8VBW
 
 | | Structure of the monofunctional Staphylococcus aureus PBP1 in its beta-lactam (Ertapenem) inhibited form | | Descriptor: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein 1 | | Authors: | Bon, C.G, Lee, J, Caveney, N.A, Strynadka, N.C.J. | | Deposit date: | 2023-12-12 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and kinetic analysis of the monofunctional Staphylococcus aureus PBP1.
J.Struct.Biol., 216, 2024
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8VJS
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8WZG
 | | SFX structure of an Mn-carbonyl complex immobilized in hen egg white lysozyme microcrystals, 10 ns after photoexcitation at RT. | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | | Authors: | Maity, B, Shoji, M, Luo, F, Nakane, T, Abe, S, Owada, S, Kang, J, Tono, K, Tanaka, R, Thuc, T.T, Kojima, M, Hishikawa, Y, Tanaka, J, Tian, J, Noya, H, Nakasuji, Y, Asanuma, A, Yao, X, Iwata, S, Shigeta, Y, Nango, E, Ueno, T. | | Deposit date: | 2023-11-01 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Real-time observation of a metal complex-driven reaction intermediate using a porous protein crystal and serial femtosecond crystallography.
Nat Commun, 15, 2024
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9AT7
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a 2,2-difluoro-5-methylbenzo[1,3]dioxole 2-pyrrolidone inhibitor | | Descriptor: | (1R,2S)-2-({N-[({(2S)-1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2024-02-26 | | Release date: | 2024-07-10 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 67, 2024
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8WGR
 | | Cryo-EM structure of inward-open state human norepinephrine transporter NET bound with antidepressant desipramine in KCl condition. | | Descriptor: | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | | Deposit date: | 2023-09-22 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | Molecular basis of human noradrenaline transporter reuptake and inhibition.
Nature, 2024
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8VDY
 | | Crystal Structure of Delta 114-117 D-Dopachrome Tautomerase (D-DT) | | Descriptor: | D-dopachrome decarboxylase | | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | | Deposit date: | 2023-12-18 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
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8WXY
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 23 | | Descriptor: | 5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-4-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]pyridin-2-one, Bromodomain-containing protein 4, GLYCEROL | | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | | Deposit date: | 2023-10-30 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
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8X9D
 | | Crystal structure of CO dehydrogenase mutant with increased affinity for electron mediators in high PEG concentration | | Descriptor: | Carbon monoxide dehydrogenase 2, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ... | | Authors: | Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y. | | Deposit date: | 2023-11-30 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
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8WUW
 | | Cryo-EM structure of H. thermophilus GroEL-GroES2 asymmetric football complex | | Descriptor: | Chaperonin GroEL, Co-chaperonin GroES, MAGNESIUM ION, ... | | Authors: | Liao, Z, Gopalasingam, C.C, Kameya, M, Gerle, C, Shigematsu, H, Ishii, M, Arakawa, T, Fushinobu, S. | | Deposit date: | 2023-10-21 | | Release date: | 2024-03-27 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural insights into thermophilic chaperonin complexes.
Structure, 32, 2024
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9FE6
 | | Short-chain dehydrogenase/reductase (SDR) from Thermus caliditerrae | | Descriptor: | MAGNESIUM ION, SDR family oxidoreductase | | Authors: | Kapur, B, Nar, H. | | Deposit date: | 2024-05-17 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.875 Å) | | Cite: | In silico enzyme screening identifies an SDR ketoreductase from Thermus caliditerrae as an attractive biocatalyst and promising candidate for protein engineering
Front Chem Biol, 2024
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9B9V
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8XPV
 | | The Crystal Structure of EphA2 from Biortus. | | Descriptor: | 1,2-ETHANEDIOL, 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea, Ephrin type-A receptor 2, ... | | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y. | | Deposit date: | 2024-01-04 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The Crystal Structure of EphA2 from Biortus.
To Be Published
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8WBT
 | | Crystal structure of cis-Epoxysuccinate Hydrolases KlCESH[L] mutant D48N complexed with L-TA | | Descriptor: | (S)-2-haloacid dehalogenase, CALCIUM ION, GLYCEROL, ... | | Authors: | Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q. | | Deposit date: | 2023-09-10 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid.
J.Biol.Chem., 300, 2024
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8Y86
 | | Human AE3 with NaHCO3- | | Descriptor: | Anion exchange protein 3, BICARBONATE ION | | Authors: | Jian, L, Zhang, Q, Yao, D, Cao, Y. | | Deposit date: | 2024-02-06 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | The structural insight into the functional modulation of human anion exchanger 3.
Nat Commun, 15, 2024
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8VS9
 | | Endogenous trans-translation complex with tmRNA*SmpB in the P site and alanyl-tRNA in the A site and deacyl-tRNA in the E site of E. coli 70S ribosome | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Teran, D, Zhang, Y, Korostelev, A.A. | | Deposit date: | 2024-01-23 | | Release date: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Endogenous trans-translation structure visualizes the decoding of the first tmRNA alanine codon.
Front Microbiol, 15, 2024
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8WUC
 | | Cryo-EM structure of H. thermoluteolus GroEL-GroES2 football complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperonin GroEL, Co-chaperonin GroES, ... | | Authors: | Liao, Z, Gopalasingam, C.C, Kameya, M, Gerle, C, Shigematsu, H, Ishii, M, Arakawa, T, Fushinobu, S. | | Deposit date: | 2023-10-20 | | Release date: | 2024-03-27 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural insights into thermophilic chaperonin complexes.
Structure, 32, 2024
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8W50
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8WUI
 | | SKOR D312N L271P double mutation | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium channel SKOR | | Authors: | Gao, X, Sun, T, Lu, Y, Jia, Y, Xu, X, Zhang, Y, Fu, P, Yang, G. | | Deposit date: | 2023-10-20 | | Release date: | 2024-04-10 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural changes in the conversion of an Arabidopsis outward-rectifying K + channel into an inward-rectifying channel.
Plant Commun., 5, 2024
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8XE5
 | | norbelladine 4'-O-methyltransferase complexed with Mg, SAH, and 3,4-dihydroxybenzaldehyde | | Descriptor: | GLYCEROL, MAGNESIUM ION, Norbelladine 4'-O-methyltransferase, ... | | Authors: | Saw, Y.Y.H, Nakashima, Y, Morita, H. | | Deposit date: | 2023-12-11 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure-Based Catalytic Mechanism of Amaryllidaceae O-Methyltransferases
Acs Catalysis, 2024
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8XMH
 | | Potassium transporter KtrAB from Bacillus subtilis in ATP-bound state with addition of EDTA and EGTA, vertical C2 symmetry axis | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Ktr system potassium uptake protein A, Ktr system potassium uptake protein B, ... | | Authors: | Chang, Y.K, Chiang, W.T, Hu, N.J, Tsai, M.D. | | Deposit date: | 2023-12-27 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Structural basis and synergism of ATP and Na + activation in bacterial K + uptake system KtrAB.
Nat Commun, 15, 2024
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8VIS
 | | Human TMPRSS11D complexed with a disulfide-linked autoinhibitory DDDDK peptide | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Fraser, B.J, Dong, A, Ilyassov, O, Kenney, T, Li, Y.Y, Seitova, A, Li, Y, Hejazi, Z, Edwards, A, Benard, F, Arrowsmith, C. | | Deposit date: | 2024-01-05 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Human TMPRSS11D complexed with a disulfide-linked autoinhibitory DDDDK peptide
To Be Published
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9ATS
 | | Crystal structure of MERS 3CL protease in complex with a methylcyclohexyl 2-pyrrolidone inhibitor (S-enantiomer) | | Descriptor: | (1S,2S)-2-{[N-({[(2S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2024-02-27 | | Release date: | 2024-07-10 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 67, 2024
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8XU5
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8VBV
 | | Structure of the monofunctional Staphylococcus aureus PBP1 in its beta-lactam (Cephalexin) inhibited form | | Descriptor: | (2S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Penicillin-binding protein 1 | | Authors: | Bon, C.G, Lee, J, Caveney, N.A, Strynadka, N.C.J. | | Deposit date: | 2023-12-12 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and kinetic analysis of the monofunctional Staphylococcus aureus PBP1.
J.Struct.Biol., 216, 2024
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8WOM
 | | Structure of the wild-type Arabidopsis ABCB19 in the brassinolide-bound state | | Descriptor: | ABC transporter B family member 19, Brassinolide | | Authors: | Ying, W, Wei, H, Liu, X, Sun, L. | | Deposit date: | 2023-10-07 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure and function of the Arabidopsis ABC transporter ABCB19 in brassinosteroid export.
Science, 383, 2024
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