5M3O
| HTRA2 A141S mutant structure | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Serine protease HTRA2, mitochondrial | Authors: | Merski, M, Barbosa Pereira, P.J, Macedo-Ribeiro, S. | Deposit date: | 2016-10-15 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular motion regulates the activity of the Mitochondrial Serine Protease HtrA2. Cell Death Dis, 8, 2017
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5M3N
| HTRA2 wild-type structure | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Serine protease HTRA2, mitochondrial | Authors: | Merski, M, Pereira, P.J.B, Macedo-Ribeiro, S. | Deposit date: | 2016-10-15 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Molecular motion regulates the activity of the Mitochondrial Serine Protease HtrA2. Cell Death Dis, 8, 2017
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4W55
| T4 Lysozyme L99A with n-Propylbenzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, propylbenzene | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6401 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W58
| T4 Lysozyme L99A with n-Pentylbenzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, pentylbenzene | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W52
| T4 Lysozyme L99A with Benzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BENZENE, Endolysin | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5001 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W54
| T4 Lysozyme L99A with Ethylbenzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, PHENYLETHANE | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7901 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W57
| T4 Lysozyme L99A with n-Butylbenzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, N-BUTYLBENZENE | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6801 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W51
| T4 Lysozyme L99A with No Ligand Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W53
| T4 Lysozyme L99A with Toluene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, TOLUENE | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W56
| T4 Lysozyme L99A with sec-Butylbenzene Bound | Descriptor: | (2R)-butan-2-ylbenzene, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W59
| T4 Lysozyme L99A with n-Hexylbenzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, hexylbenzene | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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5TNY
| HTRA2 G399S mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Serine protease HTRA2, mitochondrial | Authors: | Merski, M, Barbosa Pereira, P.J, Macedo-Ribeiro, S. | Deposit date: | 2016-10-15 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular motion regulates the activity of the Mitochondrial Serine Protease HtrA2. Cell Death Dis, 8, 2017
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5TO0
| HTRA2 S276C mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Serine protease HTRA2, mitochondrial | Authors: | Merski, M, Barbosa Pereira, P.J, Macedo-Ribeiro, S. | Deposit date: | 2016-10-15 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular motion regulates the activity of the Mitochondrial Serine Protease HtrA2. Cell Death Dis, 8, 2017
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5TO1
| HtrA2 exposed (L266R, F303A) mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Serine protease HTRA2, ... | Authors: | Merski, M, Barbosa Pereira, P.J, Macedo-Ribeiro, S. | Deposit date: | 2016-10-15 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Molecular motion regulates the activity of the Mitochondrial Serine Protease HtrA2. Cell Death Dis, 8, 2017
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4EKS
| T4 Lysozyme L99A/M102H with Isoxazole Bound | Descriptor: | 1,2-benzisoxazole, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-04-09 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Engineering a model protein cavity to catalyze the Kemp elimination. Proc.Natl.Acad.Sci.USA, 109, 2012
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4E97
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4EKP
| T4 Lysozyme L99A/M102H with Nitrobenzene Bound | Descriptor: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-04-09 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Engineering a model protein cavity to catalyze the Kemp elimination. Proc.Natl.Acad.Sci.USA, 109, 2012
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4EKQ
| T4 Lysozyme L99A/M102H with 4-Nitrophenol Bound | Descriptor: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-04-09 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Engineering a model protein cavity to catalyze the Kemp elimination. Proc.Natl.Acad.Sci.USA, 109, 2012
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4EKR
| T4 Lysozyme L99A/M102H with 2-Cyanophenol Bound | Descriptor: | 2-HYDROXYETHYL DISULFIDE, 2-hydroxybenzonitrile, ACETATE ION, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-04-09 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Engineering a model protein cavity to catalyze the Kemp elimination. Proc.Natl.Acad.Sci.USA, 109, 2012
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4I7R
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4I7J
| T4 Lysozyme L99A/M102H with benzene bound | Descriptor: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BENZENE, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-11-30 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
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4I7T
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4I7O
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4I7N
| T4 Lysozyme L99A/M102H with 1-phenyl-2-propyn-1-ol bound | Descriptor: | (1R)-1-phenylprop-2-yn-1-ol, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-11-30 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
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4I7M
| T4 Lysozyme L99A/M102H with 2-allylphenol bound | Descriptor: | 2-ALLYLPHENOL, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-11-30 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
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