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5BZV
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BU of 5bzv by Molmil
Crystal structure of the RNA-binding domain of yeast Puf5p bound to SMX2 RNA
分子名称: RNA (5'-R(*UP*GP*UP*AP*CP*UP*AP*UP*A)-3'), Suppressor protein MPT5
著者Qiu, C, Hall, T.M.T.
登録日2015-06-11
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.354 Å)
主引用文献RNA regulatory networks diversified through curvature of the PUF protein scaffold.
Nat Commun, 6, 2015
2NUM
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BU of 2num by Molmil
Soluble domain of Rieske Iron-Sulfur Protein
分子名称: FE2/S2 (INORGANIC) CLUSTER, Ubiquinol-cytochrome c reductase iron-sulfur subunit
著者Kolling, D, Brunzelle, J, Lhee, S, Crofts, A.R, Nair, S.K.
登録日2006-11-09
公開日2007-02-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Atomic resolution structures of rieske iron-sulfur protein: role of hydrogen bonds in tuning the redox potential of iron-sulfur clusters.
Structure, 15, 2007
7ZBP
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BU of 7zbp by Molmil
Unspecific peroxygenase from Marasmius rotula
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Santillana, E, Romero, A.
登録日2022-03-24
公開日2022-05-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural Characterization of Two Short Unspecific Peroxygenases: Two Different Dimeric Arrangements.
Antioxidants, 11, 2022
7ZCL
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BU of 7zcl by Molmil
Unspecific peroxygenase from Collariella virescens
分子名称: Collariella virescens UPO, HEME C, MAGNESIUM ION
著者Santillana, E, Romero, A.
登録日2022-03-28
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Characterization of Two Short Unspecific Peroxygenases: Two Different Dimeric Arrangements.
Antioxidants, 11, 2022
5OMG
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BU of 5omg by Molmil
p38alpha in complex with pyrazolobenzothiazine inhibitor COXP4M12
分子名称: 3-(4-fluorophenyl)-4-methyl-1~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Buehrmann, M, Rauh, D.
登録日2017-07-31
公開日2019-03-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Co-crystal structure determination and cellular evaluation of 1,4-dihydropyrazolo[4,3-c] [1,2] benzothiazine 5,5-dioxide p38 alpha MAPK inhibitors.
Biochem.Biophys.Res.Commun., 511, 2019
5OMH
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BU of 5omh by Molmil
p38alpha in complex with pyrazolobenzothiazine inhibitor COXH11
分子名称: 1-(3-chlorophenyl)-3-methyl-4~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide, Mitogen-activated protein kinase 14
著者Buehrmann, M, Rauh, D.
登録日2017-07-31
公開日2019-03-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Co-crystal structure determination and cellular evaluation of 1,4-dihydropyrazolo[4,3-c] [1,2] benzothiazine 5,5-dioxide p38 alpha MAPK inhibitors.
Biochem.Biophys.Res.Commun., 511, 2019
2NVG
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BU of 2nvg by Molmil
Soluble domain of Rieske Iron Sulfur protein.
分子名称: FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, Ubiquinol-cytochrome c reductase iron-sulfur subunit
著者Kolling, D, Brunzelle, J, Lhee, S, Crofts, A.R, Nair, S.K.
登録日2006-11-12
公開日2007-02-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Atomic resolution structures of rieske iron-sulfur protein: role of hydrogen bonds in tuning the redox potential of iron-sulfur clusters.
Structure, 15, 2007
2NUK
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BU of 2nuk by Molmil
Soluble Domain of the Rieske Iron-Sulfur Protein from Rhodobacter sphaeroides
分子名称: FE2/S2 (INORGANIC) CLUSTER, Ubiquinol-cytochrome c reductase iron-sulfur subunit
著者Kolling, D, Brunzelle, J, Lhee, S, Crofts, A.R, Nair, S.K.
登録日2006-11-09
公開日2007-04-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Atomic resolution structures of rieske iron-sulfur protein: role of hydrogen bonds in tuning the redox potential of iron-sulfur clusters.
Structure, 15, 2007
2NVF
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BU of 2nvf by Molmil
Soluble domain of Rieske Iron-Sulfur protein.
分子名称: FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, Ubiquinol-cytochrome c reductase iron-sulfur subunit
著者Kolling, D, Brunzelle, J, Lhee, S, Crofts, A.R, Nair, S.K.
登録日2006-11-12
公開日2007-02-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Atomic resolution structures of rieske iron-sulfur protein: role of hydrogen bonds in tuning the redox potential of iron-sulfur clusters.
Structure, 15, 2007
2NWF
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BU of 2nwf by Molmil
Soluble domain of Rieske Iron Sulfur Protein
分子名称: FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, Ubiquinol-cytochrome c reductase iron-sulfur subunit
著者Kolling, D, Brunzelle, J.S, Lhee, S, Crofts, A.R, Nair, S.K.
登録日2006-11-14
公開日2007-04-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic resolution structures of rieske iron-sulfur protein: role of hydrogen bonds in tuning the redox potential of iron-sulfur clusters.
Structure, 15, 2007
4EVN
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BU of 4evn by Molmil
Crystal Structure of Fab CR6261 (somatic heavy chain with germline-reverted light chain)
分子名称: Fab Heavy Chain, Fab Lambda Light Chain
著者Whittle, J.R.R.
登録日2012-04-26
公開日2012-08-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.851 Å)
主引用文献Structural and genetic basis for development of broadly neutralizing influenza antibodies.
Nature, 489, 2012
6NAO
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BU of 6nao by Molmil
Discovery of a high affinity inhibitor of cGAS
分子名称: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION
著者Hall, J.
登録日2018-12-06
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
2HUG
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BU of 2hug by Molmil
3D Solution Structure of the Chromo-2 Domain of cpSRP43 complexed with cpSRP54 peptide
分子名称: Signal recognition particle 43 kDa protein, chloroplast, Signal recognition particle 54 kDa protein
著者Kathir, K.M, Vaithiyalingam, S, Henry, R, Thallapuranam, S.K.K.
登録日2006-07-26
公開日2007-09-18
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Assembly of chloroplast signal recognition particle involves structural rearrangement in cpSRP43.
J.Mol.Biol., 381, 2008
6DBK
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BU of 6dbk by Molmil
Tyk2 with compound 8
分子名称: 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
著者Vajdos, F.F.
登録日2018-05-03
公開日2018-08-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: 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
著者Vajdos, F.F.
登録日2018-05-03
公開日2018-08-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.368 Å)
主引用文献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
分子名称: 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
著者Vajdos, F.F.
登録日2018-05-03
公開日2018-08-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献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
5V8O
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BU of 5v8o by Molmil
Discovery of a high affinity inhibitor of cGAS
分子名称: 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol, Cyclic GMP-AMP synthase, ZINC ION
著者Hall, J.
登録日2017-03-22
公開日2017-09-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
5VB3
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BU of 5vb3 by Molmil
X-ray structure of nuclear receptor ROR-gammat Ligand Binding Domain + SRC2 peptide
分子名称: Nuclear receptor ROR-gamma, SRC2 chimera, SODIUM ION
著者Li, X.
登録日2017-03-28
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5VB6
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BU of 5vb6 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide
分子名称: N-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide, Nuclear receptor ROR-gamma, SRC2 chimera, ...
著者Li, X.
登録日2017-03-28
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.041 Å)
主引用文献Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5VB5
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BU of 5vb5 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide
分子名称: N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide, Nuclear receptor ROR-gamma, SRC2 chimera, ...
著者Li, X.
登録日2017-03-28
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.226 Å)
主引用文献Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5VB7
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BU of 5vb7 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an agonist and SRC2 peptide
分子名称: N-methyl-N'-(3-methylbut-2-en-1-yl)-N'-(3-phenoxyphenyl)-N-[trans-4-(pyridin-4-yl)cyclohexyl]urea, Nuclear receptor ROR-gamma, SRC2 chimera, ...
著者Li, X.
登録日2017-03-28
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.335 Å)
主引用文献Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
8CX3
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BU of 8cx3 by Molmil
Crystal structure of full-length mesothelin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Zhan, J, Esser, L, Xia, D.
登録日2022-05-19
公開日2023-02-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.609 Å)
主引用文献Structures of Cancer Antigen Mesothelin and Its Complexes with Therapeutic Antibodies.
Cancer Res Commun, 3, 2023
3D5R
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BU of 3d5r by Molmil
Crystal Structure of Efb-C (N138A) / C3d Complex
分子名称: Complement C3, Fibrinogen-binding protein
著者Geisbrecht, B.V.
登録日2008-05-16
公開日2008-09-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Electrostatic contributions drive the interaction between Staphylococcus aureus protein Efb-C and its complement target C3d.
Protein Sci., 17, 2008
3D5S
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BU of 3d5s by Molmil
Crystal Structure of Efb-C (R131A) / C3d Complex
分子名称: Complement C3, Fibrinogen-binding protein
著者Geisbrecht, B.V.
登録日2008-05-16
公開日2008-09-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Electrostatic contributions drive the interaction between Staphylococcus aureus protein Efb-C and its complement target C3d.
Protein Sci., 17, 2008
6FV1
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BU of 6fv1 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)-2-cinnamamido-4-methylpentanamide (cinnamoyl-leucine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
著者Zhang, L, Hilgenfeld, R.
登録日2018-02-28
公開日2019-03-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment.
J.Med.Chem., 2020

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