xpo1p-PKI-Nup42p-Gsp1p-GTP complex | | Descriptor: | Exportin-1, GTP-binding nuclear protein, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Koyama, M, Shirai, N, Matsuura, Y. | | Deposit date: | 2017-05-29 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the Xpo1p nuclear export complex bound to the SxFG/PxFG repeats of the nucleoporin Nup42p
Genes Cells, 22, 2017
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8CCI
 | | Crystal structure of Mycobacterium smegmatis thioredoxin reductase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Fuesser, F.T, Koch, O, Kuemmel, D. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Novel starting points for fragment-based drug design against mycobacterial thioredoxin reductase identified using crystallographic fragment screening.
Acta Crystallogr D Struct Biol, 79, 2023
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5XP6
 | | native structure of NDM-1 crystallized at pH5.5 | | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ... | | Authors: | Zhang, H, Ma, G, Lai, J, Sun, H. | | Deposit date: | 2017-06-01 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors
Nat Commun, 9, 2018
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8C29
 | | Cryo-EM structure of photosystem II C2S2 supercomplex from Norway spruce (Picea abies) at 2.8 Angstrom resolution | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Kopecny, D, Semchonok, D.A, Kouril, R. | | Deposit date: | 2022-12-21 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.785 Å) | | Cite: | Cryo-EM structure of a plant photosystem II supercomplex with light-harvesting protein Lhcb8 and alpha-tocopherol.
Nat.Plants, 9, 2023
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8CJS
 | | JzTx-34 toxin peptide W31A mutant | | Descriptor: | Mu-theraphotoxin-Cg1a | | Authors: | Landon, C, Meudal, H. | | Deposit date: | 2023-02-13 | | Release date: | 2023-07-26 | | Method: | SOLUTION NMR | | Cite: | Structure-function relationship of new peptides activating human Na v 1.1.
Biomed Pharmacother, 165, 2023
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8BZP
 | | JNK3 (Mitogen-activated protein kinase 10) in Complex with Compound 23 bearing a C(sp3)F2Br moiety | | Descriptor: | 1,2-ETHANEDIOL, 2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide, BETA-MERCAPTOETHANOL, ... | | Authors: | Stahlecker, J, Vaas, S, Stehle, T, Boeckler, F.M. | | Deposit date: | 2022-12-15 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Principles and Applications of CF 2 X Moieties as Unconventional Halogen Bond Donors in Medicinal Chemistry, Chemical Biology, and Drug Discovery.
J.Med.Chem., 66, 2023
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5XPZ
 | | Structural basis of kindlin-mediated integrin recognition and activation | | Descriptor: | Fermitin family homolog 2, GLYCEROL | | Authors: | Li, H, Yang, H, Sun, K, Zhang, Z, Yu, C, Wei, Z. | | Deposit date: | 2017-06-05 | | Release date: | 2017-07-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Structural basis of kindlin-mediated integrin recognition and activation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8CJQ
 | | JzTx-34 toxin peptide E20A mutant | | Descriptor: | Mu-theraphotoxin-Cg1a | | Authors: | Landon, C, Meudal, H. | | Deposit date: | 2023-02-13 | | Release date: | 2023-07-26 | | Method: | SOLUTION NMR | | Cite: | Structure-function relationship of new peptides activating human Na v 1.1.
Biomed Pharmacother, 165, 2023
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8CJR
 | | JzTx-34 toxin peptide W25A mutant | | Descriptor: | Mu-theraphotoxin-Cg1a | | Authors: | Landon, C, Meudal, H. | | Deposit date: | 2023-02-13 | | Release date: | 2023-07-26 | | Method: | SOLUTION NMR | | Cite: | Structure-function relationship of new peptides activating human Na v 1.1.
Biomed Pharmacother, 165, 2023
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5XPI
 | | Structure of UHRF1 TTD in complex with NV01 | | Descriptor: | E3 ubiquitin-protein ligase UHRF1, N-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^2,6]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide | | Authors: | Luo, X, Zhao, K. | | Deposit date: | 2017-06-02 | | Release date: | 2018-04-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Small-Molecule Antagonists of the H3K9me3 Binding to UHRF1 Tandem Tudor Domain
SLAS Discov, 23, 2018
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8CJT
 | | JzTx-34 toxin peptide W33A mutant | | Descriptor: | Mu-theraphotoxin-Cg1a | | Authors: | Landon, C, Meudal, H. | | Deposit date: | 2023-02-13 | | Release date: | 2023-07-26 | | Method: | SOLUTION NMR | | Cite: | Structure-function relationship of new peptides activating human Na v 1.1.
Biomed Pharmacother, 165, 2023
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4V1W
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5XPY
 | | Structural basis of kindlin-mediated integrin recognition and activation | | Descriptor: | ACETATE ION, Fermitin family homolog 2, GLYCEROL | | Authors: | Li, H, Yang, H, Sun, K, Zhang, Z, Yu, C, Wei, Z. | | Deposit date: | 2017-06-05 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Structural basis of kindlin-mediated integrin recognition and activation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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