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2LHZ
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BU of 2lhz by Molmil
Di-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
Authors:Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
Deposit date:2011-08-18
Release date:2012-04-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
2LHV
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BU of 2lhv by Molmil
Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
Descriptor: MUC2 Mucin Domain Peptide
Authors:Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
Deposit date:2011-08-18
Release date:2012-04-04
Last modified:2012-06-27
Method:SOLUTION NMR
Cite:Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
2LI0
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BU of 2li0 by Molmil
Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
Authors:Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
Deposit date:2011-08-18
Release date:2012-04-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
4HR9
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BU of 4hr9 by Molmil
Human interleukin 17A
Descriptor: Interleukin-17A
Authors:Liu, S.
Deposit date:2012-10-26
Release date:2013-05-22
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structures of interleukin 17A and its complex with IL-17 receptor A.
Nat Commun, 4, 2013
4HSA
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BU of 4hsa by Molmil
Structure of interleukin 17a in complex with il17ra receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, ...
Authors:Liu, S.
Deposit date:2012-10-29
Release date:2013-05-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Crystal structures of interleukin 17A and its complex with IL-17 receptor A.
Nat Commun, 4, 2013
7GQS
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BU of 7gqs by Molmil
Crystal Structure of Werner helicase fragment 517-945 in complex with ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ...
Authors:Classen, M, Benz, J, Brugger, D, Rudolph, M.G.
Deposit date:2023-10-19
Release date:2024-05-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
7GQT
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BU of 7gqt by Molmil
Crystal Structure of Werner helicase fragment 517-945 in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, MAGNESIUM ION, ...
Authors:Classen, M, Benz, J, Brugger, D, Rudolph, M.G.
Deposit date:2023-10-19
Release date:2024-05-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
7GQU
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BU of 7gqu by Molmil
Crystal Structure of Werner helicase fragment 517-945 in covalent complex with N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, GLYCEROL, ...
Authors:Classen, M, Benz, J, Brugger, D, Tagliente, O, Rudolph, M.G.
Deposit date:2023-10-19
Release date:2024-05-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
2LHX
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BU of 2lhx by Molmil
Di-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
Authors:Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
Deposit date:2011-08-18
Release date:2012-04-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
2LI1
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BU of 2li1 by Molmil
Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
Authors:Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
Deposit date:2011-08-18
Release date:2012-04-04
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
2LHW
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BU of 2lhw by Molmil
Tri-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
Authors:Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
Deposit date:2011-08-18
Release date:2012-04-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
2LI2
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BU of 2li2 by Molmil
Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
Authors:Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
Deposit date:2011-08-18
Release date:2012-04-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
2LHY
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BU of 2lhy by Molmil
Di-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
Authors:Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
Deposit date:2011-08-18
Release date:2012-04-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
2MMP
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BU of 2mmp by Molmil
Solution structure of a ribosomal protein
Descriptor: Uncharacterized protein
Authors:Feng, Y.
Deposit date:2014-03-17
Release date:2014-06-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure determination of archaea-specific ribosomal protein L46a reveals a novel protein fold.
Biochem.Biophys.Res.Commun., 450, 2014
7XIY
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BU of 7xiy by Molmil
SARS-CoV-2 Omicron BA.3 variant spike
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:Wang, X, Wang, L.
Deposit date:2022-04-14
Release date:2022-07-13
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7X6A
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BU of 7x6a by Molmil
SARS-CoV-2 BA.2 variant spike protein in complex with Fab BD55-5840
Descriptor: Heavy chain of Fab BD55-5840, Light chain of Fab BD55-5840, Spike glycoprotein
Authors:Wang, X, Wang, L.
Deposit date:2022-03-07
Release date:2022-07-13
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XNQ
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BU of 7xnq by Molmil
SARS-CoV-2 Omicron BA.4 variant spike
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:Wang, X, Wang, L.
Deposit date:2022-04-29
Release date:2022-07-13
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XIW
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BU of 7xiw by Molmil
SARS-CoV-2 Omicron BA.2 variant spike (state 1)
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:Wang, X, Wang, L.
Deposit date:2022-04-14
Release date:2022-07-13
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XNR
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BU of 7xnr by Molmil
SARS-CoV-2 Omicron BA.2.13 variant spike
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:Wang, X, Wang, L.
Deposit date:2022-04-29
Release date:2022-07-13
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XNS
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BU of 7xns by Molmil
SARS-CoV-2 Omicron BA.4 variant spike
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:Wang, X, Wang, L.
Deposit date:2022-04-29
Release date:2022-07-13
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XIZ
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BU of 7xiz by Molmil
SARS-CoV-2 Omicron BA.3 variant spike (local)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
Authors:Wang, X, Wang, L.
Deposit date:2022-04-14
Release date:2022-07-13
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XIX
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BU of 7xix by Molmil
SARS-CoV-2 Omicron BA.2 variant spike (state 2)
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:Wang, X, Wang, L.
Deposit date:2022-04-14
Release date:2022-07-13
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
4U8Z
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BU of 4u8z by Molmil
Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06447475)
Descriptor: 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, MANGANESE (II) ION, Serine/threonine-protein kinase 24
Authors:Jasti, J, Song, X, Griffor, M, Kurumbail, R.G.
Deposit date:2014-08-05
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor.
J.Med.Chem., 58, 2015
4W8D
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BU of 4w8d by Molmil
Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06454589).
Descriptor: 5-(1-methyl-1H-pyrazol-4-yl)-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine, Serine/threonine-protein kinase 24 36 kDa subunit
Authors:Jasti, J, Song, X, Griffor, M, Kurumbail, R.G.
Deposit date:2014-08-24
Release date:2015-03-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor.
J.Med.Chem., 58, 2015
7WRO
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BU of 7wro by Molmil
Local structure of BD55-3372 and delta spike
Descriptor: 3372H, 3372L, Spike protein S1
Authors:Liu, P.L.
Deposit date:2022-01-27
Release date:2022-06-22
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022

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