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6IN5
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BU of 6in5 by Molmil
Crystal structure of H5N2 hemagglutinin G228S Q226L mutant with 3SLN from A/chicken/Taiwan/0502/2012
Descriptor: Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose
Authors:Lin, T.H, Lee, M.S, Liu, J.S.
Deposit date:2018-10-24
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.916 Å)
Cite:crystal structure of H5 hemagglutinin from A/chicken/Taiwan/0502/2012
To Be Published
6IIG
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BU of 6iig by Molmil
crystal structure of H5N2 hemagglutinin G228S mutant With 6SLN from A/chicken/Taiwan/0502/2012
Descriptor: Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose
Authors:Lin, T.H, Lee, M.S, Wu, W.G.
Deposit date:2018-10-05
Release date:2019-10-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.208 Å)
Cite:crystal structure of H5 hemagglutinin from A/chicken/Taiwan/0502/2012
To Be Published
6IJT
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BU of 6ijt by Molmil
Crystal structure of H5N2 hemagglutinin G228S Q226L mutant with 6SLN from A/chicken/Taiwan/0502/2012
Descriptor: Hemagglutinin, N-acetyl-alpha-neuraminic acid
Authors:Lin, T.H, Lee, M.S, Liu, J.S.
Deposit date:2018-10-12
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:crystal structure of H5 hemagglutinin from A/chicken/Taiwan/0502/2012
To Be Published
6KCJ
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BU of 6kcj by Molmil
Crystal structure of H5N2 hemagglutinin Apo-Q226L mutant from A/chicken/Taiwan/0502/2012
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Lin, T.H, Lee, M.S, Wu, W.G.
Deposit date:2019-06-28
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:crystal structure of H5 hemagglutinin from A/chicken/Taiwan/0502/2012
To Be Published
5YT9
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BU of 5yt9 by Molmil
Crystal structure of H5 hemagglutinin G228S mutant from A/chicken/Taiwan/0502/2012
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Lin, T.H, Lee, M.S, Wu, W.G, Liu, J.S.
Deposit date:2017-11-17
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.766 Å)
Cite:crystal structure of H5 hemagglutinin from A/chicken/Taiwan/0502/2012
To Be Published
5YT8
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BU of 5yt8 by Molmil
Crystal structure of H5 hemagglutinin with G228S Q226L mutants from A/chicken/Taiwan/0502/2012
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Lin, T.H, Lee, M.S, Wu, W.G, Liu, J.S.
Deposit date:2017-11-17
Release date:2018-11-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.765 Å)
Cite:crystal structure of H5 hemagglutinin from A/chicken/Taiwan/0502/2012
To Be Published
5YKC
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BU of 5ykc by Molmil
crystal structure of H5 hemagglutinin from A/chicken/Taiwan/0502/2012
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Lin, T.H, Lee, M.S, Wu, W.G.
Deposit date:2017-10-13
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.823 Å)
Cite:crystal structure of H5 hemagglutinin from A/chicken/Taiwan/0502/2012
To Be Published
5Z88
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BU of 5z88 by Molmil
Crystal structure of H5 hemagglutinin G228S mutant with 3SLN from A/chicken/Taiwan/0502/2012
Descriptor: Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose
Authors:Lin, T.H, Lee, M.S, Wu, W.G, Liu, J.S.
Deposit date:2018-01-31
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:crystal structure of H5 hemagglutinin from A/chicken/Taiwan/0502/2012
To Be Published
8DAO
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BU of 8dao by Molmil
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV44-79
Descriptor: COV44-79 heavy chain constant domain, COV44-79 heavy chain variable domain, COV44-79 light chain constant domain, ...
Authors:Lin, T.H, Lee, C.C.D, Yuan, M, Wilson, I.A.
Deposit date:2022-06-13
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8DTX
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BU of 8dtx by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV89-22
Descriptor: COV89-22 heavy chain, COV89-22 light chain, Spike protein S2' stem helix peptide
Authors:Lin, T.H, Lee, C.C.D, Wilson, I.A.
Deposit date:2022-07-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
7F0U
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BU of 7f0u by Molmil
porcine epidemic diarrhea virus papain-like protease 2 C44S mutant in complex with mono ubiquitin
Descriptor: Ubiquitin, ZINC ION, papain-like protease 2
Authors:Chu, H.F, Lin, T.H.
Deposit date:2021-06-07
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Biochemical Characterization of Porcine Epidemic Diarrhea Virus Papain-Like Protease 2.
J.Virol., 96, 2022
8D6Z
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BU of 8d6z by Molmil
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV91-27
Descriptor: Neutralizing antibody COV91-27 heavy chain, Neutralizing antibody COV91-27 light chain, Spike protein S2 fusion peptide
Authors:Lee, C.C.D, Lin, T.H, Yuan, M, Wilson, I.A.
Deposit date:2022-06-06
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8DTT
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BU of 8dtt by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV93-03
Descriptor: COV93-03 heavy chain, COV93-03 light chain, Spike protein S2' stem helix peptide
Authors:Lee, C.C.D, Lin, T.H, Wilson, I.A.
Deposit date:2022-07-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
8DTR
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BU of 8dtr by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV30-14
Descriptor: COV30-14 heavy chain, COV30-14 light chain, Spike protein S2' stem helix peptide
Authors:Lee, C.C.D, Lin, T.H, Wilson, I.A.
Deposit date:2022-07-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
5Z2G
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BU of 5z2g by Molmil
Crystal Structure of L-amino acid oxidase from venom of Naja atra
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid oxidase
Authors:Kumar, J.V, Chien, K.Y, Wu, W.G, Lin, C.C, Chiang, L.C, Lin, T.H.
Deposit date:2018-01-02
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.676 Å)
Cite:Crystal Structure of L-amino acid oxidase from naja atra (Taiwan Cobra)
To Be Published
6DBK
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BU of 6dbk by Molmil
Tyk2 with compound 8
Descriptor: 4-({4-[(1S,4S)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-N-ethylbenzamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Vajdos, F.F.
Deposit date:2018-05-03
Release date:2018-08-29
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
6DBM
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BU of 6dbm by Molmil
Tyk2 with compound 23
Descriptor: Non-receptor tyrosine-protein kinase TYK2, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
Authors:Vajdos, F.F.
Deposit date:2018-05-03
Release date:2018-08-29
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.368 Å)
Cite:Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
6DBN
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BU of 6dbn by Molmil
Jak1 with compound 23
Descriptor: Tyrosine-protein kinase JAK1, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
Authors:Vajdos, F.F.
Deposit date:2018-05-03
Release date:2018-08-29
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
6X8E
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BU of 6x8e by Molmil
Crystal structure of JAK2 with Compound 11
Descriptor: Tyrosine-protein kinase JAK2, [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
Authors:Vajdos, F.F, Knafels, J.D.
Deposit date:2020-06-01
Release date:2020-11-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
J.Med.Chem., 63, 2020
6X8G
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BU of 6x8g by Molmil
Crystal structure of TYK2 with Compound 22
Descriptor: Non-receptor tyrosine-protein kinase TYK2, trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutane-1-carbonitrile
Authors:Vajdos, F.F, Knafels, J.D.
Deposit date:2020-06-01
Release date:2020-11-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
J.Med.Chem., 63, 2020
6X8F
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BU of 6x8f by Molmil
Crystal structure of TYK2 with Compound 11
Descriptor: Non-receptor tyrosine-protein kinase TYK2, [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
Authors:Vajdos, F.F, Knafels, J.D.
Deposit date:2020-06-01
Release date:2020-11-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
J.Med.Chem., 63, 2020
2M0K
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BU of 2m0k by Molmil
3D Structure of Calmodulin and Calmodulin Binding Domain of Rat Olfactory Cyclic Nucleotide-Gated Ion Channel
Descriptor: CALCIUM ION, Calmodulin, Peptide from Cyclic nucleotide-gated olfactory channel
Authors:Deli, I, Chyan, C.
Deposit date:2012-10-29
Release date:2013-10-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Binding orientation and specificity of calmodulin to rat olfactory cyclic nucleotide-gated ion channel.
J.Biomol.Struct.Dyn., 31, 2013
2M0J
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BU of 2m0j by Molmil
3D Structure of Calmodulin and Calmodulin binding domain of Olfactory cyclic nucleotide-gated ion channel complex
Descriptor: CALCIUM ION, Calmodulin, Peptide from Cyclic nucleotide-gated olfactory channel
Authors:Deli, I, Chyan, C.
Deposit date:2012-10-29
Release date:2013-10-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Binding orientation and specificity of calmodulin to rat olfactory cyclic nucleotide-gated ion channel
J.Biomol.Struct.Dyn., 31, 2013
6VNS
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BU of 6vns by Molmil
Crystal structure of TYK2 kinase with compound 13
Descriptor: (1R,2R)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Vajdos, F.F.
Deposit date:2020-01-29
Release date:2020-04-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
6VNY
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BU of 6vny by Molmil
Crystal structure of TYK2 kinase with compound 10
Descriptor: N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Vajdos, F.F.
Deposit date:2020-01-29
Release date:2020-04-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020

 

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