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
|
|
4Y05
| KIF2C short Loop2 construct | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF2C, MAGNESIUM ION, ... | Authors: | Wang, W, Knossow, M, Gigant, B. | Deposit date: | 2015-02-05 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | New Insights into the Coupling between Microtubule Depolymerization and ATP Hydrolysis by Kinesin-13 Protein Kif2C. J.Biol.Chem., 290, 2015
|
|
7RQY
| Cryo-EM structure of the full-length TRPV1 with RTx at 25 degrees Celsius, in an open state, class B | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate, ... | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-08-08 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
|
|
7RQW
| Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in an open state, class III | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, ... | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-08-08 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
|
|
7RQV
| Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in an intermediate-closed state, class II | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-08-08 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
|
|
7RQU
| Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in a closed state, class I | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, SODIUM ION, ... | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-08-08 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
|
|
7RQX
| Cryo-EM structure of the full-length TRPV1 with RTx at 25 degrees Celsius, in an intermediate-open state, class A | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-08-08 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
|
|
7RQZ
| Cryo-EM structure of the full-length TRPV1 with RTx at 48 degrees Celsius, in an open state, class alpha | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate, ... | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-08-08 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
|
|
5ACY
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1-(2R,4S)-2-methyl-4-(phenylamino)-6-4-(piperidin-1-ylmethyl)phenyl-1,2,3,4- tetrahydroquinolin-1-yl-ethan-1-one | Descriptor: | 1,2-ETHANEDIOL, 1-[(2S,4R)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2H)-yl]ethanone, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Chung, C. | Deposit date: | 2015-08-18 | Release date: | 2015-10-07 | Last modified: | 2015-11-04 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Autism-Like Syndrome is Induced by Pharmacological Suppression of Bet Proteins in Young Mice. J.Exp.Med., 212, 2015
|
|
8TZ9
| |
8TZ2
| |
8TZD
| |
8TZ6
| |
6UDN
| Crystal Structure of a Self-Assembling DNA Scaffold Containing TA Sticky Ends and Rhombohedral Symmetry | Descriptor: | ARSENIC, DNA (5'-D(*TP*AP*CP*TP*GP*AP*CP*TP*CP*AP*TP*GP*CP*TP*CP*AP*TP*CP*TP*GP*A)-3'), DNA (5'-D(*TP*AP*TP*CP*AP*GP*AP*TP*G)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2019-09-19 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | A Self-Assembled Rhombohedral DNA Crystal Scaffold with Tunable Cavity Sizes and High-Resolution Structural Detail. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6U40
| Crystal Structure of a Self-Assembling DNA Crystal Scaffold with Rhombohedral Symmetry | Descriptor: | CACODYLATE ION, DNA (5'-D(*CP*AP*CP*TP*GP*AP*CP*TP*CP*AP*TP*GP*CP*TP*CP*AP*TP*CP*TP*GP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*AP*GP*AP*TP*G)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2019-08-22 | Release date: | 2020-08-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.702 Å) | Cite: | A Self-Assembled Rhombohedral DNA Crystal Scaffold with Tunable Cavity Sizes and High-Resolution Structural Detail. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6UEF
| Crystal Structure of a Self-Assembling DNA Scaffold Containing Sequence Modifications to Attempt to Disrupt Crystal Contacts in a Rhombohedral Lattice. | Descriptor: | DNA (5'-D(*CP*AP*AP*TP*GP*AP*CP*TP*CP*AP*TP*GP*CP*TP*CP*AP*TP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*GP*AP*TP*G)-3'), DNA (5'-D(P*AP*GP*CP*AP*TP*GP*A)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2019-09-20 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | A Self-Assembled Rhombohedral DNA Crystal Scaffold with Tunable Cavity Sizes and High-Resolution Structural Detail. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
8TZ3
| |
8TZ7
| |
8TAN
| CryoEM structure of MFRV-VILP bound to IGF1Rzip | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin-like growth factor, ... | Authors: | Kirk, N.S. | Deposit date: | 2023-06-27 | Release date: | 2024-01-17 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | A viral insulin-like peptide inhibits IGF-1 receptor phosphorylation and regulates IGF1R gene expression. Mol Metab, 80, 2024
|
|
8TZ5
| |
8TZA
| |
8TZ8
| |
8TZ1
| |
8TZ4
| Cryo-EM structure of bovine concentrative nucleoside transporter 3 in complex with GS-441524, subset reconstruction | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile, Sodium/nucleoside cotransporter | Authors: | Wright, N.J, Lee, S.-Y. | Deposit date: | 2023-08-26 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Antiviral drug recognition and elevator-type transport motions of CNT3. Nat.Chem.Biol., 2024
|
|