6MRG
| FAAH bound to non covalent inhibitor | Descriptor: | (1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol, Fatty-acid amide hydrolase 1 | Authors: | Saha, A, Shih, A, Mirzadegan, T, Seierstad, M. | Deposit date: | 2018-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Predicting the Binding of Fatty Acid Amide Hydrolase Inhibitors by Free Energy Perturbation. J Chem Theory Comput, 14, 2018
|
|
6OVG
| |
6M94
| Monophosphorylated pSer33 b-Catenin peptide bound to b-TrCP/Skp1 Complex | Descriptor: | Catenin beta-1, DIMETHYL SULFOXIDE, F-box/WD repeat-containing protein 1A, ... | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J. | Deposit date: | 2018-08-22 | Release date: | 2019-04-03 | Last modified: | 2019-04-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun, 10, 2019
|
|
6M91
| Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-103094 ternary complex | Descriptor: | 3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid, CHLORIDE ION, Catenin beta-1, ... | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J. | Deposit date: | 2018-08-22 | Release date: | 2019-04-03 | Last modified: | 2019-04-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun, 10, 2019
|
|
6M93
| Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-1933 ternary complex | Descriptor: | 2-oxo-N-[3-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide, Catenin beta-1, F-box/WD repeat-containing protein 1A, ... | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Lee, S.J. | Deposit date: | 2018-08-22 | Release date: | 2019-04-03 | Last modified: | 2019-04-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun, 10, 2019
|
|
2M2C
| Solution structure of Duplex DNA | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*TP*AP*GP*CP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*CP*AP*TP*GP*CP*TP*AP*CP*GP*CP*G)-3') | Authors: | Ghosh, A, Kar, R.K, Chatterjee, S, Bhunia, A. | Deposit date: | 2012-12-18 | Release date: | 2013-01-23 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Indolicidin targets duplex DNA: structural and mechanistic insight through a combination of spectroscopy and microscopy. Chemmedchem, 9, 2014
|
|
8VXE
| Structure of p38 alpha (Mitogen-activated protein kinase 14) complexed with inhibitor 6 | Descriptor: | (4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine, Mitogen-activated protein kinase 14 | Authors: | Blaesse, M, Steinbacher, S, Shaffer, P.L, Sharma, S, Thompson, A.A. | Deposit date: | 2024-02-04 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions. Acs Med.Chem.Lett., 15, 2024
|
|
8VXD
| |
8VXF
| Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 15 | Descriptor: | (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine, Casein kinase I isoform delta | Authors: | Thompson, A.A, Milligan, C.M, Sharma, S. | Deposit date: | 2024-02-04 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions. Acs Med.Chem.Lett., 15, 2024
|
|
7XRW
| Solution structure of T. brucei RAP1 | Descriptor: | Repressor activator protein 1 | Authors: | Yang, X, Pan, X.H, Ji, Z.Y, Wong, K.B, Zhang, M.J, Zhao, Y.X. | Deposit date: | 2022-05-12 | Release date: | 2023-03-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The RRM-mediated RNA binding activity in T. brucei RAP1 is essential for VSG monoallelic expression. Nat Commun, 14, 2023
|
|
6M90
| Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2776 ternary complex | Descriptor: | 2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ... | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J. | Deposit date: | 2018-08-22 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun, 10, 2019
|
|
6M92
| Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2663 ternary complex | Descriptor: | 3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ... | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J, Lee, S.J. | Deposit date: | 2018-08-22 | Release date: | 2019-04-03 | Last modified: | 2020-01-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun, 10, 2019
|
|
7ZO1
| SpCas9 bound to CD34 off-target9 DNA substrate | Descriptor: | CD34 off-target9 DNA non-target strand, CD34 off-target9 DNA target strand, CD34 sgRNA, ... | Authors: | Pacesa, M, Jinek, M. | Deposit date: | 2022-04-23 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
|
|
8SK5
| Crystal structure of the SARS-CoV-2 neutralizing VHH 7A9 bound to the spike receptor binding domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, anti-SARS-CoV-2 receptor binding domain VHH | Authors: | Noland, C.L, Pande, K, Zhang, L, Zhou, H, Galli, J, Eddins, M, Gomez-Llorente, Y. | Deposit date: | 2023-04-18 | Release date: | 2023-08-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.011 Å) | Cite: | Discovery and multimerization of cross-reactive single-domain antibodies against SARS-like viruses to enhance potency and address emerging SARS-CoV-2 variants. Sci Rep, 13, 2023
|
|
5EIG
| |
7QQR
| SpCas9 bound to AAVS1 off-target5 DNA substrate | Descriptor: | 1,2-ETHANEDIOL, AAVS1 off-target5 non-target strand, AAVS1 off-target5 target strand, ... | Authors: | Pacesa, M, Jinek, M. | Deposit date: | 2022-01-10 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
|
|
7QQV
| SpCas9 bound to FANCF off-target3 DNA substrate | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target3 non-target strand, FANCF off-target3 target strand, ... | Authors: | Pacesa, M, Jinek, M. | Deposit date: | 2022-01-10 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
|
|
7QR5
| SpCas9 bound to FANCF off-target6 DNA substrate | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target6 non-target strand, ... | Authors: | Pacesa, M, Jinek, M. | Deposit date: | 2022-01-17 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
|
|
7QQP
| SpCas9 bound to AAVS1 off-target3 DNA substrate | Descriptor: | 1,2-ETHANEDIOL, AAVS1 off-target3 non-target strand, AAVS1 off-target3 target strand, ... | Authors: | Pacesa, M, JInek, M. | Deposit date: | 2022-01-10 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
|
|
7QQS
| SpCas9 bound to FANCF on-target DNA substrate | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, FANCF on-target non-target strand, FANCF on-target target strand, ... | Authors: | Pacesa, M, Jinek, M. | Deposit date: | 2022-01-10 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
|
|
7QQO
| SpCas9 bound to AAVS1 off-target1 DNA substrate | Descriptor: | AAVS1 off-target1 non-target strand, AAVS1 off-target1 target strand, AAVS1 sgRNA, ... | Authors: | Pacesa, M, Jinek, M. | Deposit date: | 2022-01-10 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
|
|
7QQQ
| SpCas9 bound to AAVS1 off-target4 DNA substrate | Descriptor: | 1,2-ETHANEDIOL, AAVS1 off-target4 non-target strand, AAVS1 off-target4 target strand, ... | Authors: | Pacesa, M, Jinek, M. | Deposit date: | 2022-01-10 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
|
|
7QQU
| SpCas9 bound to FANCF off-target2 DNA substrate | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target2 non-target strand, FANCF off-target2 target strand, ... | Authors: | Pacesa, M, Jinek, M. | Deposit date: | 2022-01-10 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
|
|
7QQX
| SpCas9 bound to FANCF off-target5 DNA substrate | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target5 non-target strand, FANCF off-target5 target strand, ... | Authors: | Pacesa, M, Jinek, M. | Deposit date: | 2022-01-10 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
|
|
7QQT
| SpCas9 bound to FANCF off-target1 DNA substrate | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target1 non-target strand, FANCF off-target1 target strand, ... | Authors: | Pacesa, M, Jinek, M. | Deposit date: | 2022-01-10 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
|
|