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
|
|
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
|
|
7UCS
 | |
7UCT
 | |
7UD1
 | |
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
6AQ1
 | | The crystal structure of human FABP3 | | Descriptor: | Fatty acid-binding protein, heart, PALMITIC ACID, ... | | Authors: | Hsu, H.C, Li, H. | | Deposit date: | 2017-08-18 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.40000093 Å) | | Cite: | SAR studies on truxillic acid mono esters as a new class of antinociceptive agents targeting fatty acid binding proteins.
Eur J Med Chem, 154, 2018
|
|
