6MI3
 
 | | Structure of NEMO(51-112) with N- and C-terminal coiled-coil adaptors. | | Descriptor: | NF-kB ESSENTIAL MODULATOR,NF-kappa-B essential modulator,NF-kB ESSENTIAL MODULATOR | | Authors: | Pellegrini, M, Barczewski, A.H, Mierke, D.F, Ragusa, M.J. | | Deposit date: | 2018-09-19 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.783 Å) | | Cite: | The IKK-binding domain of NEMO is an irregular coiled coil with a dynamic binding interface.
Sci Rep, 9, 2019
|
|
6LXD
 | | Pri-miRNA bound DROSHA-DGCR8 complex | | Descriptor: | Microprocessor complex subunit DGCR8, RNA (102-mer), Ribonuclease 3, ... | | Authors: | Jin, W, Wang, J, Liu, C.P, Wang, H.W, Xu, R.M. | | Deposit date: | 2020-02-10 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural Basis for pri-miRNA Recognition by Drosha.
Mol.Cell, 78, 2020
|
|
6LXE
 | | DROSHA-DGCR8 complex | | Descriptor: | Microprocessor complex subunit DGCR8, Ribonuclease 3, ZINC ION | | Authors: | Jin, W, Wang, J, Liu, C.P, Wang, H.W, Xu, R.M. | | Deposit date: | 2020-02-10 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural Basis for pri-miRNA Recognition by Drosha.
Mol.Cell, 78, 2020
|
|
6MI4
 | |
5H08
 | | Human PTPRZ D1 domain complexed with NAZ2329 | | Descriptor: | 3-{[2-Ethoxy-5-(trifluoromethyl)benzyl]sulfanyl}-N-(phenylsulfonyl)thiophene-2-carboxamide, Receptor-type tyrosine-protein phosphatase zeta | | Authors: | Sugawara, H. | | Deposit date: | 2016-10-04 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Targeting PTPRZ inhibits stem cell-like properties and tumorigenicity in glioblastoma cells
Sci Rep, 7, 2017
|
|
8HTR
 | | Crystal structure of Bcl2 in complex with S-9c | | Descriptor: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
|
|
8HTS
 | | Crystal structure of Bcl2 in complex with S-10r | | Descriptor: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
|
|
7L7A
 | | Solution Structure of NuxVA | | Descriptor: | NuxVA | | Authors: | Mari, F, Dovell, S. | | Deposit date: | 2020-12-28 | | Release date: | 2021-01-13 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Conus venom fractions inhibit the adhesion of Plasmodium falciparum erythrocyte membrane protein 1 domains to the host vascular receptors.
J Proteomics, 234, 2020
|
|
7M0I
 | |
6M4B
 | |
7K73
 | |
7U0O
 | |
6NNJ
 | |
6NNF
 | |
6NM6
 | |
5V5N
 | | Crystal structure of Takinib bound to TAK1 | | Descriptor: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide | | Authors: | Gurbani, D, Westover, K, Bera, A.K. | | Deposit date: | 2017-03-14 | | Release date: | 2017-08-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.006 Å) | | Cite: | Takinib, a Selective TAK1 Inhibitor, Broadens the Therapeutic Efficacy of TNF-alpha Inhibition for Cancer and Autoimmune Disease.
Cell Chem Biol, 24, 2017
|
|
7M42
 | | Complex of SARS-CoV-2 receptor binding domain with the Fab fragments of neutralizing antibodies REGN10985 and REGN10989 | | Descriptor: | REGN10985 antibody Fab fragment heavy chain, REGN10985 antibody Fab fragment light chain, REGN10989 antibody Fab fragment heavy chain, ... | | Authors: | Zhou, Y, Romero Hernandez, A, Saotome, K, Franklin, M.C. | | Deposit date: | 2021-03-19 | | Release date: | 2021-07-28 | | Last modified: | 2021-08-25 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The monoclonal antibody combination REGEN-COV protects against SARS-CoV-2 mutational escape in preclinical and human studies.
Cell, 184, 2021
|
|
4TUY
 | | Tubulin-Rhizoxin complex | | Descriptor: | (1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Prota, A.E, Bargsten, K, Diaz, J.F, Marsh, M, Cuevas, C, Liniger, M, Neuhaus, C, Andreu, J.M, Altmann, K.H, Steinmetz, M.O. | | Deposit date: | 2014-06-25 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A new tubulin-binding site and pharmacophore for microtubule-destabilizing anticancer drugs.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
2MAU
 | |
4QIB
 | | Oxidation-Mediated Inhibition of the Peptidyl-Prolyl Isomerase Pin1 | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION | | Authors: | Innes, B.T, Sowole, M.A, Konermann, L, Litchfield, D.W, Brandl, C.J, Shilton, B.H. | | Deposit date: | 2014-05-30 | | Release date: | 2015-02-04 | | Last modified: | 2015-03-04 | | Method: | X-RAY DIFFRACTION (1.865 Å) | | Cite: | Peroxide-mediated oxidation and inhibition of the peptidyl-prolyl isomerase Pin1.
Biochim.Biophys.Acta, 1852, 2015
|
|
6C00
 | |
4NCE
 | | Influenza polymerase basic protein 2 (PB2) bound to 7-methyl-GTP | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid, Polymerase basic protein 2 | | Authors: | Jacobs, M.D. | | Deposit date: | 2013-10-24 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
|
|
4P1U
 | |
4NCM
 | | Influenza polymerase basic protein 2 (PB2) bound to a small-molecule inhibitor | | Descriptor: | N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide, Polymerase basic protein 2 | | Authors: | Jacobs, M.D. | | Deposit date: | 2013-10-24 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
|
|
7P4U
 | |
