4UBD
 
 | | Crystal structure of a neutralizing human monoclonal antibody with 1968 H3 HA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | | Authors: | Shore, D.A, Yang, H, Cho, M, Donis, R.O, Stevens, J. | | Deposit date: | 2014-08-12 | | Release date: | 2015-06-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | A potent broad-spectrum protective human monoclonal antibody crosslinking two haemagglutinin monomers of influenza A virus.
Nat Commun, 6, 2015
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8WZQ
 | | Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with CCF0058981 | | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5 | | Authors: | Zou, X.F, Jiang, H.H, Zhou, X.L, Zhang, J, Li, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981.
Biochem.Biophys.Res.Commun., 692, 2024
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8WZP
 | | Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with CCF0058981 | | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5 | | Authors: | Jiang, H.H, Zou, X.F, Zhou, X.L, Zhang, J, Li, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981.
Biochem.Biophys.Res.Commun., 692, 2024
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8XFM
 | | The Crystal Structure of MNK2 from Biortus. | | Descriptor: | 1,2-ETHANEDIOL, 5-(3-azanyl-1~{H}-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one, MAP kinase-interacting serine/threonine-protein kinase 2, ... | | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. | | Deposit date: | 2023-12-14 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Crystal Structure of MNK2 from Biortus.
To Be Published
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8XFL
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8X5M
 | | The Crystal Structure of JNK1 from Biortus. | | Descriptor: | 1,2-ETHANEDIOL, 3-[4-(dimethylamino)butanoylamino]-~{N}-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide, GLYCEROL, ... | | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. | | Deposit date: | 2023-11-17 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Crystal Structure of JNK1 from Biortus.
To Be Published
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4TW9
 | | Difluoro-dioxolo-benzoimidazol-benzamides as potent inhibitors of CK1delta and epsilon with nanomolar inhibitory activity on cancer cell proliferation | | Descriptor: | CHLORIDE ION, Casein kinase I isoform delta, N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-{[2-(trifluoromethoxy)benzoyl]amino}-1,3-thiazole-4-carboxamide, ... | | Authors: | Richter, J, Bischof, J, Zaja, M, Kohlhof, H, Othersen, O, Vitt, D, Alscher, V, Pospiech, I, Garcia-Reyes, B, Berg, S, Leban, J, Knippschild, U. | | Deposit date: | 2014-06-30 | | Release date: | 2014-07-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Difluoro-dioxolo-benzoimidazol-benzamides As Potent Inhibitors of CK1 delta and epsilon with Nanomolar Inhibitory Activity on Cancer Cell Proliferation.
J.Med.Chem., 57, 2014
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4UC0
 | | Crystal Structure Of a purine nucleoside phosphorylase (PSI-NYSGRC-029736) from Agrobacterium vitis | | Descriptor: | HYPOXANTHINE, Purine nucleoside phosphorylase | | Authors: | Cameron, S.A, Sampathkumar, P, Ramagopal, U.A, Attonito, J, Ahmed, M, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Glenn, A.S, Hammonds, J, Hillerich, B, Love, J.D, Seidel, R, Stead, M, Toro, R, Wasserman, S.R, Schramm, V.L, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-08-13 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure Of a purine nucleoside phosphorylase (PSI-NYSGRC-029736) from Agrobacterium vitis
To be published
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4U7P
 | | Crystal structure of DNMT3A-DNMT3L complex | | Descriptor: | DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Wang, L, Guo, X, Li, J, Xiao, J, Yin, X, He, S, Wang, J, Xu, Y. | | Deposit date: | 2014-07-31 | | Release date: | 2014-11-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.821 Å) | | Cite: | Structural insight into autoinhibition and histone H3-induced activation of DNMT3A
Nature, 517, 2015
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4TWE
 | | Structure of ligand-free N-acetylated-alpha-linked-acidic-dipeptidase like protein (NAALADaseL) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Tykvart, J, Barinka, C, Lubkowski, J, Sacha, P, Konvalinka, J. | | Deposit date: | 2014-06-30 | | Release date: | 2015-03-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and biochemical characterization of a novel aminopeptidase from human intestine.
J.Biol.Chem., 290, 2015
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4U7T
 | | Crystal structure of DNMT3A-DNMT3L in complex with histone H3 | | Descriptor: | DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Guo, X, Wang, L, Yin, X, Li, J, Xiao, J, He, S, Wang, J, Xu, Y. | | Deposit date: | 2014-07-31 | | Release date: | 2014-11-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural insight into autoinhibition and histone H3-induced activation of DNMT3A
Nature, 517, 2015
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4UJE
 | | Regulation of the mammalian elongation cycle by 40S subunit rolling: a eukaryotic-specific ribosome rearrangement | | Descriptor: | 18S Ribosomal RNA, 28S Ribosomal RNA, 40S RIBOSOMAL PROTEIN S10, ... | | Authors: | Budkevich, T.V, Giesebrecht, J, Behrmann, E, Loerke, J, Ramrath, D.J.F, Mielke, T, Ismer, J, Hildebrand, P, Tung, C.-S, Nierhaus, K.H, Sanbonmatsu, K.Y, Spahn, C.M.T. | | Deposit date: | 2014-04-05 | | Release date: | 2014-07-16 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Regulation of the Mammalian Elongation Cycle by Subunit Rolling: A Eukaryotic-Specific Ribosome Rearrangement.
Cell(Cambridge,Mass.), 158, 2014
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4UAG
 | | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE | | Descriptor: | SULFATE ION, UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, UNKNOWN ATOM OR ION, ... | | Authors: | Bertrand, J, Auger, G, Martin, L, Fanchon, E, Blanot, D, Le Beller, D, Van Heijenoort, J, Dideberg, O. | | Deposit date: | 1999-03-09 | | Release date: | 2000-03-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Determination of the MurD mechanism through crystallographic analysis of enzyme complexes.
J.Mol.Biol., 289, 1999
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4WA2
 | | The crystal structure of hemagglutinin from a H3N8 influenza virus isolated from New England harbor seals in complex with 3'SLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J. | | Deposit date: | 2014-08-28 | | Release date: | 2015-01-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
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4WA1
 | | The crystal structure of hemagglutinin from a H3N8 influenza virus isolated from New England harbor seals | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J. | | Deposit date: | 2014-08-28 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
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4UX5
 | | Structure of DNA complex of PCG2 | | Descriptor: | 5'-D(*CP*AP*AP*TP*GP*AP*CP*GP*CP*GP*TP*AP*AP*GP)-3', 5'-D(*CP*TP*TP*AP*CP*GP*CP*GP*TP*CP*AP*TP*TP*GP)-3', TRANSCRIPTION FACTOR MBP1 | | Authors: | Liu, J, Huang, J, Zhao, Y, Liu, H, Wang, D, Yang, J, Zhao, W, Taylor, I.A, Peng, Y. | | Deposit date: | 2014-08-19 | | Release date: | 2015-01-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of DNA Recognition by Pcg2 Reveals a Novel DNA Binding Mode for Winged Helix-Turn-Helix Domains.
Nucleic Acids Res., 43, 2015
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4UNR
 | | Mtb TMK in complex with compound 23 | | Descriptor: | 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase | | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | Deposit date: | 2014-05-30 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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1DYI
 | | ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS | | Descriptor: | CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ... | | Authors: | Reyes, V.M, Kraut, J. | | Deposit date: | 1994-10-26 | | Release date: | 1995-06-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Isomorphous crystal structures of Escherichia coli dihydrofolate reductase complexed with folate, 5-deazafolate, and 5,10-dideazatetrahydrofolate: mechanistic implications.
Biochemistry, 34, 1995
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1DYJ
 | | ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS | | Descriptor: | 5,10-DIDEAZATETRAHYDROFOLIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Reyes, V.M, Kraut, J. | | Deposit date: | 1994-10-26 | | Release date: | 1995-06-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Isomorphous crystal structures of Escherichia coli dihydrofolate reductase complexed with folate, 5-deazafolate, and 5,10-dideazatetrahydrofolate: mechanistic implications.
Biochemistry, 34, 1995
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4UNQ
 | | Mtb TMK in complex with compound 36 | | Descriptor: | 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE | | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | Deposit date: | 2014-05-30 | | Release date: | 2015-06-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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1DYH
 | | ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS | | Descriptor: | 5-DEAZAFOLIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Reyes, V.M, Kraut, J. | | Deposit date: | 1994-10-26 | | Release date: | 1995-06-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Isomorphous crystal structures of Escherichia coli dihydrofolate reductase complexed with folate, 5-deazafolate, and 5,10-dideazatetrahydrofolate: mechanistic implications.
Biochemistry, 34, 1995
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4UNP
 | | Mtb TMK in complex with compound 34 | | Descriptor: | 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE | | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | Deposit date: | 2014-05-30 | | Release date: | 2015-01-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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4UNN
 | | Mtb TMK in complex with compound 8 | | Descriptor: | 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE | | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | Deposit date: | 2014-05-29 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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4UNS
 | | Mtb TMK in complex with compound 40 | | Descriptor: | N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE | | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | Deposit date: | 2014-05-30 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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4V6K
 | | Structural insights into cognate vs. near-cognate discrimination during decoding. | | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Agirrezabala, X, Schreiner, E, Trabuco, L.G, Lei, J, Ortiz-Meoz, R.F, Schulten, K, Green, R, Frank, J. | | Deposit date: | 2011-01-07 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (8.25 Å) | | Cite: | Structural insights into cognate versus near-cognate discrimination during decoding.
Embo J., 30, 2011
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