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2GU8
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BU of 2gu8 by Molmil
Discovery of 2-Pyrimidyl-5-Amidothiophenes as Novel and Potent Inhibitors for AKT: Synthesis and SAR Studies
Descriptor: CAMP-dependent protein kinase, alpha-catalytic subunit, N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE, ...
Authors:Murray, J.M.
Deposit date:2006-04-28
Release date:2007-05-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of 2-pyrimidyl-5-amidothiophenes as potent inhibitors for AKT: synthesis and SAR studies
Bioorg.Med.Chem.Lett., 16, 2006
4BD7
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BU of 4bd7 by Molmil
Bax domain swapped dimer induced by octylmaltoside
Descriptor: APOPTOSIS REGULATOR BAX, CHLORIDE ION, PRASEODYMIUM ION
Authors:Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M.
Deposit date:2012-10-05
Release date:2013-02-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
4BD2
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BU of 4bd2 by Molmil
Bax domain swapped dimer in complex with BidBH3
Descriptor: APOPTOSIS REGULATOR BAX, BH3-INTERACTING DOMAIN DEATH AGONIST
Authors:Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M.
Deposit date:2012-10-04
Release date:2013-02-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
4BD6
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BU of 4bd6 by Molmil
Bax domain swapped dimer in complex with BaxBH3
Descriptor: APOPTOSIS REGULATOR BAX
Authors:Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M.
Deposit date:2012-10-05
Release date:2013-02-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
7XOZ
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BU of 7xoz by Molmil
Crystal structure of RPPT-TIR
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase
Authors:Song, W, Jia, A, Huang, S, Chai, J.
Deposit date:2022-05-02
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:TIR-catalyzed ADP-ribosylation reactions produce signaling molecules for plant immunity.
Science, 377, 2022
4ANW
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BU of 4anw by Molmil
Complexes of PI3Kgamma with isoform selective inhibitors.
Descriptor: 3-AMINO-6-{4-CHLORO-3-[(2,3-DIFLUOROPHENYL)SULFAMOYL]PHENYL}-N-METHYLPYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
Authors:Foster, P.G, Lougheed, J.C.
Deposit date:2012-03-22
Release date:2012-05-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
4ANX
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BU of 4anx by Molmil
Complexes of PI3Kgamma with isoform selective inhibitors.
Descriptor: 5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
Authors:Foster, P.G, Lougheed, J.C.
Deposit date:2012-03-22
Release date:2012-05-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
4ANV
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BU of 4anv by Molmil
Complexes of PI3Kgamma with isoform selective inhibitors.
Descriptor: 2-{4-[(4'-METHOXYBIPHENYL-3-YL)SULFONYL]PIPERAZIN-1-YL}-3-(4-METHOXYPHENYL)PYRAZINE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
Authors:Foster, P.G, Lougheed, J.C.
Deposit date:2012-03-22
Release date:2012-05-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
8J17
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BU of 8j17 by Molmil
Crystal structure of IsPETase variant
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Yin, Q.D, Wang, Y.X.
Deposit date:2023-04-12
Release date:2023-11-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Efficient polyethylene terephthalate biodegradation by an engineered Ideonella sakaiensis PETase with a fixed substrate-binding W156 residue
Green Chem, 2013
4ANU
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BU of 4anu by Molmil
Complexes of PI3Kgamma with isoform selective inhibitors.
Descriptor: 3-AMINO-N-METHYL-6-[3-(1H-TETRAZOL-5-YL)PHENYL]PYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
Authors:Foster, P.G, Lougheed, J.C.
Deposit date:2012-03-22
Release date:2012-05-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
4BDU
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BU of 4bdu by Molmil
Bax BH3-in-Groove dimer (GFP)
Descriptor: GREEN FLUORESCENT PROTEIN, APOPTOSIS REGULATOR BAX
Authors:Czabotar, P.E, Colman, P.M.
Deposit date:2012-10-08
Release date:2013-02-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
4BD8
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BU of 4bd8 by Molmil
Bax domain swapped dimer induced by BimBH3 with CHAPS
Descriptor: 1,2-ETHANEDIOL, APOPTOSIS REGULATOR BAX, PRASEODYMIUM ION
Authors:Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M.
Deposit date:2012-10-05
Release date:2013-02-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
3UAI
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BU of 3uai by Molmil
Structure of the Shq1-Cbf5-Nop10-Gar1 complex from Saccharomyces cerevisiae
Descriptor: H/ACA ribonucleoprotein complex subunit 1, H/ACA ribonucleoprotein complex subunit 3, H/ACA ribonucleoprotein complex subunit 4, ...
Authors:Ye, K.
Deposit date:2011-10-21
Release date:2011-12-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structure of the Shq1-Cbf5-Nop10-Gar1 complex and implications for H/ACA RNP biogenesis and dyskeratosis congenita
Embo J., 30, 2011
3UAH
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BU of 3uah by Molmil
Structure of the Shq1 specific domain from Saccharomyces cerevisiae
Descriptor: Protein SHQ1
Authors:Ye, K.
Deposit date:2011-10-21
Release date:2011-12-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the Shq1-Cbf5-Nop10-Gar1 complex and implications for H/ACA RNP biogenesis and dyskeratosis congenita
Embo J., 30, 2011
8GPY
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BU of 8gpy by Molmil
Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv
Descriptor: Spike protein S1, scFv
Authors:Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y.
Deposit date:2022-08-27
Release date:2023-06-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
8J22
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BU of 8j22 by Molmil
Cryo-EM structure of FFAR2 complex bound with TUG-1375
Descriptor: (2R,4R)-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid, Free fatty acid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Tai, L, Li, F, Sun, X, Tang, W, Wang, J.
Deposit date:2023-04-14
Release date:2024-01-24
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3.
Cell Res., 34, 2024
8J20
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BU of 8j20 by Molmil
Cryo-EM structure of FFAR3 bound with valeric acid and AR420626
Descriptor: (4R)-N-[2,5-bis(chloranyl)phenyl]-4-(furan-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide, Free fatty acid receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Tai, L, Li, F, Sun, X, Tang, W, Wang, J.
Deposit date:2023-04-14
Release date:2024-01-24
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3.
Cell Res., 34, 2024
8J24
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BU of 8j24 by Molmil
Cryo-EM structure of FFAR2 complex bound with acetic acid
Descriptor: ACETATE ION, Free fatty acid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Tai, L, Li, F, Tang, W, Sun, X, Wang, J.
Deposit date:2023-04-14
Release date:2024-01-24
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3.
Cell Res., 34, 2024
8J21
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BU of 8j21 by Molmil
Cryo-EM structure of FFAR3 complex bound with butyrate acid
Descriptor: Free fatty acid receptor 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:Tai, L, Li, F, Sun, X, Tang, W, Wang, J.
Deposit date:2023-04-14
Release date:2024-01-24
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3.
Cell Res., 34, 2024
7YVM
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BU of 7yvm by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH272 Fab
Descriptor: Spike glycoprotein, TH281 Fab heavy chain, TH281 Fab light chain
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVL
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BU of 7yvl by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH272 Fab
Descriptor: Spike glycoprotein, TH272 Fab heavy chain, TH272 Fab light chain
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVJ
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BU of 7yvj by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH236 Fab
Descriptor: Spike glycoprotein, TH236 Fab heavy chain, TH236 Fab light chain
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVH
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BU of 7yvh by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH132 Fab
Descriptor: Spike glycoprotein, TH132 Fab heavy chain, TH132 Fab light chain
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVF
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BU of 7yvf by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH027 Fab
Descriptor: Spike glycoprotein, TH027 Fab heavy chain, TH027 Fab light chain
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7X7D
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BU of 7x7d by Molmil
SARS-CoV-2 Delta RBD and Nb22
Descriptor: Nb22, Spike protein S1
Authors:Wang, Y, Ye, S.
Deposit date:2022-03-09
Release date:2022-04-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Short-Term Instantaneous Prophylaxis and Efficient Treatment Against SARS-CoV-2 in hACE2 Mice Conferred by an Intranasal Nanobody (Nb22).
Front Immunol, 13, 2022

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