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8STH
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BU of 8sth by Molmil
human STING with diABZI agonist 15
Descriptor: 1-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazole-5-carboxamide, Stimulator of interferon genes protein
Authors:Duvall, J.R, Bukhalid, R.A.
Deposit date:2023-05-10
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates.
J.Med.Chem., 66, 2023
8STI
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BU of 8sti by Molmil
human STING with agonist XMT-1616
Descriptor: 3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide, Stimulator of interferon genes protein
Authors:Duvall, J.R, Bukhalid, R.A.
Deposit date:2023-05-10
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates.
J.Med.Chem., 66, 2023
8DEY
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BU of 8dey by Molmil
Ternary complex structure of Cereblon-DDB1 bound to IKZF2(ZF2,3) and the molecular glue DKY709
Descriptor: (3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Ma, X, Ornelas, E, Clifton, M.C.
Deposit date:2022-06-21
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy.
Cell Chem Biol, 30, 2023
8JHB
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BU of 8jhb by Molmil
FZD6 Gs complex
Descriptor: Frizzled-6, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, F, Zhang, Z.
Deposit date:2023-05-23
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
8JHI
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BU of 8jhi by Molmil
FZD3-Gs complex
Descriptor: Frizzled-3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, F, Zhang, Z.
Deposit date:2023-05-23
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
8JH7
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BU of 8jh7 by Molmil
FZD6 in inactive state
Descriptor: Frizzled-6,Soluble cytochrome b562, anti-BRIL Fab Heavy chain, anti-BRIL Fab Light chain, ...
Authors:Xu, F, Zhang, Z.
Deposit date:2023-05-22
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
8JHC
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BU of 8jhc by Molmil
FZD3 in inactive state
Descriptor: Frizzled-3,Soluble cytochrome b562, anti-BRIL Fab Heavy chain, anti-BRIL Fab Light chain, ...
Authors:Xu, F, Zhang, Z.
Deposit date:2023-05-23
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
8J9N
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BU of 8j9n by Molmil
Gq bound FZD1 in ligand-free state
Descriptor: Frizzled-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Lin, X, Xu, F.
Deposit date:2023-05-04
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
8J9O
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BU of 8j9o by Molmil
Cryo-EM structure of inactive FZD1
Descriptor: Frizzled-1,Soluble cytochrome b562, anti-BRIL Fab Heavy Chain, anti-BRIL Fab Light Chain, ...
Authors:Lin, X, Xu, F.
Deposit date:2023-05-04
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
8U5L
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BU of 8u5l by Molmil
MAU868, a novel human-derived monoclonal neutralizing antibody targeting BK virus VP1
Descriptor: Capsid protein VP1, scFv fragment of the monoclonal antibody MAU868
Authors:Knapp, M.S, Ornelas, E.
Deposit date:2023-09-12
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Nonclinical and clinical characterization of MAU868, a novel human-derived monoclonal neutralizing antibody targeting BK polyomavirus VP1.
Am J Transplant, 2024
1IAS
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BU of 1ias by Molmil
CYTOPLASMIC DOMAIN OF UNPHOSPHORYLATED TYPE I TGF-BETA RECEPTOR CRYSTALLIZED WITHOUT FKBP12
Descriptor: SULFATE ION, TGF-BETA RECEPTOR TYPE I
Authors:Huse, M, Muir, T.W, Chen, Y.-G, Kuriyan, J, Massague, J.
Deposit date:2001-03-23
Release date:2001-10-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The TGF beta receptor activation process: an inhibitor- to substrate-binding switch.
Mol.Cell, 8, 2001
8VB1
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BU of 8vb1 by Molmil
Crystal structure of HIV-1 protease with GS-9770
Descriptor: (2S)-2-{(3M)-4-chloro-3-[1-(difluoromethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-[(2E,4R)-4-[4-(2-cyclopropyl-2H-1,2,3-triazol-4-yl)phenyl]-2-imino-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazolidin-1-yl]ethyl [1-(difluoromethyl)cyclopropyl]carbamate, HIV-1 protease
Authors:Lansdon, E.B.
Deposit date:2023-12-11
Release date:2024-03-06
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Preclinical characterization of a non-peptidomimetic HIV protease inhibitor with improved metabolic stability.
Antimicrob.Agents Chemother., 68, 2024
6O7G
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BU of 6o7g by Molmil
Solution structure of MLL4 PHD6 domain in complex with histone H4K16ac peptide
Descriptor: Histone H4, Histone-lysine N-methyltransferase 2D, ZINC ION
Authors:Zhang, Y, Kutateladze, T.G.
Deposit date:2019-03-07
Release date:2019-05-22
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Selective binding of the PHD6 finger of MLL4 to histone H4K16ac links MLL4 and MOF.
Nat Commun, 10, 2019
8GXP
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BU of 8gxp by Molmil
Complex structure of RORgama with betulinic acid
Descriptor: Betulinic acid, Nuclear receptor ROR-gamma
Authors:Zhang, X.L, Xu, C, Bai, F.
Deposit date:2022-09-20
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR gamma antagonists.
Eur.J.Med.Chem., 257, 2023
6PLK
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BU of 6plk by Molmil
Crystal structure of ZIKV-116 Fab in complex with ZIKV envelope DIII
Descriptor: Env, ZIKV-116 heavy chain, ZIKV-116 light chain
Authors:Zhao, H, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-07-01
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanism of differential Zika and dengue virus neutralization by a public antibody lineage targeting the DIII lateral ridge.
J.Exp.Med., 217, 2020
6ATT
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BU of 6att by Molmil
39S Fab bound to HER2 ecd
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 39S Fab heavy chain, ...
Authors:Oganesyan, V.Y, Dall'Acqua, W.F.
Deposit date:2017-08-29
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.77 Å)
Cite:Structural insights into the mechanism of action of a biparatopic anti-HER2 antibody.
J. Biol. Chem., 293, 2018
3N2N
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BU of 3n2n by Molmil
The Crystal Structure of Tumor Endothelial Marker 8 (TEM8) extracellular domain
Descriptor: ACETATE ION, Anthrax toxin receptor 1, MAGNESIUM ION
Authors:Fu, S, Tong, X.H, Wu, Y, Li, Y.Y, Rao, Z.H.
Deposit date:2010-05-18
Release date:2011-01-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of tumor endothelial marker 8 (TEM8) extracellular domain and implications for its receptor function for recognizing anthrax toxin.
Plos One, 5, 2010
3LG2
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BU of 3lg2 by Molmil
A Ykr043C/ fructose-1,6-bisphosphate product complex following ligand soaking
Descriptor: PHOSPHATE ION, Uncharacterized protein YKR043C
Authors:Singer, A, Xu, X, Cui, H, Dong, A, Edwards, A.M, Joachimiak, A, Yakunin, A.F, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-01-19
Release date:2010-03-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and activity of the metal-independent fructose-1,6-bisphosphatase YK23 from Saccharomyces cerevisiae.
J.Biol.Chem., 285, 2010
3F3K
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BU of 3f3k by Molmil
The structure of uncharacterized protein YKR043C from Saccharomyces cerevisiae.
Descriptor: GLYCEROL, Uncharacterized protein YKR043C
Authors:Cuff, M, Xu, X, Cui, H, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-10-30
Release date:2008-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and activity of the metal-independent fructose-1,6-bisphosphatase YK23 from Saccharomyces cerevisiae.
J.Biol.Chem., 285, 2010
3LL4
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BU of 3ll4 by Molmil
Structure of the H13A mutant of Ykr043C in complex with fructose-1,6-bisphosphate
Descriptor: 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), Uncharacterized protein YKR043C
Authors:Singer, A, Xu, X, Cui, H, Dong, A, Stogios, P.J, Edwards, A.M, Joachimiak, A, Savchenko, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-01-28
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure and activity of the metal-independent fructose-1,6-bisphosphatase YK23 from Saccharomyces cerevisiae.
J.Biol.Chem., 285, 2010
3NGB
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BU of 3ngb by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC01 in complex with HIV-1 gp120
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2010-06-11
Release date:2010-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural basis for broad and potent neutralization of HIV-1 by antibody VRC01.
Science, 329, 2010
7U8F
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BU of 7u8f by Molmil
Ternary complex structure of Cereblon-DDB1 bound to IKZF2(ZF2) and the molecular glue DKY709
Descriptor: (3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA damage-binding protein 1, ...
Authors:Ma, X, Ornelas, E, Clifton, M.C.
Deposit date:2022-03-08
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy.
Cell Chem Biol, 30, 2023
4H14
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BU of 4h14 by Molmil
Crystal Structure of Bovine Coronavirus Spike Protein Lectin Domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ...
Authors:Li, F.
Deposit date:2012-09-10
Release date:2012-10-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of bovine coronavirus spike protein lectin domain.
J.Biol.Chem., 287, 2012
4I7F
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BU of 4i7f by Molmil
HIV-1 Reverse Transcriptase in complex with a phosphonate analog of nevirapine
Descriptor: CHLORIDE ION, MAGNESIUM ION, Reverse transcriptase, ...
Authors:Lansdon, E.B, Parrish, J.
Deposit date:2012-11-30
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Synthesis and biological evaluation of phosphonate analogues of nevirapine.
Bioorg.Med.Chem.Lett., 23, 2013
6ACU
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BU of 6acu by Molmil
The structure of CVA10 virus mature virion
Descriptor: SPHINGOSINE, VP1, VP2, ...
Authors:Cui, Y.X, Zheng, Q.B, Zhu, R, Xu, L.F, Li, S.W, Yan, X.D, Zhou, Z.H, Cheng, T.
Deposit date:2018-07-27
Release date:2018-11-21
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Discovery and structural characterization of a therapeutic antibody against coxsackievirus A10.
Sci Adv, 4, 2018

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