6B3F
| |
6E5L
| Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiol (abn-CBD) | Descriptor: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinol-binding protein 1 | Authors: | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | Deposit date: | 2018-07-20 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1. Acs Chem.Biol., 14, 2019
|
|
6E5S
| |
5WJ8
| Crystal Structure of Human Cadherin-23 EC13-14 | Descriptor: | CALCIUM ION, CHLORIDE ION, Cadherin-23, ... | Authors: | Velez-Cortes, F, Conghui, C, De-la-Torre, P, Sotomayor, M. | Deposit date: | 2017-07-21 | Release date: | 2018-07-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness. Structure, 26, 2018
|
|
6E7D
| Structure of the inhibitory NKR-P1B receptor bound to the host-encoded ligand, Clr-b | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D, Killer cell lectin-like receptor subfamily B member 1B allele B, ... | Authors: | Balaji, G.R, Rossjohn, J, Berry, R. | Deposit date: | 2018-07-26 | Release date: | 2018-10-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Recognition of host Clr-b by the inhibitory NKR-P1B receptor provides a basis for missing-self recognition. Nat Commun, 9, 2018
|
|
6EQ9
| Crystal structure of JNK3 in complex with AMP-PCP | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Macedo, J.T, Stehle, T, Blaum, B.S. | Deposit date: | 2017-10-12 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3. ACS Omega, 3, 2018
|
|
5WJF
| Crystal structure of murine 4-1BB from HEK293T cells in P21212 space group | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor receptor superfamily member 9 | Authors: | Zajonc, D.M, Doukov, T, Bitra, A. | Deposit date: | 2017-07-21 | Release date: | 2017-12-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of murine 4-1BB and its interaction with 4-1BBL support a role for galectin-9 in 4-1BB signaling. J. Biol. Chem., 293, 2018
|
|
8GAV
| Structure of human NDS.3 Fab in complex with influenza virus neuraminidase from A/Darwin/09/2021 (H3N2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab NDS.3, heavy chain, ... | Authors: | Tsybovsky, Y, Lederhofer, J, Kwong, P.D, Kanekiyo, M. | Deposit date: | 2023-02-23 | Release date: | 2024-02-28 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Protective human monoclonal antibodies target conserved sites of vulnerability on the underside of influenza virus neuraminidase. Immunity, 57, 2024
|
|
6E9A
| HIV-1 WILD TYPE PROTEASE WITH GRL-034-17A, (3aS, 5R, 6aR)-2-OXOHEXAHYD CYCLOPENTA[D]-5-OXAZOLYL URETHANE WITH A BICYCLIC OXAZOLIDINONE SCAFF AS THE P2 LIGAND | Descriptor: | (3aS,5R,6aR)-2-oxohexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, FORMIC ACID, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2018-07-31 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies. J. Med. Chem., 61, 2018
|
|
7UCS
| |
6BD7
| Crystal structure of human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2017-10-21 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay Mol. Pharm., 2017
|
|
7UCT
| |
6E9W
| Crystal structure of Rock1 with a pyridinylbenzamide based inhibitor | Descriptor: | N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 1, SULFATE ION | Authors: | Judge, R.A, Hobson, A.D. | Deposit date: | 2018-08-01 | Release date: | 2018-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design. J. Med. Chem., 61, 2018
|
|
7UD1
| |
7UD3
| |
7UCV
| |
7UCN
| |
7UCZ
| |
7BGT
| Mason-Pfizer Monkey Virus Protease mutant C7A/D26N/C106A in complex with peptidomimetic inhibitor | Descriptor: | ACETATE ION, Gag-Pro-Pol polyprotein, PENTAETHYLENE GLYCOL, ... | Authors: | Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I. | Deposit date: | 2021-01-08 | Release date: | 2021-12-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structures of inhibitor complexes of M-PMV protease with visible flap loops. Protein Sci., 30, 2021
|
|
8GC9
| RNase A-Uridine 5'-Heptaphosphate (RNase A.p7U) | Descriptor: | Ribonuclease pancreatic, uridine 5'-heptaphosphate | Authors: | Park, G, Cummins, C. | Deposit date: | 2023-03-01 | Release date: | 2024-03-06 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Pentaphosphorylation via the Anhydride of Dihydrogen Pentametaphosphate: Access to Nucleoside Hexa- and Heptaphosphates and Study of Their Interaction with Ribonuclease A. Acs Cent.Sci., 10, 2024
|
|
6EGZ
| Crystal structure of cytochrome c in complex with di-PEGylated sulfonatocalix[4]arene | Descriptor: | Cytochrome c iso-1, HEME C, SODIUM ION, ... | Authors: | Mummidivarapu, V.V.S, Rennie, M.L, Crowley, P.B. | Deposit date: | 2017-09-12 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Noncovalent PEGylation via Sulfonatocalix[4]arene-A Crystallographic Proof. Bioconjug.Chem., 29, 2018
|
|
6AP5
| H, 13C, and 15N Chemical Shift Assignments and structure of Thioredoxin from Mycobacterium thermoresistibile ATCC 19527 and NCTC 10409 | Descriptor: | Thioredoxin | Authors: | Tang, C.T, Yang, F.Y, Varani, G.V, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2017-08-17 | Release date: | 2017-10-25 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | H, 13C, and 15N Chemical Shift Assignments and structure of Thioredoxin from Mycobacterium thermoresistibile ATCC 19527 and NCTC 10409 To Be Published
|
|
5WNF
| X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR | Descriptor: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)-1H-1,2,3-triazole-4-carboxamide, GLYCEROL, Rho-associated protein kinase 1 | Authors: | Li, X. | Deposit date: | 2017-07-31 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Novel mechanism of Rho kinase selectivity: beyond the ATP pocket To Be Published
|
|
6JSE
| Crystal Structure of BACE1 in complex with N-(3-((4S,5R)-2-amino-4-methyl-5-phenyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ... | Authors: | Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2019-04-08 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2. J.Med.Chem., 62, 2019
|
|
5X24
| Crystal structure of CYP2C9 genetic variant I359L (*3) in complex with multiple losartan molecules | Descriptor: | Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Maekawa, K, Adachi, M, Shah, M.B. | Deposit date: | 2017-01-30 | Release date: | 2017-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9 Biochemistry, 56, 2017
|
|