4GRC
 
 | | Crystal structure of DyP-type peroxidase (SCO2276) from Streptomyces coelicolor | | Descriptor: | CALCIUM ION, HYDROGEN PEROXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Lukk, T, Hetta, A.M.A, Jones, A, Solbiati, J, Majumdar, S, Cronan, J.E, Gerlt, J.A, Nair, S.K. | | Deposit date: | 2012-08-24 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | DyP-type peroxidases from Stretptomyces and Thermobifida can modify organosolv lignin.
To be Published
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4GT2
 | | Crystal structure of DyP-type peroxidase (SCO3963) from Streptomyces coelicolor | | Descriptor: | ACETATE ION, GLYCEROL, OXYGEN MOLECULE, ... | | Authors: | Lukk, T, Hetta, A.M.A, Jones, A, Solbiati, J, Majumdar, S, Cronan, J.E, Gerlt, J.A, Nair, S.K. | | Deposit date: | 2012-08-28 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | DyP-type peroxidases from Stretptomyces and Thermobifida can modify organosolv lignin.
To be Published
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4H6V
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7ODL
 | | SARS CoV-2 Spike protein, Bristol UK Deletion variant, Closed conformation, C1 symmetry | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein | | Authors: | Toelzer, C, Gupta, K, Yadav, S.K.N, Borucu, U, Schaffitzel, C, Berger, I. | | Deposit date: | 2021-04-29 | | Release date: | 2022-01-26 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2.
Nat Commun, 13, 2022
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7OD3
 | | SARS CoV-2 Spike protein, Bristol UK Deletion variant, Closed conformation, C3 symmetry | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein | | Authors: | Toelzer, C, Gupta, K, Yadav, S.K.N, Borucu, U, Schaffitzel, C, Berger, I. | | Deposit date: | 2021-04-28 | | Release date: | 2022-01-26 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2.
Nat Commun, 13, 2022
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7OY6
 | | Crystal structure of human DYRK1A in complex with ARN25068 | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine | | Authors: | Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Ortega, J, Girotto, S, Cavalli, A. | | Deposit date: | 2021-06-23 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Eur.J.Med.Chem., 229, 2022
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7OY5
 | | Crystal structure of GSK3Beta in complex with ARN25068 | | Descriptor: | CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine | | Authors: | Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Giabbai, B, Storici, P, Ortega, J, Girotto, S, Cavalli, A. | | Deposit date: | 2021-06-23 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Eur.J.Med.Chem., 229, 2022
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7NWI
 | | Mammalian pre-termination 80S ribosome with Empty-A site bound by Blasticidin S | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA+BlaS, 40S ribosomal protein S11, ... | | Authors: | Powers, K.T, Yadav, S.K.N, Bufton, J.C, Schaffitzel, C. | | Deposit date: | 2021-03-16 | | Release date: | 2021-07-07 | | Last modified: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Blasticidin S inhibits mammalian translation and enhances production of protein encoded by nonsense mRNA.
Nucleic Acids Res., 49, 2021
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7NWG
 | | Mammalian pre-termination 80S ribosome with Hybrid P/E- and A/P-site tRNA's bound by Blasticidin S. | | Descriptor: | 18S Ribosomal RNA, 28S Ribosomal RNA, 40S ribosomal protein S10, ... | | Authors: | Powers, K.T, Yadav, S.K.N, Bufton, J.C, Schaffitzel, C. | | Deposit date: | 2021-03-16 | | Release date: | 2021-07-07 | | Last modified: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Blasticidin S inhibits mammalian translation and enhances production of protein encoded by nonsense mRNA.
Nucleic Acids Res., 49, 2021
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7NWH
 | | Mammalian pre-termination 80S ribosome with eRF1 and eRF3 bound by Blasticidin S. | | Descriptor: | 18S Ribosomal RNA, 28S Ribosomal RNA, 40S ribosomal protein S10, ... | | Authors: | Powers, K.T, Yadav, S.K.N, Bufton, J.C, Schaffitzel, C. | | Deposit date: | 2021-03-16 | | Release date: | 2021-07-07 | | Last modified: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Blasticidin S inhibits mammalian translation and enhances production of protein encoded by nonsense mRNA.
Nucleic Acids Res., 49, 2021
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5X8D
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5X8K
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5X8B
 | | Crystal structure of ATP-TMP and ADP bound thymidylate kinase from Thermus thermophilus HB8 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Chaudhary, S.K, Jeyakanthan, J, Sekar, K. | | Deposit date: | 2017-03-01 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
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5X8V
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5X98
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5VOE
 | | DesGla-XaS195A Bound to Aptamer 11F7t | | Descriptor: | Aptamer 11F7t (36-MER), CALCIUM ION, Coagulation factor X, ... | | Authors: | Gunaratne, R, Kumar, S, Frederiksen, J.W, Stayrook, S, Lohrmann, J.L, Perry, K, Chabata, C.V, Thalji, N.K, Ho, M.D, Arepally, G, Camire, R.M, Krishnaswamy, S.K, Sullenger, B.A. | | Deposit date: | 2017-05-02 | | Release date: | 2018-06-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass.
Nat. Biotechnol., 36, 2018
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5X86
 | | Crystal structure of TMP bound thymidylate kinase from thermus thermophilus HB8 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ... | | Authors: | Chaudhary, S.K, Jeyakanthan, J, Sekar, K. | | Deposit date: | 2017-03-01 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
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5XAL
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5XAK
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5W6O
 | | Choline Kinase Alpha in Complex with TCD-717 | | Descriptor: | 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Kall, S.K, Lavie, A. | | Deposit date: | 2017-06-16 | | Release date: | 2018-02-14 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Identification of a Unique Inhibitor-Binding Site on Choline Kinase alpha.
Biochemistry, 57, 2018
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7ZH2
 | | SARS CoV Spike protein, Closed C1 conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | | Authors: | Toelzer, C, Gupta, K, Yadav, S.K.N, Buzas, D, Borucu, U, Schaffitzel, C, Berger, I. | | Deposit date: | 2022-04-05 | | Release date: | 2023-02-15 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | The free fatty acid-binding pocket is a conserved hallmark in pathogenic beta-coronavirus spike proteins from SARS-CoV to Omicron.
Sci Adv, 8, 2022
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6ZU0
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5X8A
 | | Crystal structure of ATP bound thymidylate kinase from thermus thermophilus HB8 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Chaudhary, S.K, Jeyakanthan, J, Sekar, K. | | Deposit date: | 2017-03-01 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
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5WA4
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2BMD
 | | high resolution structure of GDP-bound human Rab4a | | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, RAS-RELATED PROTEIN RAB4A | | Authors: | Scheidig, A.J, Huber, S.K. | | Deposit date: | 2005-03-13 | | Release date: | 2005-04-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High Resolution Crystal Structures of Human Rab4A in its Active and Inactive Conformations.
FEBS Lett., 579, 2005
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