6YHI
 
 | | Solution NMR Structure of APP G38L mutant TMD | | Descriptor: | Amyloid-beta precursor protein G38L mutant | | Authors: | Silber, M, Muhle-Goll, C. | | Deposit date: | 2020-03-30 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Altered Hinge Conformations in APP Transmembrane Helix Mutants May Affect Enzyme-Substrate Interactions of gamma-Secretase.
Acs Chem Neurosci, 11, 2020
|
|
7LTZ
 | | Bruton's tyrosine kinase in complex with compound 51 | | Descriptor: | 1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, ... | | Authors: | Metrick, C.M, Marcotte, D.J. | | Deposit date: | 2021-02-20 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022
|
|
7LTY
 | | Bruton's tyrosine kinase in complex with compound 23 | | Descriptor: | DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK, ~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide | | Authors: | Metrick, C.M, Marcotte, D.J. | | Deposit date: | 2021-02-20 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022
|
|
7OVH
 | | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 14 (JMV-6931) | | Descriptor: | ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, UNKNOWN LIGAND, ... | | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Marcoccia, F, Docquier, J.D, Pozzi, C, Mangani, S. | | Deposit date: | 2021-06-14 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
|
|
7OVE
 | | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 10 (JMV-7210) | | Descriptor: | ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, UNKNOWN LIGAND, ... | | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Mangani, S, Docquier, J.D, Pozzi, C, Marcoccia, F. | | Deposit date: | 2021-06-14 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | 1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
|
|
7OVF
 | | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 8 (JMV-7207) | | Descriptor: | 4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1H-1,2,4-triazole-5-thione, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Marcoccia, F, Docquier, J.D, Pozzi, C, Mangani, S. | | Deposit date: | 2021-06-14 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
|
|
8B3X
 | | High resolution crystal structure of dimeric SUDV VP40 | | Descriptor: | Matrix protein VP40 | | Authors: | Werner, A.-D, Norris, M, Saphire, E.O, Becker, S. | | Deposit date: | 2022-09-17 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.531 Å) | | Cite: | The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications.
Structure, 31, 2023
|
|
8DB3
 | | Crystal structure of KaiC with truncated C-terminal coiled-coil domain | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiC | | Authors: | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | | Deposit date: | 2022-06-14 | | Release date: | 2023-03-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | From primordial clocks to circadian oscillators.
Nature, 616, 2023
|
|
8DBA
 | | Crystal structure of dodecameric KaiC | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiC, MAGNESIUM ION | | Authors: | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | | Deposit date: | 2022-06-14 | | Release date: | 2023-03-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | From primordial clocks to circadian oscillators.
Nature, 616, 2023
|
|
8OOI
 | | Full composite cryo-EM map of p97/VCP in ADP.Pi state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Cheng, T.C, Sakata, E, Schuetz, A.K. | | Deposit date: | 2023-04-05 | | Release date: | 2024-01-31 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | Characterizing ATP processing by the AAA+ protein p97 at the atomic level.
Nat.Chem., 16, 2024
|
|
6ZMI
 | | SARS-CoV-2 Nsp1 bound to the human LYAR-80S ribosome complex | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2020-07-02 | | Release date: | 2020-08-19 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
|
|
6ZMO
 | | SARS-CoV-2 Nsp1 bound to the human LYAR-80S-eEF1a ribosome complex | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2020-07-03 | | Release date: | 2020-08-19 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
|
|
6ZM7
 | | SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2020-07-01 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
|
|
6EL6
 | | Glucocorticoid Receptor in complex with compound 4 | | Descriptor: | 1,2-ETHANEDIOL, Glucocorticoid receptor, Nuclear receptor coactivator 2, ... | | Authors: | Edman, K, Wissler, L. | | Deposit date: | 2017-09-28 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
|
|
6EL9
 | | Glucocorticoid Receptor in complex with AZD9567 | | Descriptor: | 1,2-ETHANEDIOL, 2,2-bis(fluoranyl)-~{N}-[(1~{R},2~{S})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide, Glucocorticoid receptor, ... | | Authors: | Edman, K, Wissler, L. | | Deposit date: | 2017-09-28 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
|
|
6ZN5
 | | SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex - state 2 | | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2020-07-06 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
|
|
6ZP4
 | | SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2 | | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2020-07-08 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
|
|
6ZME
 | | SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2020-07-02 | | Release date: | 2020-08-12 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
|
|
6ZMT
 | | SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex | | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2020-07-03 | | Release date: | 2020-08-19 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
|
|
6ZON
 | | SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 1 | | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | Authors: | Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2020-07-07 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
|
|
6EL7
 | | Glucocorticoid Receptor in complex with compound 31 | | Descriptor: | 1,2-ETHANEDIOL, Glucocorticoid receptor, Nuclear receptor coactivator 2, ... | | Authors: | Edman, K, Wissler, L. | | Deposit date: | 2017-09-28 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
|
|
7PPH
 | | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH Compound 10 | | Descriptor: | GLYCEROL, N-[4-[(5R)-6-oxidanylidene-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Hillig, R.C. | | Deposit date: | 2021-09-13 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
|
|
7PPI
 | | Crystal STRUCTURE OF NAMPT IN COMPLEX WITH Compound 11 | | Descriptor: | CHLORIDE ION, GLYCEROL, N-[4-[(5R)-1-(4-azanylbutyl)-6-oxidanylidene-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, ... | | Authors: | Hillig, R.C. | | Deposit date: | 2021-09-13 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
|
|
7PPE
 | | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 1 | | Descriptor: | GLYCEROL, N-[4-[(4R)-4-methyl-1-(oxan-4-yl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Hillig, R.C. | | Deposit date: | 2021-09-13 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
|
|
7PPF
 | | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 8 | | Descriptor: | 1,2-ETHANEDIOL, N-[4-[(4R)-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Hillig, R.C. | | Deposit date: | 2021-09-13 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
|
|
