4K4F
 
 | | Co-crystal structure of TNKS1 with compound 18 [4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide] | | Descriptor: | 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-1, ZINC ION | | Authors: | Huang, X, Bregman, H, Wilson, C, DiMauro, E, Gunaydin, H. | | Deposit date: | 2013-04-12 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
|
|
4K4E
 | | Co-crystal structure of tnks1 with compound 52 [N~2-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide] | | Descriptor: | N~2~-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide, Tankyrase-1, ZINC ION | | Authors: | Huang, X. | | Deposit date: | 2013-04-12 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
|
|
7CJF
 | | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ... | | Authors: | Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z. | | Deposit date: | 2020-07-10 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.108 Å) | | Cite: | A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes.
Nat Commun, 12, 2021
|
|
5LN3
 | | The human 26S Proteasome at 6.8 Ang. | | Descriptor: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | | Authors: | Schweitzer, A, Beck, F, Sakata, E, Unverdorben, P. | | Deposit date: | 2016-08-03 | | Release date: | 2017-03-22 | | Last modified: | 2017-05-24 | | Method: | ELECTRON MICROSCOPY (6.8 Å) | | Cite: | Molecular Details Underlying Dynamic Structures and Regulation of the Human 26S Proteasome.
Mol. Cell Proteomics, 16, 2017
|
|
6KJZ
 | | Crystal structure of PDE4D catalytic domain complexed with compound 1 | | Descriptor: | 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | | Deposit date: | 2019-07-23 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.200001 Å) | | Cite: | Discovery and Optimization of alpha-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia.
J.Med.Chem., 63, 2020
|
|
6KK0
 | | Crystal structure of PDE4D catalytic domain complexed with compound 4e | | Descriptor: | 7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | | Deposit date: | 2019-07-23 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.20008755 Å) | | Cite: | Discovery and Optimization of alpha-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia.
J.Med.Chem., 63, 2020
|
|
6NBT
 | |
6OQ5
 | | Structure of the full-length Clostridium difficile toxin B in complex with 3 VHHs | | Descriptor: | 5D, 7F, E3, ... | | Authors: | Chen, P, Lam, K, Jin, R. | | Deposit date: | 2019-04-25 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.87 Å) | | Cite: | Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
|
|
6OQ6
 | |
6OQ8
 | |
6OQ7
 | | Structure of the GTD domain of Clostridium difficile toxin B in complex with VHH E3 | | Descriptor: | E3, MAGNESIUM ION, MANGANESE (II) ION, ... | | Authors: | Chen, P, Lam, K, Jin, R. | | Deposit date: | 2019-04-25 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
|
|
8J5Z
 | | The cryo-EM structure of the TwOSC1 tetramer | | Descriptor: | Terpene cyclase/mutase family member, octyl beta-D-glucopyranoside | | Authors: | Ma, X, Yuru, T, Yunfeng, L, Jiang, T. | | Deposit date: | 2023-04-24 | | Release date: | 2023-11-01 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (4.75 Å) | | Cite: | Structural and Catalytic Insight into the Unique Pentacyclic Triterpene Synthase TwOSC.
Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
3H1K
 | | Chicken cytochrome BC1 complex with ZN++ and an iodinated derivative of kresoxim-methyl bound | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, Coenzyme Q10, ... | | Authors: | Berry, E.A, Zhang, Z, Bellamy, H.D, Huang, L.S. | | Deposit date: | 2009-04-12 | | Release date: | 2009-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.48 Å) | | Cite: | Crystallographic location of two Zn(2+)-binding sites in the avian cytochrome bc(1) complex
Biochim.Biophys.Acta, 1459, 2000
|
|
4GMB
 | | Crystal structure of human WD repeat domain 5 with compound MM-402 | | Descriptor: | MM-402, WD repeat-containing protein 5 | | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | | Deposit date: | 2012-08-15 | | Release date: | 2014-02-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.781 Å) | | Cite: | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J.Med.Chem., 60, 2017
|
|
5YM3
 | | CYP76AH1-4pi from salvia miltiorrhiza | | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, Ferruginol synthase, MANGANESE (II) ION, ... | | Authors: | Chang, Z. | | Deposit date: | 2017-10-20 | | Release date: | 2018-10-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Crystal structure of CYP76AH1 in 4-PI-bound state from Salvia miltiorrhiza.
Biochem.Biophys.Res.Commun., 511, 2019
|
|
4RWB
 | | Racemic influenza M2-TM crystallized from monoolein lipidic cubic phase | | Descriptor: | Matrix protein 2, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate | | Authors: | Mortenson, D.E, Steinkruger, J.D, Kreitler, D.F, Gellman, S.H, Forest, K.T. | | Deposit date: | 2014-12-02 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-resolution structures of a heterochiral coiled coil.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4RWC
 | | Racemic M2-TM crystallized from racemic detergent | | Descriptor: | Matrix protein 2, octyl beta-D-glucopyranoside | | Authors: | Mortenson, D.E, Steinkruger, J.D, Kreitler, D.F, Gellman, S.H, Forest, K.T. | | Deposit date: | 2014-12-02 | | Release date: | 2015-10-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | High-resolution structures of a heterochiral coiled coil.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
6WNH
 | | Menin bound to inhibitor M-808 | | Descriptor: | Menin, methyl [(1S,2R)-2-{(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate, praseodymium triacetate | | Authors: | Stuckey, J.A. | | Deposit date: | 2020-04-22 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of M-808 as a Highly Potent, Covalent, Small-Molecule Inhibitor of the Menin-MLL Interaction with StrongIn VivoAntitumor Activity.
J.Med.Chem., 63, 2020
|
|
3H1J
 | | Stigmatellin-bound cytochrome bc1 complex from chicken | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, Coenzyme Q10, ... | | Authors: | Zhang, Z, Huang, L, Shulmeister, V.M, Chi, Y.-I, Kim, K.K, Hung, L.-W, Crofts, A.R, Berry, E.A, Kim, S.-H. | | Deposit date: | 2009-04-12 | | Release date: | 2009-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Electron Transfer by Domain Movement in Cytochrome Bc1
Nature, 392, 1998
|
|
2WQY
 | | Remodelling of carboxin binding to the Q-site of avian respiratory complex II | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, AZIDE ION, ... | | Authors: | Ruprecht, J, Iwata, S, Cecchini, G. | | Deposit date: | 2009-08-27 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Remodelling of Carboxin Binding to the Q-Site of Avian Respiratory Complex II
To be Published
|
|
3WBM
 | | Crystal Structure of protein-RNA complex | | Descriptor: | DNA/RNA-binding protein Alba 1, RNA (25-MER) | | Authors: | Ding, J, Wang, D.C. | | Deposit date: | 2013-05-20 | | Release date: | 2013-12-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biochemical and structural insights into RNA binding by Ssh10b, a member of the highly conserved Sac10b protein family in Archaea.
J.Biol.Chem., 289, 2014
|
|
1RAX
 | |
3DIM
 | |
3DJ2
 | |
3DIG
 | |
