8OFN
| Structure of the yellow fever virus (Asibi strain) dimeric envelope protein | Descriptor: | Envelope glycoprotein, SULFATE ION | Authors: | Covernton, E, Vaney, M.C, Barba-Spaeth, G, Rey, F.A. | Deposit date: | 2023-03-16 | Release date: | 2023-08-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.48 Å) | Cite: | New insight into flavivirus maturation from structure/function studies of the yellow fever virus envelope protein complex. Mbio, 14, 2023
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5NJ4
| From macrocrystals to microcrystals: a strategy for membrane protein serial crystallography | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | Authors: | Dods, R, Baath, P, Branden, G, Neutze, R. | Deposit date: | 2017-03-28 | Release date: | 2017-08-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | From Macrocrystals to Microcrystals: A Strategy for Membrane Protein Serial Crystallography. Structure, 25, 2017
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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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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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7MYZ
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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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6EPK
| CRYSTAL STRUCTURE OF THE PRECURSOR MEMBRANE PROTEIN-ENVELOPE PROTEIN HETERODIMER FROM THE YELLOW FEVER VIRUS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, GLYCEROL, ... | Authors: | Rey, F.A, Duquerroy, S, Crampon, E, Barba-Spaeth, G. | Deposit date: | 2017-10-11 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | New insight into flavivirus maturation from structure/function studies of the yellow fever virus envelope protein complex Mbio, 2023
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5X9W
| Mismatch Repair Protein | Descriptor: | DNA mismatch repair protein MutS, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Nair, D.T, Nirwal, S. | Deposit date: | 2017-03-10 | Release date: | 2017-11-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Mechanism of formation of a toroid around DNA by the mismatch sensor protein. Nucleic Acids Res., 46, 2018
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5YK4
| Mismatch Repair Protein | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein MutS | Authors: | Nirwal, S, Nair, D.T. | Deposit date: | 2017-10-12 | Release date: | 2017-11-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Mechanism of formation of a toroid around DNA by the mismatch sensor protein. Nucleic Acids Res., 46, 2018
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6TZ9
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6TZ4
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6TZA
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6TZ5
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3Q99
| Structure of neuronal nitric oxide synthase in the ferric state in complex with N~5~-[(3-(ethylsulfanyl)propanimidoyl]-L-ornithine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... | Authors: | Li, H, Doukov, T, Poulos, T.L. | Deposit date: | 2011-01-07 | Release date: | 2011-05-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Temperature-dependent spin crossover in neuronal nitric oxide synthase bound with the heme-coordinating thioether inhibitors. J.Am.Chem.Soc., 133, 2011
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3Q9A
| Structure of neuronal nitric oxide synthase in the ferric state in complex with N-5-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... | Authors: | Li, H, Doukov, T, Poulos, T.L. | Deposit date: | 2011-01-07 | Release date: | 2011-05-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Temperature-dependent spin crossover in neuronal nitric oxide synthase bound with the heme-coordinating thioether inhibitors. J.Am.Chem.Soc., 133, 2011
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3SP1
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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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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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4JLH
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5Y97
| Crystal structure of snake gourd seed lectin in complex with lactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Seed lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Chandran, T, Vijayan, M, Sivaji, N, Surolia, A. | Deposit date: | 2017-08-23 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Ligand binding and retention in snake gourd seed lectin (SGSL). A crystallographic, thermodynamic and molecular dynamics study Glycobiology, 28, 2018
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2BD1
| A possible role of the 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, Phospholipase A2 | Authors: | Sekar, K, Velmurugan, D, Tsai, M.D. | Deposit date: | 2005-10-19 | Release date: | 2006-07-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 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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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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