8RU8
 
 | | A crystal form of a human CDK2-CDK7 chimera | | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 2 | | Authors: | Mukherjee, M, Cleasby, A. | | Deposit date: | 2024-01-30 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 2024
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8R9S
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Cyclin-dependent kinase 7, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Mukherjee, M, Cleasby, A. | | Deposit date: | 2023-11-30 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 2024
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5K03
 | | Crystal Structure of COMT in complex with 2,6-dimethyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyridine | | Descriptor: | 2,6-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine, Catechol O-methyltransferase, POTASSIUM ION | | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | Deposit date: | 2016-05-17 | | Release date: | 2016-09-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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7ALL
 | | A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT4683-S1_4) | | Descriptor: | Arylsulfatase, CALCIUM ION, IODIDE ION, ... | | Authors: | Sofia de Jesus Vaz Luis, A, Martens, E.C, Basle, A, Cartmell, A. | | Deposit date: | 2020-10-06 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
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8R9A
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 7, DI(HYDROXYETHYL)ETHER | | Authors: | Mukherjee, M, Cleasby, A. | | Deposit date: | 2023-11-30 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 2024
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6BKN
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6CF7
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6BR5
 | | N2 neuraminidase in complex with a novel antiviral compound | | Descriptor: | (1R)-4-acetamido-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Li, L.H, Ve, T, Pascolutti, M, Hadhazi, A, Bailly, B, Thomson, R.J, Gao, G.F, von Itzstein, M. | | Deposit date: | 2017-11-30 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.0379076 Å) | | Cite: | A Sulfonozanamivir Analogue Has Potent Anti-influenza Virus Activity.
ChemMedChem, 13, 2018
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6BKR
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6BKS
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6BR6
 | | N2 neuraminidase in complex with a novel antiviral compound | | Descriptor: | (1R)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Li, L.H, Ve, T, Pascolutti, M, Hadhazi, A, Bailly, B, Thomson, R.J, Gao, G.F, von Itzstein, M. | | Deposit date: | 2017-11-30 | | Release date: | 2018-03-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.03983879 Å) | | Cite: | A Sulfonozanamivir Analogue Has Potent Anti-influenza Virus Activity.
ChemMedChem, 13, 2018
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6BKO
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6BKP
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6BKT
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5FRD
 | | Structure of a thermophilic esterase | | Descriptor: | CARBOXYLESTERASE (EST-2), CHLORIDE ION, CITRATE ANION, ... | | Authors: | Sayer, C, Finnigan, W, Isupov, M.N, Levisson, M, Kengen, S.W.M, van der Oost, J, Harmer, N, Littlechild, J.A. | | Deposit date: | 2015-12-17 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and Biochemical Characterisation of Archaeoglobus Fulgidus Esterase Reveals a Bound Coa Molecule in the Vicinity of the Active Site.
Sci.Rep., 6, 2016
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3HTP
 | | the hemagglutinin structure of an avian H1N1 influenza A virus in complex with LSTa | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Wang, G, Li, A, Zhang, Q, Wu, C, Zhang, R, Cai, Q, Song, W, Yuen, K.-Y. | | Deposit date: | 2009-06-12 | | Release date: | 2009-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | The hemagglutinin structure of an avian H1N1 influenza A virus
Virology, 392, 2009
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3HTQ
 | | the hemagglutinin structure of an avian H1N1 influenza A virus in complex with LSTc | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Wang, G, Li, A, Zhang, Q, Wu, C, Zhang, R, Cai, Q, Song, W, Yuen, K.-Y. | | Deposit date: | 2009-06-12 | | Release date: | 2009-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.955 Å) | | Cite: | The hemagglutinin structure of an avian H1N1 influenza A virus
Virology, 392, 2009
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3HTT
 | | The hemagglutinin structure of an avian H1N1 influenza A virus in complex with 2,3-sialyllactose | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Wang, G, Li, A, Zhang, Q, Wu, C, Zhang, R, Cai, Q, Song, W, Yuen, K.-Y. | | Deposit date: | 2009-06-12 | | Release date: | 2009-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | The hemagglutinin structure of an avian H1N1 influenza A virus
Virology, 392, 2009
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1OH1
 | | Solution structure of staphostatin A form Staphylococcus aureus confirms the discovery of a novel class of cysteine proteinase inhibitors. | | Descriptor: | STAPHOSTATIN A | | Authors: | Dubin, G, Popowicz, G, Krajewski, M, Stec, J, Bochtler, M, Potempa, J, Dubin, A, Holak, T.A. | | Deposit date: | 2003-05-21 | | Release date: | 2003-11-20 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | A Novel Class of Cysteine Protease Inhibitors: Solution Structure of Staphostatin a from Staphylococcus Aureus
Biochemistry, 42, 2003
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3HTO
 | | the hemagglutinin structure of an avian H1N1 influenza A virus | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Wang, G, Li, A, Zhang, Q, Wu, C, Zhang, R, Cai, Q, Song, W, Yuen, K.-Y. | | Deposit date: | 2009-06-12 | | Release date: | 2009-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | The hemagglutinin structure of an avian H1N1 influenza A virus
Virology, 392, 2009
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3ERA
 | | RECOMBINANT ERABUTOXIN A (S8T MUTANT) | | Descriptor: | ERABUTOXIN A, THIOCYANATE ION | | Authors: | Gaucher, J.F, Menez, R, Arnoux, B, Menez, A, Ducruix, A. | | Deposit date: | 1997-06-25 | | Release date: | 1997-12-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High resolution x-ray analysis of two mutants of a curaremimetic snake toxin
Eur.J.Biochem., 267, 2000
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3NUH
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3O9S
 | | Effector domain of influenza A/PR/8/34 NS1 | | Descriptor: | Nonstructural protein 1 | | Authors: | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | | Deposit date: | 2010-08-04 | | Release date: | 2011-05-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain.
Plos One, 6, 2011
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3O9R
 | | Effector domain of NS1 from influenza A/PR/8/34 containing a W187A mutation | | Descriptor: | Nonstructural protein 1 | | Authors: | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | | Deposit date: | 2010-08-04 | | Release date: | 2011-05-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain.
Plos One, 6, 2011
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3O9Q
 | | Effector domain of NS1 from A/PR/8/34 containing a W187A mutation | | Descriptor: | Nonstructural protein 1 | | Authors: | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | | Deposit date: | 2010-08-04 | | Release date: | 2011-05-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain.
Plos One, 6, 2011
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