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8JFJ
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BU of 8jfj by Molmil
Crystal structure of enoyl-ACP reductase FabI from Helicobacter pylori
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Song, W.Y, Zhang, L.
Deposit date:2023-05-18
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
3H0J
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BU of 3h0j by Molmil
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 2
Descriptor: 6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline, Acetyl-CoA carboxylase
Authors:Zhang, H, Tong, L.
Deposit date:2009-04-09
Release date:2010-04-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.
Bioorg.Med.Chem.Lett., 20, 2010
8I1N
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BU of 8i1n by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with endogenous APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8I1O
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BU of 8i1o by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with exogenous APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8AXW
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BU of 8axw by Molmil
The structure of mouse AsterC (GramD1c) with Ezetimibe
Descriptor: (3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one, CHLORIDE ION, ETHANOL, ...
Authors:Fairall, L, Xiao, X, Burger, L, Tontonoz, P, Schwabe, J.W.R.
Deposit date:2022-09-01
Release date:2023-09-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Aster-dependent nonvesicular transport facilitates dietary cholesterol uptake.
Science, 382, 2023
3H0S
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BU of 3h0s by Molmil
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 7
Descriptor: 1'-(1H-indazol-7-ylcarbonyl)-6-methylspiro[chromene-2,4'-piperidin]-4(3H)-one, Acetyl-CoA carboxylase, SULFATE ION
Authors:Vajdos, F.
Deposit date:2009-04-10
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.
Bioorg.Med.Chem.Lett., 20, 2010
3H0Q
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BU of 3h0q by Molmil
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 3
Descriptor: 4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline, Acetyl-CoA carboxylase
Authors:Zhang, H, Tong, L.
Deposit date:2009-04-10
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.
Bioorg.Med.Chem.Lett., 20, 2010
3N2Y
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BU of 3n2y by Molmil
Crystal structure of tyrosyl-tRNA synthetase complexed with p-(2-tetrazolyl)-phenylalanine
Descriptor: 4-(2H-tetrazol-2-yl)-L-phenylalanine, Tyrosyl-tRNA synthetase
Authors:Wu, M, Li, J, Zang, J.
Deposit date:2010-05-19
Release date:2010-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:A biosynthetic route to photoclick chemistry on proteins
J.Am.Chem.Soc., 132, 2010
8I1M
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BU of 8i1m by Molmil
Crystal structure of oxidated APSK1 domain from human PAPSS1 in complex with APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, PAPSS1 protein, ...
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
7E7Y
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BU of 7e7y by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-623 Fab
Descriptor: BD-623 Fab H, BD-623 Fab L, Spike protein S1
Authors:Wei, Y, Xiao, J.
Deposit date:2021-02-28
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E88
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BU of 7e88 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-515 Fab
Descriptor: BD-515 Fab Heavy Chain, BD-515 Fab Light Chain, Spike protein S1
Authors:Gao, C, Wei, Y, Xiao, J.
Deposit date:2021-03-01
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E7X
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BU of 7e7x by Molmil
SARS-CoV-2 Spike Protein N terminal domain in Complex with N11 Fab
Descriptor: N11 Fab Light chain, N11 Fab heavy chain, Spike protein S1
Authors:Zhang, Z, Shuo, D, Xiao, J.
Deposit date:2021-02-28
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E8C
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BU of 7e8c by Molmil
SARS-CoV-2 S-6P in complex with 9 Fabs
Descriptor: 368-2 H, 368-2 L, 604 H, ...
Authors:Du, S, Xiao, J, Zhang, Z.
Deposit date:2021-03-01
Release date:2021-06-09
Last modified:2021-07-14
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E8F
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BU of 7e8f by Molmil
SARS-CoV-2 NTD in complex with N9 Fab
Descriptor: 368-2 H, 368-2 L, 604 H, ...
Authors:Du, S, Xiao, J, Zhang, Z.
Deposit date:2021-03-01
Release date:2021-06-09
Last modified:2021-07-14
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E86
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BU of 7e86 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-508 Fab
Descriptor: BD-508 Fab Heavy Chain, BD-508 Fab Light Chain, Spike protein S1
Authors:Gao, C, Xiao, J.
Deposit date:2021-03-01
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
3S41
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BU of 3s41 by Molmil
Glucokinase in complex with activator and glucose
Descriptor: Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ...
Authors:Liu, S.
Deposit date:2011-05-18
Release date:2011-09-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Designing glucokinase activators with reduced hypoglycemia risk: discovery of N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)-carbamoyl)benzofuran-4-yloxy)pyrimidine-2-carboxamide as a clinical candidate for the treatment of type 2 diabetes mellitus
MEDCHEMCOMM, 2, 2011
8HJE
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BU of 8hje by Molmil
Vismodegib binds to the catalytical domain of human Ubiquitin-Specific Protease 28
Descriptor: 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, Ubiquitin carboxyl-terminal hydrolase 28
Authors:Shi, L, Wang, H, Xu, Z, Xiong, B, Zhang, N.
Deposit date:2022-11-23
Release date:2023-05-03
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure-based discovery of potent USP28 inhibitors derived from Vismodegib.
Eur.J.Med.Chem., 254, 2023
6T6W
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BU of 6t6w by Molmil
3C-like protease from Southampton virus complexed with XST00000692b.
Descriptor: 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-19
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TCF
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BU of 6tcf by Molmil
3C-like protease from Southampton virus complexed with XST00000642b.
Descriptor: DIMETHYL SULFOXIDE, Genome polyprotein, PHOSPHATE ION, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-11-05
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T82
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BU of 6t82 by Molmil
3C-like protease from Southampton virus complexed with FMOPL000542a.
Descriptor: 4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-23
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T8T
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BU of 6t8t by Molmil
3C-like protease from Southampton virus complexed with FMOPL000603a.
Descriptor: 2-(4-ethoxyphenyl)ethanoic acid, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-24
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TC1
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BU of 6tc1 by Molmil
3C-like protease from Southampton virus complexed with FMOPL000283a.
Descriptor: 5-ethyl-1,3,4-thiadiazol-2-amine, DIMETHYL SULFOXIDE, Genome polyprotein
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-11-04
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TGL
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BU of 6tgl by Molmil
3c-like protease from Southampton virus complexed with FMOPL000644a.
Descriptor: DIMETHYL SULFOXIDE, Genome polyprotein, PHOSPHATE ION, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-11-16
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T1Q
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BU of 6t1q by Molmil
3C-like protease from Southampton norovirus.
Descriptor: Genome polyprotein
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-05
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T2I
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BU of 6t2i by Molmil
3C-like protease from Southampton virus complexed with FMOPL000157a.
Descriptor: DIMETHYL SULFOXIDE, Genome polyprotein, N-(2-phenylethyl)methanesulfonamide
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-08
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020

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