6TZ4
 
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6TZ5
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6TZA
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8T4P
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and di-glutamate AGF347 inhibitor | | Descriptor: | N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-gamma-glutamyl-L-glutamic acid, Serine hydroxymethyltransferase, ... | | Authors: | Katinas, J.M, Dann III, C.E. | | Deposit date: | 2023-06-09 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
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8T4O
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF347 inhibitor with no glutamate | | Descriptor: | 4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ... | | Authors: | Katinas, J.M, Dann III, C.E. | | Deposit date: | 2023-06-09 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
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8TLC
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and tri-glutamate AGF347 inhibitor | | Descriptor: | N-{4-[4-(2-amino-4-oxo-1,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-D-gamma-glutamyl-L-gamma-glutamyl-D-glutamic acid, Serine hydroxymethyltransferase, mitochondrial | | Authors: | Katinas, J.M, Dann III, C.E. | | Deposit date: | 2023-07-26 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
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4GW6
 | | HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor | | Descriptor: | (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid, ARSENIC, Gag-Pol polyprotein | | Authors: | Feng, L, Kvaratskhelia, M. | | Deposit date: | 2012-08-31 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors.
J.Biol.Chem., 288, 2013
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4GVM
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7T2Q
 | | PEGylated Calmodulin-1 (K148U) | | Descriptor: | CALCIUM ION, Calmodulin-1, MAGNESIUM ION, ... | | Authors: | Mackay, J.P, Payne, R.J, Patel, K, Dowman, L.J. | | Deposit date: | 2021-12-06 | | Release date: | 2022-10-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Site-selective photocatalytic functionalization of peptides and proteins at selenocysteine.
Nat Commun, 13, 2022
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7TO5
 | | HIV-1 wild type protease with GRL-05816A, with C-4 substituted cyclohexane-fused bis-tetrahydrofuran (Chf-THF) derivatives as P2-ligand [diastereomer 1] | | Descriptor: | (1R,3aS,4S,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | | Deposit date: | 2022-01-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Design, Synthesis and X-Ray Structural Studies of Potent HIV-1 Protease Inhibitors Containing C-4 Substituted Tricyclic Hexahydro-Furofuran Derivatives as P2 Ligands.
Chemmedchem, 17, 2022
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7TO6
 | | HIV-1 wild type protease with GRL-01717A, with C-4 substituted cyclohexane-fused bis-tetrahydrofuran (Chf-THF) derivatives as P2-ligand [diastereomer 2] | | Descriptor: | (1S,3aR,4R,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | | Deposit date: | 2022-01-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Design, Synthesis and X-Ray Structural Studies of Potent HIV-1 Protease Inhibitors Containing C-4 Substituted Tricyclic Hexahydro-Furofuran Derivatives as P2 Ligands.
Chemmedchem, 17, 2022
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4JLH
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4E51
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2M9U
 | | Solution NMR structure of the C-terminal domain (CTD) of Moloney murine leukemia virus integrase, Northeast Structural Genomics Target OR41A | | Descriptor: | Integrase p46 | | Authors: | Aiyer, S, Rossi, P, Schneider, W.M, Chander, A, Roth, M.J, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-06-19 | | Release date: | 2013-12-18 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Altering murine leukemia virus integration through disruption of the integrase and BET protein family interaction.
Nucleic Acids Res., 42, 2014
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5YHT
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5ZON
 | | Histidinol phosphate phosphatase from Mycobacterium tuberculosis | | Descriptor: | GLYCEROL, Histidinol-phosphatase, PHOSPHATE ION, ... | | Authors: | Jha, B, Kumar, D, Biswal, B.K. | | Deposit date: | 2018-04-13 | | Release date: | 2018-05-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Identification and structural characterization of a histidinol phosphate phosphatase from Mycobacterium tuberculosis
J. Biol. Chem., 293, 2018
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5DM4
 | | Crystal structure of the plantazolicin methyltransferase BpumL in complex with pentazolic desmethylPZN analog and SAH | | Descriptor: | 1-[(4S)-4-(4-{4-[4-(5,5'-dimethyl-2,4'-bi-1,3-oxazol-2'-yl)-1,3-thiazol-2-yl]-5-methyl-1,3-oxazol-2-yl}-1,3-thiazol-2-yl)-4-(methylamino)butyl]guanidine, GLYCEROL, Methyltransferase domain family, ... | | Authors: | Hao, Y, Nair, S.K. | | Deposit date: | 2015-09-07 | | Release date: | 2015-09-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Insights into methyltransferase specificity and bioactivity of derivatives of the antibiotic plantazolicin.
Acs Chem.Biol., 10, 2015
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4EX5
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4G6Z
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4GRI
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2BCH
 | | A possible of Second calcium ion in interfacial binding: Atomic and Medium resolution crystal structures of the quadruple mutant of phospholipase A2 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Sekar, K, Yogavel, M, Velmurugan, D, Poi, M.J, Dauter, Z, Tsai, M.D. | | Deposit date: | 2005-10-19 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Suggestive evidence for the involvement of the second calcium and surface loop in interfacial binding: monoclinic and trigonal crystal structures of a quadruple mutant of phospholipase A(2).
Acta Crystallogr.,Sect.D, 62, 2006
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4Z1R
 | | Crystal structure of collagen-like peptide at 1.27 Angstrom resolution | | Descriptor: | Collagen-like peptide | | Authors: | Plonska-Brzezinska, M.E, Czyrko, J, Brus, D.M, Imierska, M, Brzezinski, K. | | Deposit date: | 2015-03-27 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Triple helical collagen-like peptide interactions with selected polyphenolic compounds.
Rsc Adv, 5, 2015
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5DLY
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5DM1
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5DM0
 | | Crystal structure of the plantazolicin methyltransferase BamL in complex with triazolic desmethylPZN analog and SAH | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ethyl 2-(2-{2-[(1S)-1-amino-4-carbamimidamidobutyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate, ... | | Authors: | Hao, Y, Nair, S.K. | | Deposit date: | 2015-09-07 | | Release date: | 2015-09-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Insights into methyltransferase specificity and bioactivity of derivatives of the antibiotic plantazolicin.
Acs Chem.Biol., 10, 2015
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