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7VX2
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BU of 7vx2 by Molmil
Crystal Structure of the Y53F/N55A/I80F/L114V/I116V mutant of LEH
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D.
Deposit date:2021-11-12
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.485 Å)
Cite:Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.
Nat Commun, 13, 2022
7VWD
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BU of 7vwd by Molmil
Crystal Structure of the Y53F/N55A mutant of LEH
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D.
Deposit date:2021-11-10
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.
Nat Commun, 13, 2022
7VWM
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BU of 7vwm by Molmil
Crystal Structure of the Y53F/N55A/I116V mutant of LEH
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D.
Deposit date:2021-11-11
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.
Nat Commun, 13, 2022
4KZ0
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BU of 4kz0 by Molmil
Structure of PI3K gamma with Imidazopyridine inhibitors
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate
Authors:Knapp, M.S, Elling, R.A.
Deposit date:2013-05-29
Release date:2013-07-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K.
Bioorg.Med.Chem.Lett., 23, 2013
4KZC
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BU of 4kzc by Molmil
Structure of PI3K gamma with Imidazopyridine inhibitors
Descriptor: N-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Knapp, M.S, Elling, E.A.
Deposit date:2013-05-29
Release date:2013-07-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K.
Bioorg.Med.Chem.Lett., 23, 2013
2MK5
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BU of 2mk5 by Molmil
Solution structure of a protein domain
Descriptor: Endolysin
Authors:Feng, Y, Gu, J.
Deposit date:2014-01-24
Release date:2014-05-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
2FLA
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BU of 2fla by Molmil
Structure of thereduced HiPIP from thermochromatium tepidum at 0.95 angstrom resolution
Descriptor: GLYCEROL, High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, ...
Authors:Hunsicker-Wang, L.M, Stout, C.D, Fee, J.A.
Deposit date:2006-01-05
Release date:2006-12-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Geometric factors determine, in part, the electronic state of the 4Fe-4S cluster of HiPIP: a geometric, crystallographic, and theoretical study.
To be Published
8K6L
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BU of 8k6l by Molmil
Cryo-EM structure of human OATP1B1 in complex with DCF
Descriptor: 2',7'-bis(chloranyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shan, Z, Yang, X, Zhang, Y.
Deposit date:2023-07-25
Release date:2023-09-13
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
4RC6
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BU of 4rc6 by Molmil
Crystal structure of cyanobacterial aldehyde-deformylating oxygenase 122F mutant
Descriptor: Aldehyde decarbonylase, FE (II) ION
Authors:Jia, C.J, Li, M, Li, J.J, Zhang, J.J, Zhang, H.M, Cao, P, Pan, X.W, Lu, X.F, Chang, W.R.
Deposit date:2014-09-14
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insights into the catalytic mechanism of aldehyde-deformylating oxygenases.
Protein Cell, 6, 2015
4RT4
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BU of 4rt4 by Molmil
Crystal structure of Dpy30 complexed with Bre2
Descriptor: Peptide from COMPASS component BRE2, Protein dpy-30 homolog
Authors:Zhang, H.M, Li, M, Chang, W.R.
Deposit date:2014-11-12
Release date:2015-10-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Structural implications of Dpy30 oligomerization for MLL/SET1 COMPASS H3K4 trimethylation
Protein Cell, 6, 2015
4RTA
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BU of 4rta by Molmil
Cystal structure of the Dpy30 for MLL/SET1 COMPASS H3K4 trimethylation
Descriptor: FORMIC ACID, Protein dpy-30 homolog
Authors:Zhang, H.M, Li, M, Chang, W.R.
Deposit date:2014-11-14
Release date:2015-10-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.123 Å)
Cite:Structural implications of Dpy30 oligomerization for MLL/SET1 COMPASS H3K4 trimethylation.
Protein Cell, 6, 2015
7SCP
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BU of 7scp by Molmil
The crystal structure of ScoE in complex with intermediate
Descriptor: (3R)-3-(oxaloamino)butanoic acid, 1,2-ETHANEDIOL, FE (II) ION, ...
Authors:Cha, L, Chen, J, Zhou, J, Chang, W.
Deposit date:2021-09-28
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Deciphering the Reaction Pathway of Mononuclear Iron Enzyme-Catalyzed N-C Triple Bond Formation in Isocyanide Lipopeptide and Polyketide Biosynthesis
Acs Catalysis, 12, 2022
7XHJ
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BU of 7xhj by Molmil
Crystal structure of RuvC from Deinococcus radiodurans
Descriptor: Crossover junction endodeoxyribonuclease RuvC
Authors:Qin, C, Zhao, Y.
Deposit date:2022-04-08
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Functional Characterization of the Holliday Junction Resolvase RuvC from Deinococcus radiodurans.
Microorganisms, 10, 2022
4QUW
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BU of 4quw by Molmil
Crystal structure of the apo form of cyanobacterial aldehyde-deformylating oxygenase
Descriptor: Aldehyde decarbonylase, HEXADECAN-1-OL
Authors:Jia, C.J, Li, M, Chang, W.R.
Deposit date:2014-07-14
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural insights into the catalytic mechanism of aldehyde-deformylating oxygenases.
Protein Cell, 6, 2015
4RC7
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BU of 4rc7 by Molmil
Crystal structure of cyanobacterial aldehyde-deformylating oxygenase F86YF87Y mutant
Descriptor: Aldehyde decarbonylase, FE (II) ION, HEXADECAN-1-OL
Authors:Jia, C.J, Li, M, Chang, W.R.
Deposit date:2014-09-14
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into the catalytic mechanism of aldehyde-deformylating oxygenases.
Protein Cell, 6, 2015
4RC8
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BU of 4rc8 by Molmil
Crystal structure of cyanobacterial aldehyde-deformylating oxygenase bound with fatty acid
Descriptor: Aldehyde decarbonylase, FE (III) ION, STEARIC ACID
Authors:Jia, C.J, Li, M, Chang, W.R.
Deposit date:2014-09-14
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural insights into the catalytic mechanism of aldehyde-deformylating oxygenases.
Protein Cell, 6, 2015
4RC5
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BU of 4rc5 by Molmil
Crystal structure of cyanobacterial aldehyde-deformylating oxygenase
Descriptor: Aldehyde decarbonylase, FE (II) ION, HEXADECAN-1-OL
Authors:Jia, C.J, Li, M, Chang, W.R.
Deposit date:2014-09-14
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the catalytic mechanism of aldehyde-deformylating oxygenases.
Protein Cell, 6, 2015
5T2C
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BU of 5t2c by Molmil
CryoEM structure of the human ribosome at 3.6 Angstrom resolution
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Zhang, X, Lai, M, Zhou, Z.H.
Deposit date:2016-08-23
Release date:2017-01-25
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures and stabilization of kinetoplastid-specific split rRNAs revealed by comparing leishmanial and human ribosomes.
Nat Commun, 7, 2016
5T2A
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BU of 5t2a by Molmil
CryoEM structure of the Leishmania donovani 80S ribosome at 2.9 Angstrom resolution
Descriptor: 18S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Zhang, X, Lai, M, Zhou, Z.H.
Deposit date:2016-08-23
Release date:2017-01-25
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structures and stabilization of kinetoplastid-specific split rRNAs revealed by comparing leishmanial and human ribosomes.
Nat Commun, 7, 2016
6PWW
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BU of 6pww by Molmil
Cryo-EM structure of MLL1 in complex with RbBP5 and WDR5 bound to the nucleosome
Descriptor: DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
Deposit date:2019-07-23
Release date:2019-12-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
6PWX
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BU of 6pwx by Molmil
Cryo-EM structure of RbBP5 bound to the nucleosome
Descriptor: DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
Deposit date:2019-07-23
Release date:2019-12-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
6PWV
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BU of 6pwv by Molmil
Cryo-EM structure of MLL1 core complex bound to the nucleosome
Descriptor: DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
Deposit date:2019-07-23
Release date:2019-12-18
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
7BZW
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BU of 7bzw by Molmil
Structure of Hsp21
Descriptor: Heat shock protein 21, chloroplastic
Authors:Lau, W.C.Y.
Deposit date:2020-04-28
Release date:2021-04-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural basis of substrate recognition and thermal protection by a small heat shock protein.
Nat Commun, 12, 2021
7BAJ
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BU of 7baj by Molmil
Crystal structure of ligand-free SARS-CoV-2 main protease
Descriptor: Main Protease
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
7BAK
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BU of 7bak by Molmil
Crystal structure of SARS-CoV-2 main protease treated with ebselen
Descriptor: Main Protease, SELENIUM ATOM
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021

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