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
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7ML7
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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
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5DH3
| Crystal structure of MST2 in complex with XMU-MP-1 | Descriptor: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SULFATE ION, ... | Authors: | Kong, L.L, Yun, C.H. | Deposit date: | 2015-08-29 | Release date: | 2016-08-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.468 Å) | Cite: | Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration Sci Transl Med, 8, 2016
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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
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2OK3
| X-ray structure of human cyclophilin J at 2.0 angstrom | Descriptor: | NICKEL (II) ION, Peptidyl-prolyl cis-trans isomerase-like 3 | Authors: | Xia, Z. | Deposit date: | 2007-01-15 | Release date: | 2008-01-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Targeting Cyclophilin J, a novel peptidyl-prolyl isomerase, can induce cellular G1/S arrest and repress the growth of Hepatocellular carcinoma To be Published
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1Y9X
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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
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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
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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
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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
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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
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6B41
| Menin bound to M-525 | Descriptor: | Menin, methyl {(1S,2R)-2-[(S)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate, praseodymium triacetate | Authors: | Stuckey, J.A. | Deposit date: | 2017-09-25 | Release date: | 2018-01-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Design of the First-in-Class, Highly Potent Irreversible Inhibitor Targeting the Menin-MLL Protein-Protein Interaction. Angew. Chem. Int. Ed. Engl., 57, 2018
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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
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5VFC
| WDR5 bound to inhibitor MM-589 | Descriptor: | 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ... | Authors: | Stuckey, J.A. | Deposit date: | 2017-04-07 | Release date: | 2017-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.64 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
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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: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (6.8 Å) | Cite: | Molecular Details Underlying Dynamic Structures and Regulation of the Human 26S Proteasome. Mol. Cell Proteomics, 16, 2017
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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
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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
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6OQ6
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6OQ8
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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
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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
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1RAX
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6C6N
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6C6R
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