5LVL
 
 | | Human PDK1 Kinase Domain in Complex with Compound PS653 Bound to the ATP-Binding Site | | Descriptor: | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, 3-phosphoinositide-dependent protein kinase 1, DIMETHYL SULFOXIDE, ... | | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | | Deposit date: | 2016-09-14 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
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6VT0
 | | Naegleria gruberi RNA ligase K170A mutant apo | | Descriptor: | RNA Ligase | | Authors: | Unciuleac, M.C, Goldgur, Y, Shuman, S. | | Deposit date: | 2020-02-12 | | Release date: | 2020-04-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Nucleic Acids Res., 48, 2020
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6VTB
 | | Naegleria gruberi RNA ligase K326A mutant with ATP and Mn | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, RNA ligase | | Authors: | Unciuleac, M.C, Goldgur, Y, Shuman, S. | | Deposit date: | 2020-02-12 | | Release date: | 2020-04-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.547 Å) | | Cite: | Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Nucleic Acids Res., 48, 2020
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6GD0
 | | Trypanosoma brucei PTR1 in complex with inhibitor 4g (F133) | | Descriptor: | ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase, ... | | Authors: | Landi, G, Pozzi, C, Mangani, S. | | Deposit date: | 2018-04-20 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
J.Med.Chem., 62, 2019
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6GDO
 | | Trypanosoma brucei PTR1 in complex with inhibitor 2g (F240) | | Descriptor: | ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Pozzi, C, Landi, G, Mangani, S. | | Deposit date: | 2018-04-24 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
J.Med.Chem., 62, 2019
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4AOA
 | | Biochemical properties and crystal structure of a novel beta- phenylalanine aminotransferase from Variovorax paradoxus | | Descriptor: | 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, BETA-PHENYLALANINE AMINOTRANSFERASE, GLYCEROL | | Authors: | Crismaru, C.G, Wybenga, G.G, Szymanski, W, Wijma, H.J, Wu, B, deWildeman, S, Poelarends, G.J, Dijkstra, B.W, Janssen, D.B. | | Deposit date: | 2012-03-25 | | Release date: | 2012-10-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Biochemical Properties and Crystal Structure of a Beta-Phenylalanine Aminotransferase from Variovorax Paradoxus.
Appl.Environ.Microbiol., 79, 2013
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7U1Y
 | | Structure of SPAC806.04c protein from fission yeast bound to AlF4 and Co2+ | | Descriptor: | COBALT (II) ION, Damage-control phosphatase SPAC806.04c, POTASSIUM ION, ... | | Authors: | Jacewicz, A, Sanchez, A.M, Shuman, S. | | Deposit date: | 2022-02-22 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
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7U1V
 | | Structure of SPAC806.04c protein from fission yeast covalently bound to BeF3 | | Descriptor: | Damage-control phosphatase SPAC806.04c, NICKEL (II) ION, PHOSPHATE ION, ... | | Authors: | Jacewicz, A, Sanchez, A.M, Shuman, S. | | Deposit date: | 2022-02-22 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
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7U1X
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6VT9
 | | Naegleria gruberi RNA ligase E227A mutant with ATP and Mn | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, RNA ligase | | Authors: | Unciuleac, M.C, Goldgur, Y, Shuman, S. | | Deposit date: | 2020-02-12 | | Release date: | 2020-04-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Nucleic Acids Res., 48, 2020
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6GCK
 | | Trypanosoma brucei PTR1 in complex with inhibitor 1e (F206) | | Descriptor: | 4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Pozzi, C, Landi, G, Mangani, S. | | Deposit date: | 2018-04-18 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
J.Med.Chem., 62, 2019
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6VYF
 | | Cryo-EM structure of Plasmodium vivax hexokinase (Open state) | | Descriptor: | Phosphotransferase | | Authors: | Srivastava, S.S, Darling, J.E, Suryadi, J, Morris, J.C, Drew, M.E, Subramaniam, S. | | Deposit date: | 2020-02-26 | | Release date: | 2020-05-06 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Plasmodium vivax and human hexokinases share similar active sites but display distinct quaternary architectures
Iucrj, 7, 2020
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5LVN
 | | Human PDK1 Kinase Domain in Complex with Adenosine Bound to the ATP-Binding Site | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, ADENOSINE, CHLORIDE ION, ... | | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | | Deposit date: | 2016-09-14 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.379 Å) | | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
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5LVP
 | | Human PDK1 Kinase Domain in Complex with an HM-Peptide Bound to the PIF-Pocket | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | | Deposit date: | 2016-09-14 | | Release date: | 2016-10-19 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
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6GCQ
 | | Trypanosoma brucei PTR1 in complex with inhibitor 2b (F192) | | Descriptor: | 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Pozzi, C, Landi, G, Mangani, S. | | Deposit date: | 2018-04-18 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
J.Med.Chem., 62, 2019
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6VT1
 | | Naegleria gruberi RNA ligase D172A mutant apo | | Descriptor: | ADENOSINE MONOPHOSPHATE, RNA Ligase | | Authors: | Unciuleac, M.C, Goldgur, Y, Shuman, S. | | Deposit date: | 2020-02-12 | | Release date: | 2020-04-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.381 Å) | | Cite: | Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Nucleic Acids Res., 48, 2020
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6VYG
 | | Cryo-EM structure of Plasmodium vivax hexokinase (Closed state) | | Descriptor: | Phosphotransferase | | Authors: | Srivastava, S.S, Darling, J.E, Suryadi, J, Morris, J.C, Drew, M.E, Subramaniam, S. | | Deposit date: | 2020-02-26 | | Release date: | 2020-05-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Plasmodium vivax and human hexokinases share similar active sites but display distinct quaternary architectures
Iucrj, 7, 2020
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6GF1
 | | The structure of the ubiquitin-like modifier FAT10 reveals a novel targeting mechanism for degradation by the 26S proteasome | | Descriptor: | SULFATE ION, Ubiquitin D | | Authors: | Aichem, A, Anders, S, Catone, N, Roessler, P, Stotz, S, Berg, A, Schwab, R, Scheuermann, S, Bialas, J, Schmidtke, G, Peter, C, Groettrup, M, Wiesner, S. | | Deposit date: | 2018-04-28 | | Release date: | 2018-08-29 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.925 Å) | | Cite: | The structure of the ubiquitin-like modifier FAT10 reveals an alternative targeting mechanism for proteasomal degradation.
Nat Commun, 9, 2018
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8PX5
 | | Structure of the RNA recognition motif (RRM) of Seb1 from S. pombe., solved at wavelength 2.75 A | | Descriptor: | Rpb7-binding protein seb1 | | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Wittmann, S, Renner, M, Grimes, J.M, Wagner, A. | | Deposit date: | 2023-07-22 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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6GCL
 | | Trypanosoma brucei PTR1 in complex with inhibitor 3a (F020) | | Descriptor: | 6-methylsulfonyl-1,3-benzothiazol-2-amine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase | | Authors: | Landi, G, Pozzi, C, Mangani, S. | | Deposit date: | 2018-04-18 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
J.Med.Chem., 62, 2019
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6GCP
 | | Trypanosoma brucei PTR1 in complex with inhibitor 2d (F186) | | Descriptor: | 6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine, ACETATE ION, GLYCEROL, ... | | Authors: | Pozzi, C, Landi, G, Mangani, S. | | Deposit date: | 2018-04-18 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
J.Med.Chem., 62, 2019
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8POI
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6GF2
 | | The structure of the ubiquitin-like modifier FAT10 reveals a novel targeting mechanism for degradation by the 26S proteasome | | Descriptor: | Ubiquitin D | | Authors: | Aichem, A, Anders, S, Catone, N, Roessler, P, Stotz, S, Berg, A, Schwab, R, Scheuermann, S, Bialas, J, Schmidtke, G, Peter, C, Groettrup, M, Wiesner, S. | | Deposit date: | 2018-04-29 | | Release date: | 2018-08-08 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | The structure of the ubiquitin-like modifier FAT10 reveals an alternative targeting mechanism for proteasomal degradation.
Nat Commun, 9, 2018
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4BR1
 | | Protease-induced heterodimer of human triosephosphate isomerase. | | Descriptor: | TRIOSEPHOSPHATE ISOMERASE | | Authors: | DeLaMora-DeLaMora, I, Torres-Larios, A, Hernandez-Alcantara, G, Mendoza-Hernandez, G, Enriquez-Flores, S, Mendez, S.T, Castillo-Villanueva, A, Garcia-Torres, I, Torres-Arroyo, A, Gomez-Manzo, S, Marcial-Quino, J, Oria-Hernandez, J, Lopez-Velazquez, G, Reyes-Vivas, H. | | Deposit date: | 2013-06-03 | | Release date: | 2013-06-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Differential Proteolysis in Human Triosephosphate Isomerase
To be Published
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5DZW
 | | Protocadherin alpha 4 extracellular cadherin domains 1-4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protocadherin alpha-4, ... | | Authors: | Goodman, K.M, Bahna, F, Mannepalli, S, Honig, B, Shapiro, L. | | Deposit date: | 2015-09-26 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins.
Neuron, 90, 2016
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