3E87
 
 | | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | | Descriptor: | Glycogen synthase kinase-3 beta peptide, N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide, RAC-beta serine/threonine-protein kinase | | Authors: | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | | Deposit date: | 2008-08-19 | | Release date: | 2008-10-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
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3E8D
 | | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | | Descriptor: | 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase | | Authors: | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | | Deposit date: | 2008-08-19 | | Release date: | 2008-10-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
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3E8E
 | | Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors | | Descriptor: | 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, PKI inhibitor peptide, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | | Deposit date: | 2008-08-19 | | Release date: | 2008-11-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
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2I47
 | | Crystal structure of catalytic domain of TACE with inhibitor | | Descriptor: | 4-({[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}METHYL)-1-[(3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL]-N-HYDROXYPIPERIDINE-4-CARBOXAMIDE, ADAM 17, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | | Authors: | Xu, W, Condon, J.S, Lovering, F.E. | | Deposit date: | 2006-08-21 | | Release date: | 2006-12-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of potent and selective TACE inhibitors via the S1 pocket.
Bioorg.Med.Chem.Lett., 17, 2007
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8SVF
 | | BAP1/ASXL1 bound to the H2AK119Ub Nucleosome | | Descriptor: | DNA/RNA (187-MER), DNA/RNA (327-MER), Histone H2A type 1, ... | | Authors: | Thomas, J.F, Valencia-Sanchez, M.I, Armache, K.-J. | | Deposit date: | 2023-05-16 | | Release date: | 2023-08-30 | | Last modified: | 2024-11-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis of histone H2A lysine 119 deubiquitination by Polycomb repressive deubiquitinase BAP1/ASXL1.
Sci Adv, 9, 2023
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8HRU
 | | Cryo-EM structure of ACE2 | | Descriptor: | Angiotensin-converting enzyme 2 | | Authors: | Xu, J, Liu, N, Wang, H.W. | | Deposit date: | 2022-12-16 | | Release date: | 2023-12-20 | | Last modified: | 2025-01-01 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Self-assembled superstructure alleviates air-water interface effect in cryo-EM.
Nat Commun, 15, 2024
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8HRI
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8HRK
 | | SARS-CoV-2 Delta S-RBD-ACE2 complex | | Descriptor: | Processed angiotensin-converting enzyme 2, Spike protein S1 | | Authors: | Xu, J, Meng, F, Liu, N, Wang, H.W. | | Deposit date: | 2022-12-15 | | Release date: | 2023-12-20 | | Last modified: | 2025-01-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Self-assembled superstructure alleviates air-water interface effect in cryo-EM.
Nat Commun, 15, 2024
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8HRM
 | | Cryo-EM structure of streptavidin | | Descriptor: | Streptavidin | | Authors: | Xu, J, Liu, N, Wang, H.W. | | Deposit date: | 2022-12-15 | | Release date: | 2023-12-20 | | Last modified: | 2025-01-01 | | Method: | ELECTRON MICROSCOPY (2.56 Å) | | Cite: | Self-assembled superstructure alleviates air-water interface effect in cryo-EM.
Nat Commun, 15, 2024
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8HRN
 | | Cryo-EM structure of ACE2 | | Descriptor: | Angiotensin-converting enzyme 2 | | Authors: | Xu, J, Liu, N, Wang, H.W. | | Deposit date: | 2022-12-15 | | Release date: | 2023-12-20 | | Last modified: | 2025-01-01 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Self-assembled superstructure alleviates air-water interface effect in cryo-EM.
Nat Commun, 15, 2024
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8HRL
 | | SARS-CoV-2 Delta S-RBD-ACE2 | | Descriptor: | Processed angiotensin-converting enzyme 2, Spike protein S1 | | Authors: | Xu, J, Meng, F, Liu, N, Wang, H.W. | | Deposit date: | 2022-12-15 | | Release date: | 2023-12-20 | | Last modified: | 2025-01-01 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Self-assembled superstructure alleviates air-water interface effect in cryo-EM.
Nat Commun, 15, 2024
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8HRJ
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3R1B
 | | Open crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene | | Descriptor: | (4-tert-butylphenyl)acetaldehyde, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | | Authors: | Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R. | | Deposit date: | 2011-03-09 | | Release date: | 2011-05-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity.
Biochemistry, 50, 2011
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3R1A
 | | Closed crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene | | Descriptor: | (4-tert-butylphenyl)acetaldehyde, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R. | | Deposit date: | 2011-03-09 | | Release date: | 2011-05-11 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity.
Biochemistry, 50, 2011
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5GY3
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9M0E
 | | Enhancing the synthesis efficiency of galacto-oligosaccharides of a beta-galactosidase from Paenibacillus barengoltzii by engineering the active and distal sites | | Descriptor: | Beta-galactosidase | | Authors: | Yu, H.Y, Wang, Y.L, Yang, Z.S, Liu, X, Xin, F.J. | | Deposit date: | 2025-02-24 | | Release date: | 2025-04-23 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Enhancing the synthesis efficiency of galacto-oligosaccharides of a beta-galactosidase from Paenibacillus barengoltzii by engineering the active and distal sites.
Food Chem, 483, 2025
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7FGD
 | | A naturally-occurring neuraminidase-inhibitors-resistant NA from asiatic toad influenza B-like virus | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, toad NA (OSE) | | Authors: | Chai, Y, Wu, Y, Gao, F. | | Deposit date: | 2021-07-26 | | Release date: | 2022-08-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7FGC
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7FGB
 | | A naturally-occurring neuraminidase-inhibitors-resistant NA from asiatic toad influenza B-like virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, SULFATE ION, ... | | Authors: | Chai, Y, Wu, Y, Gao, F. | | Deposit date: | 2021-07-26 | | Release date: | 2022-08-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7FGE
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7KWU
 | | Crystal Structure of HIV-1 RT in Complex with 16c (K07-15) | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide, MAGNESIUM ION, ... | | Authors: | Ruiz, F.X, Arnold, E. | | Deposit date: | 2020-12-02 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | 2,4,5-Trisubstituted Pyrimidines as Potent HIV-1 NNRTIs: Rational Design, Synthesis, Activity Evaluation, and Crystallographic Studies.
J.Med.Chem., 64, 2021
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8I4U
 | | Cryo-EM structure of 5-subunit Smc5/6 hinge region | | Descriptor: | E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6 | | Authors: | Qian, L, Jun, Z, Xiang, Z, Wang, Z, Tong, C, Duo, J, Zhenguo, C, Wang, L. | | Deposit date: | 2023-01-21 | | Release date: | 2024-06-26 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (6.73 Å) | | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
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8I4V
 | | Cryo-EM structure of 5-subunit Smc5/6 arm region | | Descriptor: | DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, ... | | Authors: | Qian, L, Jun, Z, Xiang, Z, Cheng, T, Zhaoning, W, Zhenguo, C, Wang, L. | | Deposit date: | 2023-01-21 | | Release date: | 2024-06-26 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (5.97 Å) | | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
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8I13
 | | Cryo-EM structure of 6-subunit Smc5/6 | | Descriptor: | MMS21 isoform 1, NSE3 isoform 1, Non-structural maintenance of chromosomes element 1 homolog, ... | | Authors: | Qian, L, Jun, Z, Xiang, Z, Cheng, T, Zhaoning, W, Duo, J, Zhenguo, C, Wang, L. | | Deposit date: | 2023-01-12 | | Release date: | 2024-06-26 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
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8I4X
 | | Cryo-EM structure of 5-subunit Smc5/6 | | Descriptor: | E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 5, Nse6, ... | | Authors: | Qian, L, Jun, Z, Xiang, Z, Zhaoning, W, Tong, C, Duo, J, Zhenguo, C, Wang, L. | | Deposit date: | 2023-01-21 | | Release date: | 2024-06-26 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (8.5 Å) | | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
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