8ENL
 
 | | CryoEM structure of the high pH turnover-inactivated nitrogenase MoFe-protein | | Descriptor: | CHAPSO, FE (III) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Warmack, R.A, Maggiolo, A.O, Rees, D.C. | | Deposit date: | 2022-09-30 | | Release date: | 2023-03-08 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.37 Å) | | Cite: | Structural consequences of turnover-induced homocitrate loss in nitrogenase.
Nat Commun, 14, 2023
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7AKA
 | | Structure of DYRK1A in complex with compound 54 | | Descriptor: | 4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | | Deposit date: | 2020-09-30 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
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8ENN
 | | Homocitrate-deficient nitrogenase MoFe-protein from Azotobacter vinelandii nifV knockout | | Descriptor: | CHAPSO, CITRIC ACID, FE (III) ION, ... | | Authors: | Warmack, R.A, Maggiolo, A.O, Rees, D.C. | | Deposit date: | 2022-09-30 | | Release date: | 2023-03-08 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | Structural consequences of turnover-induced homocitrate loss in nitrogenase.
Nat Commun, 14, 2023
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7AK2
 | | Structure of DYRK1A in complex with compound 53 | | Descriptor: | 4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | | Deposit date: | 2020-09-29 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
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7AJV
 | | Structure of DYRK1A in complex with compound 38 | | Descriptor: | 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | | Deposit date: | 2020-09-29 | | Release date: | 2021-05-26 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
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7AIO
 | | Structure of Human Potassium Chloride Transporter KCC3 S45D/T940D/T997D in NaCl (Subclass) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-09-28 | | Release date: | 2021-06-02 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
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8K3O
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8ENM
 | | CryoEM structure of the high pH nitrogenase MoFe-protein under non-turnover conditions | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Warmack, R.A, Maggiolo, A.O, Rees, D.C. | | Deposit date: | 2022-09-30 | | Release date: | 2023-03-08 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.14 Å) | | Cite: | Structural consequences of turnover-induced homocitrate loss in nitrogenase.
Nat Commun, 14, 2023
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7AMZ
 | | Crystal structure of human Butyrylcholinesterase in complex with N-((2S,3R)-4-((2,2-dimethylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl)-2,2-diphenylacetamide | | Descriptor: | 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, Pasieka, A, Panek, D, Wieckowska, A. | | Deposit date: | 2020-10-10 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of multifunctional anti-Alzheimer's agents with a unique mechanism of action including inhibition of the enzyme butyrylcholinesterase and gamma-aminobutyric acid transporters.
Eur.J.Med.Chem., 218, 2021
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8K4E
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7AIN
 | | Structure of Human Potassium Chloride Transporter KCC3 S45D/T940D/T997D in NaCl (Reference Map) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-09-28 | | Release date: | 2021-06-02 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
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6VND
 | | Quaternary Complex of human dihydroorotate dehydrogenase (DHODH) with flavin mononucleotide (FMN), orotic acid and AG-636 | | Descriptor: | 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Padyana, A, Jin, L. | | Deposit date: | 2020-01-29 | | Release date: | 2020-11-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Selective Vulnerability to Pyrimidine Starvation in Hematologic Malignancies Revealed by AG-636, a Novel Clinical-Stage Inhibitor of Dihydroorotate Dehydrogenase.
Mol.Cancer Ther., 19, 2020
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7AIP
 | | Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Reference Map) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ebenhoch, R, Chi, G, Man, H, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Liko, I, Tehan, B.G, Almeida, F.G, Elkins, J, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Tang, H, Robinson, C.V, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-09-28 | | Release date: | 2021-06-02 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
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8ENO
 | | Homocitrate-deficient nitrogenase MoFe-protein from A. vinelandii nifV knockout in complex with NafT | | Descriptor: | CHAPSO, CITRIC ACID, FE (III) ION, ... | | Authors: | Warmack, R.A, Maggiolo, A.O, Rees, D.C. | | Deposit date: | 2022-09-30 | | Release date: | 2023-03-08 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Structural consequences of turnover-induced homocitrate loss in nitrogenase.
Nat Commun, 14, 2023
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8KAB
 | | Mycobacterium smegmatis 50S ribosomal subunit-HflX complex | | Descriptor: | 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ... | | Authors: | Srinivasan, K, Banerjee, A, Sengupta, J. | | Deposit date: | 2023-08-02 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures reveal the molecular mechanism of HflX-mediated erythromycin resistance in mycobacteria.
Structure, 32, 2024
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7ANE
 | | Leishmania Major mitochondrial ribosome | | Descriptor: | 30S Ribosomal protein S17-like protein, 50S ribosomal protein L13-like protein, AKAP7_NLS domain-containing protein, ... | | Authors: | Soufari, H, Waltz, F, Parrot, C, Bochler, A, Hashem, Y. | | Deposit date: | 2020-10-11 | | Release date: | 2021-06-23 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of the mature kinetoplastids mitoribosome and insights into its large subunit biogenesis.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7AFD
 | | Bacterial 30S ribosomal subunit assembly complex state A (head domain) | | Descriptor: | 16SrRNA of the head domain (residue C931 to G1386), 30S ribosomal protein S10, 30S ribosomal protein S13, ... | | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S. | | Deposit date: | 2020-09-19 | | Release date: | 2021-07-07 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
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8EPU
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5ND9
 | | Hibernating ribosome from Staphylococcus aureus (Rotated state) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Khusainov, I, Vicens, Q, Ayupov, R, Usachev, K, Myasnikov, A, Simonetti, A, Validov, S, Kieffer, B, Yusupova, G, Yusupov, M, Hashem, Y. | | Deposit date: | 2017-03-07 | | Release date: | 2017-06-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structures and dynamics of hibernating ribosomes from Staphylococcus aureus mediated by intermolecular interactions of HPF.
EMBO J., 36, 2017
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7AH8
 | | NF-Y bound to suramin inhibitor | | Descriptor: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, CITRATE ANION, GLYCEROL, ... | | Authors: | Nardone, V, Chaves-Sanjuan, A, Lapi, M, Nardini, M. | | Deposit date: | 2020-09-24 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.70001364 Å) | | Cite: | Structural Basis of Inhibition of the Pioneer Transcription Factor NF-Y by Suramin.
Cells, 9, 2020
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7AT5
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2 | | Descriptor: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, Casein kinase II subunit alpha, ... | | Authors: | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | Deposit date: | 2020-10-29 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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7APO
 | | Crystal structure of RARalpha ligand binding domain in complex with a fragment of the TIF2 coactivator | | Descriptor: | 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, GLYCEROL, Nuclear receptor coactivator 2, ... | | Authors: | le Maire, A, Guee, L, Bourguet, W. | | Deposit date: | 2020-10-19 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR).
J.Mol.Biol., 433, 2021
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7AK9
 | | Structure of Salmonella TacT3 toxin bound to TacA3 antitoxin C-terminal peptide | | Descriptor: | ABC transporter, Acetyltransferase, DEPHOSPHO COENZYME A | | Authors: | Grabe, G.J, Morgan, R.M.L, Hare, S.A, Helaine, S. | | Deposit date: | 2020-09-30 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Auxiliary interfaces support the evolution of specific toxin-antitoxin pairing.
Nat.Chem.Biol., 17, 2021
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7AK7
 | | Structure of Salmonella TacT2 toxin bound to TacA2 antitoxin | | Descriptor: | ACETYL COENZYME *A, Acetyltransferase, CHLORIDE ION, ... | | Authors: | Grabe, G.J, Morgan, R.M.L, Hare, S.A, Helaine, S. | | Deposit date: | 2020-09-30 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Auxiliary interfaces support the evolution of specific toxin-antitoxin pairing.
Nat.Chem.Biol., 17, 2021
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7AK8
 | | Structure of Salmonella TacT1 toxin bound to TacA1 antitoxin C-terminal peptide | | Descriptor: | ACETYL COENZYME *A, GCN5 family acetyltransferase, GLYCEROL, ... | | Authors: | Grabe, G.J, Morgan, R.M.L, Helaine, S, Hare, S.A. | | Deposit date: | 2020-09-30 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Auxiliary interfaces support the evolution of specific toxin-antitoxin pairing.
Nat.Chem.Biol., 17, 2021
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