4HGT
 
 | | Crystal structure of ck1d with compound 13 | | Descriptor: | 2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform delta | | Authors: | Huang, X. | | Deposit date: | 2012-10-08 | | Release date: | 2012-11-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Based Design of Potent and Selective CK1 gamma Inhibitors.
ACS Med Chem Lett, 3, 2012
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4HGL
 | | Crystal structure of ck1g3 with compound 1 | | Descriptor: | 2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform gamma-3, SULFATE ION | | Authors: | Huang, X. | | Deposit date: | 2012-10-08 | | Release date: | 2012-11-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Based Design of Potent and Selective CK1 gamma Inhibitors.
ACS Med Chem Lett, 3, 2012
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6E1A
 | | Menin bound to M-89 | | Descriptor: | (1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate, Menin, praseodymium triacetate | | Authors: | Stuckey, J.A. | | Deposit date: | 2018-07-09 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
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5CHL
 | | Structural basis of H2A.Z recognition by YL1 histone chaperone component of SRCAP/SWR1 chromatin remodeling complex | | Descriptor: | Histone H2A.Z, Vacuolar protein sorting-associated protein 72 homolog | | Authors: | Shan, S, Liang, X, Pan, L, Wu, C, Zhou, Z. | | Deposit date: | 2015-07-10 | | Release date: | 2016-03-09 | | Last modified: | 2017-09-27 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Structural basis of H2A.Z recognition by SRCAP chromatin-remodeling subunit YL1
Nat.Struct.Mol.Biol., 23, 2016
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8YM1
 | | Structure of SADS-CoV Virus Nucleocapsid Protein | | Descriptor: | nucleocapsid phosphoprotein | | Authors: | Zhang, Y, Wu, F, Xu, W. | | Deposit date: | 2024-03-08 | | Release date: | 2024-07-24 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unraveling the assembly mechanism of SADS-CoV virus nucleocapsid protein: insights from RNA binding, dimerization, and epitope diversity profiling.
J.Virol., 98, 2024
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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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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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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: | 2024-10-16 | | 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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1F4V
 | | CRYSTAL STRUCTURE OF ACTIVATED CHEY BOUND TO THE N-TERMINUS OF FLIM | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, CHEMOTAXIS CHEY PROTEIN, FLAGELLAR MOTOR SWITCH PROTEIN, ... | | Authors: | Lee, S.Y, Cho, H.S, Pelton, J.G, Yan, D, Henderson, R.K, King, D, Huang, L.S, Kustu, S, Berry, E.A, Wemmer, D.E. | | Deposit date: | 2000-06-10 | | Release date: | 2001-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Crystal structure of an activated response regulator bound to its target.
Nat.Struct.Biol., 8, 2001
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5BPP
 | | Structure of human Leukotriene A4 hydrolase in complex with inhibitor 4AZ | | Descriptor: | 2-(4-butoxyphenyl)-N-hydroxyacetamide, ACETATE ION, Leukotriene A-4 hydrolase, ... | | Authors: | Huang, J, Dong, N.N, Xiao, Q, Ou, P.Y, Wu, D, Lu, W.Q. | | Deposit date: | 2015-05-28 | | Release date: | 2016-08-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Bufexamac ameliorates LPS-induced acute lung injury in mice by targeting LTA4H
Sci Rep, 6, 2016
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5WUK
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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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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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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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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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4WYH
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8IOF
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8ID1
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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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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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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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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
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7QXX
 | | Proteasome-ZFAND5 Complex Z+E state | | Descriptor: | 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, 26S protease regulatory subunit 7, ... | | Authors: | Zhu, Y, Lu, Y. | | Deposit date: | 2022-01-27 | | Release date: | 2023-02-08 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Molecular mechanism for activation of the 26S proteasome by ZFAND5.
Mol.Cell, 83, 2023
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7QY7
 | | Proteasome-ZFAND5 Complex Z-A state | | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | | Authors: | Zhu, Y, Lu, Y. | | Deposit date: | 2022-01-27 | | Release date: | 2023-02-08 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Molecular mechanism for activation of the 26S proteasome by ZFAND5.
Mol.Cell, 83, 2023
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7QXP
 | | Proteasome-ZFAND5 Complex Z+B state | | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | | Authors: | Zhu, Y, Lu, Y. | | Deposit date: | 2022-01-26 | | Release date: | 2023-02-08 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular mechanism for activation of the 26S proteasome by ZFAND5.
Mol.Cell, 83, 2023
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