4W6E
 
 | | Human Tankyrase 1 with small molecule inhibitor | | Descriptor: | 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION | | Authors: | Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T. | | Deposit date: | 2014-08-20 | | Release date: | 2015-05-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
|
|
6VIK
 | |
6VIH
 | | The ligand-free structure of mouse RABL3 | | Descriptor: | Rab-like protein 3 | | Authors: | Su, L, Tomchick, D.R, Beutler, B. | | Deposit date: | 2020-01-13 | | Release date: | 2020-04-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.993 Å) | | Cite: | Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6VIJ
 | | Crystal structure of mouse RABL3 in complex with GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rab-like protein 3 | | Authors: | Su, L, Tomchick, D.R, Beutler, B. | | Deposit date: | 2020-01-13 | | Release date: | 2020-04-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
9IK2
 | | The co-crystal structure of SARS-CoV-2 Mpro in complex with compound H109 | | Descriptor: | 3C-like proteinase, tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-azanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | | Authors: | Feng, Y, Zheng, W.Y, Han, P, Fu, L.F, Qi, J.X. | | Deposit date: | 2024-06-26 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-guided discovery of a small molecule inhibitor of SARS-CoV-2 main protease with potent in vitro and in vivo antiviral activities
To Be Published
|
|
5IXY
 | | Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 31: (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one | | Descriptor: | (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Chen, Z, Eigenbrot, C. | | Deposit date: | 2016-03-23 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.
Acs Med.Chem.Lett., 7, 2016
|
|
5IXS
 | | Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 9: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one | | Descriptor: | (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Ultsch, M, Eigenbrot, C. | | Deposit date: | 2016-03-23 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.
Acs Med.Chem.Lett., 7, 2016
|
|
5JO5
 | |
8H59
 | | A fungal MAP kinase in complex with an inhibitor | | Descriptor: | Mitogen-activated protein kinase MPS1, ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide | | Authors: | Kong, Z, Zhang, X, Wang, D, Liu, J. | | Deposit date: | 2022-10-12 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-Aided Identification of an Inhibitor Targets Mps1 for the Management of Plant-Pathogenic Fungi.
Mbio, 14, 2023
|
|
2K7G
 | | Solution Structure of varv F | | Descriptor: | Varv peptide F | | Authors: | Wang, C.K. | | Deposit date: | 2008-08-10 | | Release date: | 2009-02-10 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Combined X-ray and NMR analysis of the stability of the cyclotide cystine knot fold that underpins its insecticidal activity and potential use as a drug scaffold
J.Biol.Chem., 284, 2009
|
|
6VIE
 | | Structure of caspase-1 in complex with gasdermin D | | Descriptor: | Caspase-1 subunit p10, Caspase-1 subunit p20, Gasdermin-D | | Authors: | Liu, Z, Xiao, T.S. | | Deposit date: | 2020-01-13 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Caspase-1 Engages Full-Length Gasdermin D through Two Distinct Interfaces That Mediate Caspase Recruitment and Substrate Cleavage.
Immunity, 53, 2020
|
|
8C3Y
 | |
5J9U
 | | Crystal structure of the NuA4 core complex | | Descriptor: | Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, Enhancer of polycomb-like protein 1, ... | | Authors: | Chen, Z.C, Xu, P. | | Deposit date: | 2016-04-11 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism
Mol.Cell, 63, 2016
|
|
8C44
 | | HB3VAR03 apo headstructure (PfEMP1 A) complexed with EPCR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Endothelial protein C receptor, PHOSPHATIDYLETHANOLAMINE, ... | | Authors: | Raghavan, S.S.R, Lavstsen, T, Wang, K.T. | | Deposit date: | 2022-12-31 | | Release date: | 2023-08-16 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Endothelial protein C receptor binding induces conformational changes to severe malaria-associated group A PfEMP1.
Structure, 31, 2023
|
|
3JCO
 | | Structure of yeast 26S proteasome in M1 state derived from Titan dataset | | Descriptor: | 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ... | | Authors: | Luan, B, Huang, X.L, Wu, J.P, Shi, Y.G, Wang, F. | | Deposit date: | 2016-01-06 | | Release date: | 2016-06-15 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Structure of an endogenous yeast 26S proteasome reveals two major conformational states.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
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
|
|
3K99
 | | HSP90 N-terminal domain in complex with 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol | | Descriptor: | 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | | Authors: | Gajiwala, K.S, Davies II, J.F. | | Deposit date: | 2009-10-15 | | Release date: | 2010-02-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
|
|
8HQ8
 | | Bry-LHCII homotrimer of Bryopsis corticulans | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Li, Z.H, Shen, J.R, Wang, W.D. | | Deposit date: | 2022-12-13 | | Release date: | 2023-09-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and functional properties of different types of siphonous LHCII trimers from an intertidal green alga Bryopsis corticulans.
Structure, 31, 2023
|
|
8HPD
 | | Bry-LHCII heterotrimer of Bryopsis corticulans | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, CHLOROPHYLL A, ... | | Authors: | Li, Z.H, Shen, J.R, Wang, W.D. | | Deposit date: | 2022-12-12 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Structural and functional properties of different types of siphonous LHCII trimers from an intertidal green alga Bryopsis corticulans.
Structure, 31, 2023
|
|
8HLV
 | | Bry-LHCII homotrimer of Bryopsis corticulans | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, CHLOROPHYLL A, ... | | Authors: | Li, Z.H, Shen, J.R, Wang, W.D. | | Deposit date: | 2022-12-01 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | Structural and functional properties of different types of siphonous LHCII trimers from an intertidal green alga Bryopsis corticulans.
Structure, 31, 2023
|
|
8HIJ
 | | The 5-MTHF-bound BRIL-SLC19A1/Fab/Nb ternary complex | | Descriptor: | Anti-BRIL Fab heavy chain, Anti-BRIL Fab light chain, Anti-Fab nanobody, ... | | Authors: | Zhang, Z, Dang, Y. | | Deposit date: | 2022-11-20 | | Release date: | 2022-12-21 | | Last modified: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Molecular mechanism of substrate recognition by folate transporter SLC19A1.
Cell Discov, 8, 2022
|
|
8HIK
 | | The TPP-bound BRIL-SLC19A1/Fab/Nb ternary complex | | Descriptor: | Anti-BRIL Fab heavy chain, Anti-BRIL Fab light chain, Anti-Fab nanobody, ... | | Authors: | Zhang, Z, Dang, Y. | | Deposit date: | 2022-11-20 | | Release date: | 2022-12-21 | | Last modified: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Molecular mechanism of substrate recognition by folate transporter SLC19A1.
Cell Discov, 8, 2022
|
|
8HII
 | | The BRIL-SLC19A1/Fab/Nb ternary complex | | Descriptor: | BRIL-SLC19A1 chimera, anti-BRIL Fab heavy chain, anti-BRIL Fab light chain, ... | | Authors: | Zhang, Z, Dang, Y. | | Deposit date: | 2022-11-20 | | Release date: | 2022-12-21 | | Last modified: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (3.57 Å) | | Cite: | Molecular mechanism of substrate recognition by folate transporter SLC19A1.
Cell Discov, 8, 2022
|
|
8HKX
 | |
8HKY
 | |
