5P7D
| |
5P7T
| |
5P86
| |
5P8L
| |
5NLK
| Crystal structure of CREBBP bromodomain complexd with US13A | Descriptor: | CREB-binding protein, ~{N}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2017-04-04 | Release date: | 2018-02-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple). ACS Cent Sci, 4, 2018
|
|
7ALR
| Crystal structure of TD1-gatorbulin1 complex | Descriptor: | (2~{R})-2-oxidanyl-2-[(6~{S},9~{S},12~{S},15~{S},17~{S})-6,10,12,17-tetramethyl-3-methylidene-7-oxidanyl-2,5,8,11,14-pentakis(oxidanylidene)-13-oxa-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-9-yl]ethanamide, Designed Ankyrin Repeat Protein (DARPIN) D1, GLYCEROL, ... | Authors: | Oliva, M.A, Diaz, J.F. | Deposit date: | 2020-10-07 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Gatorbulin-1, a distinct cyclodepsipeptide chemotype, targets a seventh tubulin pharmacological site. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
5Y0I
| Solution structure of arenicin-3 derivative N1 | Descriptor: | NZ17074(N1) | Authors: | Liu, X.H, Wang, J.H. | Deposit date: | 2017-07-17 | Release date: | 2017-07-26 | Method: | SOLUTION NMR | Cite: | Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis Sci Rep, 7, 2017
|
|
1OLP
| Alpha Toxin from Clostridium Absonum | Descriptor: | ALPHA-TOXIN, CALCIUM ION, ZINC ION | Authors: | Briggs, D.C, Basak, A.K. | Deposit date: | 2003-08-11 | Release date: | 2003-10-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Clostridium Absonum Alpha-Toxin: New Insights Into Clostridial Phospholipase C Substrate Binding and Specificity J.Mol.Biol., 333, 2003
|
|
8WY7
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 22 | Descriptor: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 4 | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | Deposit date: | 2023-10-30 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia. J.Med.Chem., 67, 2024
|
|
8WY3
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 21 | Descriptor: | Bromodomain-containing protein 4, ~{N}-cyclopropyl-2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]ethanamide | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | Deposit date: | 2023-10-30 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia. J.Med.Chem., 67, 2024
|
|
8WYG
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor 22 | Descriptor: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 2 | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | Deposit date: | 2023-10-30 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia. J.Med.Chem., 67, 2024
|
|
8WXY
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 23 | Descriptor: | 5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-4-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]pyridin-2-one, Bromodomain-containing protein 4, GLYCEROL | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | Deposit date: | 2023-10-30 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia. J.Med.Chem., 67, 2024
|
|
6VKL
| Negative stain reconstruction of the yeast exocyst octameric complex. | Descriptor: | Exocyst complex component EXO70, Exocyst complex component EXO84, Exocyst complex component SEC10, ... | Authors: | Frost, A, Munson, M. | Deposit date: | 2020-01-21 | Release date: | 2020-07-29 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (15 Å) | Cite: | Exocyst structural changes associated with activation of tethering downstream of Rho/Cdc42 GTPases. J. Cell Biol., 219, 2020
|
|
1BI9
| RETINAL DEHYDROGENASE TYPE TWO WITH NAD BOUND | Descriptor: | CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, RETINAL DEHYDROGENASE TYPE II | Authors: | Newcomer, M.E, Lamb, A.L. | Deposit date: | 1998-06-23 | Release date: | 1999-07-22 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The structure of retinal dehydrogenase type II at 2.7 A resolution: implications for retinal specificity. Biochemistry, 38, 1999
|
|
8WUL
| Crystal structure of affinity enhanced TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) | Descriptor: | Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen, ... | Authors: | Zhang, M.Y, Luo, L.J, Xu, W, Guan, F.H, Wang, X.Y, Zhu, P, Zhang, J.H, Zhou, X.Y, Wang, F, Ye, S. | Deposit date: | 2023-10-20 | Release date: | 2024-05-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen. Commun Biol, 7, 2024
|
|
8WTE
| Crystal structure of TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) | Descriptor: | Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen (Fragment), ... | Authors: | Zhang, M.Y, Luo, L.J, Xu, W, Guan, F.H, Wang, X.Y, Zhu, P, Zhang, J.H, Zhou, X.Y, Wang, F, Ye, S. | Deposit date: | 2023-10-18 | Release date: | 2024-05-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen. Commun Biol, 7, 2024
|
|
5GQQ
| Structure of ALG-2/HEBP2 Complex | Descriptor: | CALCIUM ION, CHLORIDE ION, Heme-binding protein 2, ... | Authors: | Liu, X, Ma, J, Zhang, H, Feng, Y. | Deposit date: | 2016-08-08 | Release date: | 2016-11-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Functional Study of Apoptosis-linked Gene-2Heme-binding Protein 2 Interactions in HIV-1 Production. J. Biol. Chem., 291, 2016
|
|
7BTA
| Crystal structure of Rheb D60K mutant bound to GDP | Descriptor: | GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION | Authors: | Zhang, C, Zhang, T, Ding, J. | Deposit date: | 2020-03-31 | Release date: | 2020-06-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular basis for the functions of dominantly active Y35N and inactive D60K Rheb mutants in mTORC1 signaling. J Mol Cell Biol, 12, 2020
|
|
7BTC
| Crystal structure of Rheb Y35N mutant bound to GDP | Descriptor: | GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE | Authors: | Zhang, C, Zhang, T, Ding, J. | Deposit date: | 2020-04-01 | Release date: | 2020-06-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Molecular basis for the functions of dominantly active Y35N and inactive D60K Rheb mutants in mTORC1 signaling. J Mol Cell Biol, 12, 2020
|
|
5NXS
| |
7BTD
| Crystal structure of Rheb Y35N mutant bound to GppNHp | Descriptor: | GTP-binding protein Rheb, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Zhang, C, Zhang, T, Ding, J. | Deposit date: | 2020-04-01 | Release date: | 2020-06-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis for the functions of dominantly active Y35N and inactive D60K Rheb mutants in mTORC1 signaling. J Mol Cell Biol, 12, 2020
|
|
5Y0H
| Solution structure of arenicin-3 derivative N6 | Descriptor: | N6 | Authors: | Liu, X.H, Wang, J.H. | Deposit date: | 2017-07-17 | Release date: | 2017-07-26 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis Sci Rep, 7, 2017
|
|
5Y0J
| Solution structure of arenicin-3 derivative N2 | Descriptor: | N2 | Authors: | Liu, X.H, Wang, J.H. | Deposit date: | 2017-07-17 | Release date: | 2017-07-26 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis Sci Rep, 7, 2017
|
|
5NTU
| Crystal Structure of human Pro-myostatin Precursor at 2.6 A Resolution | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Growth/differentiation factor 8 | Authors: | Cotton, T.R, Fischer, G, Hyvonen, M. | Deposit date: | 2017-04-28 | Release date: | 2018-01-17 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structure of the human myostatin precursor and determinants of growth factor latency. EMBO J., 37, 2018
|
|
5UOR
| Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure | Descriptor: | 6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one, Mitogen-activated protein kinase kinase kinase 5, SULFATE ION | Authors: | Dougan, D.R. | Deposit date: | 2017-02-01 | Release date: | 2017-06-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure. ACS Med Chem Lett, 8, 2017
|
|