7XZQ
 
 | | Crystal structure of TNIK-thiopeptide TP1 complex | | Descriptor: | 1,4-BUTANEDIOL, TRAF2 and NCK-interacting protein kinase, thiopeptide TP1 | | Authors: | Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T. | | Deposit date: | 2022-06-03 | | Release date: | 2022-10-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
|
|
6UT8
 | | Refined half-complex from tetradecameric assembly of Thermococcus gammatolerans McrB AAA+ hexamers with bound McrC | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase subunit of restriction endonuclease, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Niu, Y, Suzuki, H, Hosford, C.J, Chappie, J.S, Walz, T. | | Deposit date: | 2019-10-29 | | Release date: | 2020-10-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | Structural asymmetry governs the assembly and GTPase activity of McrBC restriction complexes.
Nat Commun, 11, 2020
|
|
6VJF
 | | The P-Loop K to A mutation of C. therm Vps1 GTPase-BSE | | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Putative sorting protein Vps1 | | Authors: | Tornabene, B.A, Varlakhanova, N.V, Chappie, J.S, Ford, M.G.J. | | Deposit date: | 2020-01-15 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.472 Å) | | Cite: | Structural and functional characterization of the dominant negative P-loop lysine mutation in the dynamin superfamily protein Vps1.
Protein Sci., 29, 2020
|
|
4UUK
 | | Human dynamin 1 K44A superconstricted polymer stabilized with GTP strand 2 | | Descriptor: | DYNAMIN-1 | | Authors: | Sundborger, A.C, Fang, S, Heymann, J.A, Ray, P, Chappie, J.S, Hinshaw, J.E. | | Deposit date: | 2014-07-29 | | Release date: | 2014-08-27 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (12.5 Å) | | Cite: | A Dynamin Mutant Defines a Superconstricted Prefission State.
Cell Rep., 8, 2014
|
|
7RLM
 | |
5N88
 | | Crystal structure of antibody bound to viral protein | | Descriptor: | PC4 and SFRS1-interacting protein, VH59 antibody | | Authors: | Bao, L, Hannon, C, Cruz-Migoni, A, Ptchelkine, D, Sun, M.-y, Derveni, M, Bunjobpol, W, Chambers, J.S, Simmons, A, Phillips, S.E.V, Rabbitts, T.H. | | Deposit date: | 2017-02-23 | | Release date: | 2017-12-20 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Intracellular immunization against HIV infection with an intracellular antibody that mimics HIV integrase binding to the cellular LEDGF protein.
Sci Rep, 7, 2017
|
|
5UIS
 | | Crystal structure of IRAK4 in complex with compound 12 | | Descriptor: | 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
|
|
5UIQ
 | | Crystal structure of IRAK4 in complex with compound 9 | | Descriptor: | 2-[(propan-2-yl)oxy]benzamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
|
|
5UIR
 | | Crystal structure of IRAK4 in complex with compound 11 | | Descriptor: | 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
|
|
5UIT
 | | Crystal structure of IRAK4 in complex with compound 14 | | Descriptor: | 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
|
|
5UIU
 | | Crystal structure of IRAK4 in complex with compound 30 | | Descriptor: | 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
|
|
3M6B
 | | Crystal Structure of the Ertapenem Pre-isomerized Covalent Adduct with TB B-lactamase | | Descriptor: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Tremblay, L.W, Fan, F, Blanchard, J.S. | | Deposit date: | 2010-03-15 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Biochemical and structural characterization of Mycobacterium tuberculosis beta-lactamase with the carbapenems ertapenem and doripenem.
Biochemistry, 49, 2010
|
|
6NJW
 | | C-terminal region of the Xanthomonas campestris pv. campestris OLD protein phased with platinum | | Descriptor: | IODIDE ION, MAGNESIUM ION, PLATINUM (II) ION, ... | | Authors: | Schiltz, C.J, Lee, A, Partlow, E.A, Hosford, C.J, Chappie, J.S. | | Deposit date: | 2019-01-04 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural characterization of Class 2 OLD family nucleases supports a two-metal catalysis mechanism for cleavage.
Nucleic Acids Res., 47, 2019
|
|
3N8S
 | | Crystal Structure of BlaC-E166A covalently bound with Cefamandole | | Descriptor: | (2R)-2-[(1R)-1-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Tremblay, L.W, Blanchard, J.S. | | Deposit date: | 2010-05-28 | | Release date: | 2010-11-24 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of the Michaelis Complex (1.2 A) and the Covalent Acyl Intermediate (2.0 A) of Cefamandole Bound in the Active Sites of the Mycobacterium tuberculosis beta-Lactamase K73A and E166A Mutants.
Biochemistry, 49, 2010
|
|
3N6I
 | |
6NJV
 | | C-terminal region of the Xanthomonas campestris pv. campestris OLD protein phased with iodine | | Descriptor: | IODIDE ION, MAGNESIUM ION, Xcc_CTR_I | | Authors: | Schiltz, C.J, Lee, A, Partlow, E.A, Hosford, C.J, Chappie, J.S. | | Deposit date: | 2019-01-04 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural characterization of Class 2 OLD family nucleases supports a two-metal catalysis mechanism for cleavage.
Nucleic Acids Res., 47, 2019
|
|
3N8R
 | |
3NDG
 | |
3NBL
 | | Crystal Structure of BlaC-E166A covalently bound with Cefuroxime | | Descriptor: | (2R)-5-[(carbamoyloxy)methyl]-2-[(1R)-1-{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase | | Authors: | Tremblay, L.W, Blanchard, J.S. | | Deposit date: | 2010-06-03 | | Release date: | 2011-12-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | BlaC-E166A covalently bound with cephalosporins and penicillins
To be Published
|
|
3N7W
 | |
3N8L
 | |
6N0S
 | | N-terminal domain of Staphylothermus marinus McrB | | Descriptor: | ATPase associated with various cellular activities, AAA_5, SULFATE ION | | Authors: | Hosford, C.J, Niu, Y, Chappie, J.S. | | Deposit date: | 2018-11-07 | | Release date: | 2019-11-13 | | Last modified: | 2020-11-25 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | The N-terminal domain of Staphylothermus marinus McrB shares structural homology with PUA-like RNA binding proteins.
J.Struct.Biol., 211, 2020
|
|
3NDE
 | |
3NCK
 | |
6NJX
 | | C-terminal region of the Xanthomonas campestris pv. campestris OLD protein phased with mercury | | Descriptor: | IODIDE ION, MERCURY (II) ION, Xcc_ctr_Hg | | Authors: | Schiltz, C.J, Lee, A, Partlow, E.A, Hosford, C.J, Chappie, J.S. | | Deposit date: | 2019-01-04 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural characterization of Class 2 OLD family nucleases supports a two-metal catalysis mechanism for cleavage.
Nucleic Acids Res., 47, 2019
|
|
