3TZE
 
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4G6Z
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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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4GRI
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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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4EX5
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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: | 2024-10-16 | | 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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5O4C
 | | 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: | 2017-05-28 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | From Macrocrystals to Microcrystals: A Strategy for Membrane Protein Serial Crystallography.
Structure, 25, 2017
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5IKC
 | | X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN in complex with FAB | | Descriptor: | CHLORIDE ION, Ighg protein, MAb 6H10 light chain, ... | | Authors: | Ruf, A, Stihle, M, Benz, J, Thoma, R, Rudolph, M.G. | | Deposit date: | 2016-03-03 | | Release date: | 2016-05-18 | | Last modified: | 2020-03-11 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
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5O64
 | | 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: | 2017-06-05 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | From Macrocrystals to Microcrystals: A Strategy for Membrane Protein Serial Crystallography.
Structure, 25, 2017
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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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8GKS
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF291 inhibitor | | Descriptor: | GLYCINE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]benzoyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Katinas, J.M, Dann III, C.E. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.99 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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8GKU
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF355 inhibitor | | Descriptor: | GLYCINE, N-{4-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]-2-fluorobenzoyl}-D-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Katinas, J.M, Dann III, C.E. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.06 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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8GKT
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF320 inhibitor | | Descriptor: | N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{5-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]thiophene-2-carbonyl}-L-glutamic acid, Serine hydroxymethyltransferase, ... | | Authors: | Katinas, J.M, Dann III, C.E. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.64 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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8GKY
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) Y105F in complex with PLP, glycine and AGF359 inhibitor | | Descriptor: | GLYCINE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]-2-fluorobenzoyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Katinas, J.M, Dann III, C.E. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.77 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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8GKZ
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) Y105F in complex with PLP, glycine and AGF362 inhibitor | | Descriptor: | GLYCINE, N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Katinas, J.M, Dann III, C.E. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.75 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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8GKW
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF359 inhibitor | | Descriptor: | GLYCINE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]-2-fluorobenzoyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Katinas, J.M, Dann III, C.E. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.38 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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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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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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7MYZ
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6BXL
 | | Crystal structure of Pyrococcus horikoshii Dph2 with 4Fe-4S cluster and SAM | | Descriptor: | 2-(3-amino-3-carboxypropyl)histidine synthase, IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE | | Authors: | Torelli, A.T, Fenwick, M.K, Zhang, Y, Dong, M, Kathiresan, V, Carantoa, J.D, Dzikovski, B, Lancaster, K.M, Freed, J.H, Hoffman, B.M, Lin, H, Ealick, S.E. | | Deposit date: | 2017-12-18 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis.
Science, 359, 2018
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6BXM
 | | Crystal structure of Candidatus Methanoperedens nitroreducens Dph2 with 4Fe-4S cluster and SAM/cleaved SAM | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, ALPHA-AMINOBUTYRIC ACID, Diphthamide biosynthesis enzyme Dph2, ... | | Authors: | Fenwick, M.K, Torelli, A.T, Zhang, Y, Dong, M, Kathiresan, V, Carantoa, J.D, Dzikovski, B, Lancaster, K.M, Freed, J.H, Hoffman, B.M, Lin, H, Ealick, S.E. | | Deposit date: | 2017-12-18 | | Release date: | 2018-04-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.252 Å) | | Cite: | Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis.
Science, 359, 2018
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6BXN
 | | Crystal structure of Candidatus Methanoperedens nitroreducens Dph2 with 4Fe-4S cluster and SAM | | Descriptor: | Diphthamide biosynthesis enzyme Dph2, IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE | | Authors: | Fenwick, M.K, Torelli, A.T, Zhang, Y, Dong, M, Kathiresan, V, Carantoa, J.D, Dzikovski, B, Lancaster, K.M, Freed, J.H, Hoffman, B.M, Lin, H, Ealick, S.E. | | Deposit date: | 2017-12-18 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.079 Å) | | Cite: | Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis.
Science, 359, 2018
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