6XK9
 
 | | Cereblon in complex with DDB1, CC-90009, and GSPT1 | | Descriptor: | 2-(4-chlorophenyl)-N-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)-2,2-difluoroacetamide, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ... | | Authors: | Clayton, T.L, Tran, E.T, Zhu, J, Pagarigan, B.E, Matyskiela, M.E, Chamberlain, P.P. | | Deposit date: | 2020-06-25 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.64 Å) | | Cite: | CC-90009, a novel cereblon E3 ligase modulator, targets acute myeloid leukemia blasts and leukemia stem cells.
Blood, 137, 2021
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3LGZ
 | | Crystal structure of dehydrosqualene synthase Y129A from S. aureus complexed with presqualene pyrophosphate | | Descriptor: | Dehydrosqualene synthase, MAGNESIUM ION, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | | Authors: | Lin, F.-Y, Liu, Y.-L, Liu, C.-I, Wang, A.H.J, Oldfield, E. | | Deposit date: | 2010-01-21 | | Release date: | 2010-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3ADZ
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with intermediate PSPP | | Descriptor: | Dehydrosqualene synthase, MAGNESIUM ION, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | | Deposit date: | 2010-01-31 | | Release date: | 2010-11-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3AE0
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with geranylgeranyl thiopyrophosphate | | Descriptor: | Dehydrosqualene synthase, MAGNESIUM ION, phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | | Deposit date: | 2010-01-31 | | Release date: | 2010-11-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3ACW
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-651 | | Descriptor: | (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | | Deposit date: | 2010-01-13 | | Release date: | 2010-11-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
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3ACY
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-702 | | Descriptor: | (1R)-4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid, Dehydrosqualene synthase, MAGNESIUM ION | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | | Deposit date: | 2010-01-13 | | Release date: | 2010-11-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
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3ACX
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-673 | | Descriptor: | Dehydrosqualene synthase, N-(1-methylethyl)-3-[(3-prop-2-en-1-ylbiphenyl-4-yl)oxy]propan-1-amine | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | | Deposit date: | 2010-01-13 | | Release date: | 2010-11-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
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4FZA
 | | Crystal structure of MST4-MO25 complex | | Descriptor: | Calcium-binding protein 39, GLYCEROL, Serine/threonine-protein kinase MST4 | | Authors: | Shi, Z.B, Zhou, Z.C. | | Deposit date: | 2012-07-06 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
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4FZF
 | | Crystal structure of MST4-MO25 complex with DKI | | Descriptor: | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Calcium-binding protein 39, Serine/threonine-protein kinase MST4 | | Authors: | Shi, Z.B, Zhou, Z.C. | | Deposit date: | 2012-07-06 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.64 Å) | | Cite: | Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
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7WG6
 | | Neutral Omicron Spike Trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Cui, Z, Wang, X. | | Deposit date: | 2021-12-28 | | Release date: | 2022-05-18 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
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7WGB
 | | Neutral Omicron Spike Trimer in complex with ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Cui, Z. | | Deposit date: | 2021-12-28 | | Release date: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
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7WGC
 | | Neutral Omicron Spike Trimer in complex with ACE2. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Cui, Z. | | Deposit date: | 2021-12-28 | | Release date: | 2022-06-22 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
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7WG7
 | | Acidic Omicron Spike Trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Cui, Z. | | Deposit date: | 2021-12-28 | | Release date: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
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7WG8
 | | Delta Spike Trimer(3 RBD Down) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Cui, Z. | | Deposit date: | 2021-12-28 | | Release date: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
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7WG9
 | | Delta Spike Trimer(1 RBD Up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Cui, Z. | | Deposit date: | 2021-12-28 | | Release date: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
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5AEL
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-597 | | Descriptor: | FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, {2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate) | | Authors: | Yang, G, Oldfield, E, No, J.H. | | Deposit date: | 2014-12-26 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
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8W9A
 | | CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-7909 binding at an allosteric site | | Descriptor: | 6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Huang, X, Ren, X, Zhong, W. | | Deposit date: | 2023-09-05 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop.
Structure, 2024
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8W9B
 | | CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-8557 binding at an allosteric site | | Descriptor: | 1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Huang, X, Ren, X, Zhong, W. | | Deposit date: | 2023-09-05 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop.
Structure, 2024
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4FZD
 | | Crystal structure of MST4-MO25 complex with WSF motif | | Descriptor: | C-terminal peptide from Serine/threonine-protein kinase MST4, Calcium-binding protein 39, GLYCEROL, ... | | Authors: | Shi, Z.B, Zhou, Z.C. | | Deposit date: | 2012-07-06 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
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3TH8
 | | Structure of E. coli undecaprenyl diphosphate synthase complexed with BPH-1063 | | Descriptor: | (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase | | Authors: | Cao, R, Zhu, W, Zhang, Y, Oldfield, E. | | Deposit date: | 2011-08-18 | | Release date: | 2012-07-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.114 Å) | | Cite: | HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
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6D2L
 | | Crystal structure of human CARM1 with (S)-SKI-72 | | Descriptor: | (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | | Authors: | DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-04-13 | | Release date: | 2018-05-23 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
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3LBL
 | | Structure of human MDM2 protein in complex with Mi-63-analog | | Descriptor: | (2'R,3R,4'R,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A. | | Deposit date: | 2010-01-08 | | Release date: | 2010-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery
Cell Cycle, 9, 2010
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3LBK
 | | Structure of human MDM2 protein in complex with a small molecule inhibitor | | Descriptor: | 6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A. | | Deposit date: | 2010-01-08 | | Release date: | 2010-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery
Cell Cycle, 9, 2010
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3LEE
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3LBJ
 | | Structure of human MDMX protein in complex with a small molecule inhibitor | | Descriptor: | N-[(3S)-1-({6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indol-2-yl}carbonyl)pyrrolidin-3-yl]-N,N',N'-trimethylpropane-1,3-diamine, Protein Mdm4, SULFATE ION | | Authors: | Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A. | | Deposit date: | 2010-01-08 | | Release date: | 2010-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery
Cell Cycle, 9, 2010
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