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5BZU
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BU of 5bzu by Molmil
Crystal structure of the RNA-binding domain of yeast Puf5p bound to AAT2 RNA
分子名称: Suppressor protein MPT5, UGUAAUA
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 (2.501 Å)
主引用文献RNA regulatory networks diversified through curvature of the PUF protein scaffold.
Nat Commun, 6, 2015
5BZ1
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BU of 5bz1 by Molmil
Crystal structure of the RNA-binding domain of yeast Puf5p bound to MFA2 RNA
分子名称: RNA (5'-R(*UP*GP*UP*AP*UP*UP*UP*GP*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 (2.15 Å)
主引用文献RNA regulatory networks diversified through curvature of the PUF protein scaffold.
Nat Commun, 6, 2015
5BZ5
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BU of 5bz5 by Molmil
Crystal structure of the RNA-binding domain of yeast Puf5p bound to AMN1 RNA
分子名称: RNA (5'-R(*UP*GP*UP*AP*AP*CP*UP*UP*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2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献RNA regulatory networks diversified through curvature of the PUF protein scaffold.
Nat Commun, 6, 2015
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
5I26
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BU of 5i26 by Molmil
Azurin T30R1, crystal form I
分子名称: Azurin, COPPER (II) ION
著者Hagelueken, G.
登録日2016-02-08
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.888 Å)
主引用文献Determination of nitroxide spin label conformations via PELDOR and X-ray crystallography.
Phys Chem Chem Phys, 18, 2016
5I28
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BU of 5i28 by Molmil
Azurin T30R1, crystal form II
分子名称: Azurin, COPPER (II) ION, GLYCEROL
著者Hagelueken, G.
登録日2016-02-08
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Determination of nitroxide spin label conformations via PELDOR and X-ray crystallography.
Phys Chem Chem Phys, 18, 2016
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2024-01-31
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
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2017-11-15
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
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2023-12-27
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
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2023-08-30
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2023-08-30
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2023-08-30
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
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2023-08-30
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
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
4H6H
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BU of 4h6h by Molmil
Crystal Structure of Staphylococcal Complement Inhibitor SCIN-B(4-85)
分子名称: Fibrinogen-binding protein
著者Garcia, B.L, Geisbrecht, B.V.
登録日2012-09-19
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5024 Å)
主引用文献A Structurally Dynamic N-terminal Helix Is a Key Functional Determinant in Staphylococcal Complement Inhibitor (SCIN) Proteins.
J.Biol.Chem., 288, 2013
9F40
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BU of 9f40 by Molmil
Crystal structure of the NTD domain from S. cerevisia Niemann-Pick type C protein NCR1 with ergosterol bound
分子名称: ACETONITRILE, DI(HYDROXYETHYL)ETHER, ERGOSTEROL, ...
著者Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein
To Be Published
9F41
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BU of 9f41 by Molmil
Crystal structure of the NTD domain from S. cerevisia Niemann-Pick type C protein NCR1 with cholesterol bound
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHOLESTEROL, DI(HYDROXYETHYL)ETHER, ...
著者Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein
To Be Published
7X7S
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BU of 7x7s by Molmil
Solution structure of human adenylate kinase 1 (hAK1)
分子名称: Adenylate kinase isoenzyme 1
著者Zhang, H.
登録日2022-03-10
公開日2022-05-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献ADP-Induced Conformational Transition of Human Adenylate Kinase 1 Is Triggered by Suppressing Internal Motion of alpha 3 alpha 4 and alpha 7 alpha 8 Fragments on the ps-ns Timescale.
Biomolecules, 12, 2022
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
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2018-11-07
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
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2018-11-07
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
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2018-11-07
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
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2023-10-25
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

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