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PDB: 33 件

4UX6
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The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, INDUCIBLE, ...
著者Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V.
登録日2014-08-19
公開日2014-10-08
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
3ZPM
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Solution structure of latherin
分子名称: LATHERIN
著者Vance, S.J, MacDonald, R.E, Cooper, A, Kennedy, M.W, Smith, B.O.
登録日2013-02-28
公開日2013-06-26
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The structure of latherin, a surfactant allergen protein from horse sweat and saliva.
J R Soc Interface, 10, 2013
1TI7
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CRYSTAL STRUCTURE OF NMRA, A NEGATIVE TRANSCRIPTIONAL REGULATOR, IN COMPLEX WITH NADP AT 1.7A RESOLUTION
分子名称: CHLORIDE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Lamb, H.K, Leslie, K, Dodds, A.L, Nutley, M, Cooper, A, Johnson, C, Thompson, P, Stammers, D.K, Hawkins, A.R.
登録日2004-06-02
公開日2004-06-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The negative transcriptional regulator NmrA discriminates between oxidized and reduced dinucleotides.
J.Biol.Chem., 278, 2003
3ZQR
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NMePheB25 insulin analogue crystal structure
分子名称: CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ...
著者Antolikova, E, Zakova, L, Turkenburg, J.P, Watson, C.J, Hanclova, I, Sanda, M, Cooper, A, Kraus, T, Brzozowski, A.M, Jiracek, J.A.
登録日2011-06-10
公開日2011-08-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Non-Equivalent Role of Inter- and Intramolecular Hydrogen Bonds in the Insulin Dimer Interface.
J.Biol.Chem., 286, 2011
3ZS2
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TyrB25,NMePheB26,LysB28,ProB29-insulin analogue crystal structure
分子名称: CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ...
著者Antolikova, E, Zakova, L, Turkenburg, J.P, Watson, C.J, Hanclova, I, Sanda, M, Cooper, A, Kraus, T, Brzozowski, A.M, Jiracek, J.A.
登録日2011-06-21
公開日2011-08-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Non-Equivalent Role of Inter- and Intramolecular Hydrogen Bonds in the Insulin Dimer Interface.
J.Biol.Chem., 286, 2011
2WGO
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Structure of ranaspumin-2, a surfactant protein from the foam nests of a tropical frog
分子名称: RANASPUMIN-2
著者Mackenzie, C.D, Smith, B.O, Kennedy, M.W, Cooper, A.
登録日2009-04-21
公開日2009-06-23
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Ranaspumin-2: Structure and Function of a Surfactant Protein from the Foam Nests of a Tropical Frog.
Biophys.J., 96, 2009
4UET
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Diversity in the structures and ligand binding sites among the fatty acid and retinol binding proteins of nematodes revealed by Na-FAR-1 from Necator americanus
分子名称: NEMATODE FATTY ACID RETINOID BINDING PROTEIN
著者Rey-Burusco, M.F, Ibanez Shimabukuro, M, Griffiths, K, Cooper, A, Kennedy, M.W, Corsico, B, Smith, B.O, Griffiths, K.
登録日2014-12-18
公開日2015-09-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Diversity in the Structures and Ligand Binding Sites of Nematode Fatty Acid and Retinol Binding Proteins Revealed by Na-Far-1 from Necator Americanus.
Biochem.J., 471, 2015
6DCG
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Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology
分子名称: (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A.
登録日2018-05-06
公開日2018-08-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
2Y37
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The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
分子名称: 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
著者Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T.N, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V.
登録日2010-12-19
公開日2011-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
6MV1
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2.15A resolution structure of the CS-b5R domains of human Ncb5or (NAD+ form)
分子名称: Cytochrome b5 reductase 4, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Lovell, S, Mehzabeen, N, Battaile, K.P, Benson, D.R, Cooper, A, Gao, P, Zhu, H.
登録日2018-10-24
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structures of the naturally fused CS and cytochrome b5reductase (b5R) domains of Ncb5or reveal an expanded CS fold, extensive CS-b5R interactions and productive binding of the NAD(P)+nicotinamide ring.
Acta Crystallogr D Struct Biol, 75, 2019
6MV2
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2.05A resolution structure of the CS-b5R domains of human Ncb5or (NADP+ form)
分子名称: Cytochrome b5 reductase 4, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Lovell, S, Mehzabeen, N, Battaile, K.P, Benson, D.R, Cooper, A, Gao, P, Zhu, H.
登録日2018-10-24
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of the naturally fused CS and cytochrome b5reductase (b5R) domains of Ncb5or reveal an expanded CS fold, extensive CS-b5R interactions and productive binding of the NAD(P)+nicotinamide ring.
Acta Crystallogr D Struct Biol, 75, 2019
6NTY
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2.1 A resolution structure of the Musashi-2 (Msi2) RNA recognition motif 1 (RRM1) domain
分子名称: PHOSPHATE ION, RNA-binding protein Musashi homolog 2
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Lan, L, Xiaoqing, W, Cooper, A, Gao, F.P, Xu, L.
登録日2019-01-30
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal and solution structures of human oncoprotein Musashi-2 N-terminal RNA recognition motif 1.
Proteins, 88, 2020
8UA5
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Crystal Structure of infected cell protein 0 (ICP0) from herpes simplex virus 1 (A636-Q776)
分子名称: CHLORIDE ION, GLYCEROL, IODIDE ION, ...
著者Lovell, S, Kashipathy, M, Battaile, K.P, Cooper, A, Davido, D.
登録日2023-09-20
公開日2024-02-28
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献HSV-1 ICP0 dimer domain adopts a novel beta-barrel fold.
Proteins, 92, 2024
8UA2
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Crystal Structure of infected cell protein 0 (ICP0) from herpes simplex virus 1 (proteolyzed fragment)
分子名称: IODIDE ION, RL2
著者Lovell, S, Kashipathy, M, Battaile, K.P, Cooper, A, Davido, D.
登録日2023-09-20
公開日2024-02-28
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献HSV-1 ICP0 dimer domain adopts a novel beta-barrel fold.
Proteins, 92, 2024
5HD4
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Dissecting Therapeutic Resistance to ERK Inhibition Rat Wild Type SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide
分子名称: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A.
登録日2016-01-04
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Dissecting Therapeutic Resistance to ERK Inhibition.
Mol.Cancer Ther., 15, 2016
5HD7
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Dissecting Therapeutic Resistance to ERK Inhibition Rat Mutant SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide
分子名称: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A.
登録日2016-01-04
公開日2016-02-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Dissecting Therapeutic Resistance to ERK Inhibition.
Mol.Cancer Ther., 15, 2016
5AE8
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Crystal structure of mouse PI3 kinase delta in complex with GSK2269557
分子名称: 6-(1H-Indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1H-indazole, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Down, K.D, Amour, A, Baldwin, I.R, Cooper, A.W.J, Deakin, A.M, Felton, L.M, Guntrip, S.B, Hardy, C, Harrison, Z.A, Jones, K.L, Jones, P, Keeling, S.E, Le, J, Livia, S, Lucas, F, Lunniss, C.J, Parr, N.J, Robinson, E, Rowland, P, Smith, S, Thomas, D.A, Vitulli, G, Washio, Y, Hamblin, N.
登録日2015-08-26
公開日2015-09-16
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase Gamma for the Treatment of Respiratory Disease.
J.Med.Chem., 58, 2015
5AE9
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Crystal structure of mouse PI3 kinase delta in complex with GSK2292767
分子名称: N-[5-[4-(5-{[(2R,6S)-2,6-DIMETHYL-4-MORPHOLINYL]METHYL}-1,3-OXAZOL-2-YL)-1H-INDAZOL-6-YL]-2-(METHYLOXY)-3-PYRIDINYL]METHANESULFONAMIDE, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Down, K.D, Amour, A, Baldwin, I.R, Cooper, A.W.J, Deakin, A.M, Felton, L.M, Guntrip, S.B, Hardy, C, Harrison, Z.A, Jones, K.L, Jones, P, Keeling, S.E, Le, J, Livia, S, Lucas, F, Lunniss, C.J, Parr, N.J, Robinson, E, Rowland, P, Smith, S, Thomas, D.A, Vitulli, G, Washio, Y, Hamblin, N.
登録日2015-08-26
公開日2015-09-16
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase Gamma for the Treatment of Respiratory Disease.
J.Med.Chem., 58, 2015
1XGK
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CRYSTAL STRUCTURE OF N12G AND A18G MUTANT NMRA
分子名称: CHLORIDE ION, GLYCEROL, NITROGEN METABOLITE REPRESSION REGULATOR NMRA, ...
著者Lamb, H.K, Ren, J, Park, A, Johnson, C, Leslie, K, Cocklin, S, Thompson, P, Mee, C, Cooper, A, Stammers, D.K, Hawkins, A.R.
登録日2004-09-17
公開日2004-12-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Modulation of the ligand binding properties of the transcription repressor NmrA by GATA-containing DNA and site-directed mutagenesis
Protein Sci., 13, 2004
8F45
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Crystal structure of SARS-CoV-2 3CL protease in complex with a phenyl dimethyl sulfane inhibitor (cyclopropyl ketoamide warhead)
分子名称: (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(2~{S},3~{S})-3-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase
著者Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C.
登録日2022-11-10
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
8F46
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Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor (cyano warhead)
分子名称: 3C-like proteinase, N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide, TETRAETHYLENE GLYCOL
著者Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C.
登録日2022-11-10
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
8F44
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Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor
分子名称: (1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase, ...
著者Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C.
登録日2022-11-10
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
4QYY
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Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State
分子名称: (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A.
登録日2014-07-26
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase.
J.Med.Chem., 57, 2014
2VH3
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ranasmurfin
分子名称: GLYCEROL, RANASMURFIN, SULFATE ION, ...
著者Oke, M, Ching, R.T, Carter, L.G, Johnson, K.A, Liu, H, McMahon, S.A, Bloch Junior, C, Botting, C.H, Walsh, M.A, Latiff, A.A, Kennedy, M.W, Cooper, A, Naismith, J.H.
登録日2007-11-17
公開日2007-12-04
最終更新日2011-08-31
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Unusual Chromophore and Cross-Links in Ranasmurfin: A Blue Protein from the Foam Nests of a Tropical Frog.
Angew.Chem.Int.Ed.Engl., 47, 2008
2XV9
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The solution structure of ABA-1A saturated with oleic acid
分子名称: ABA-1A1 REPEAT UNIT
著者Smith, B.O, Kennedy, M.W, Cooper, A, Meenan, N.A.G, Bromek, K.
登録日2010-10-25
公開日2011-08-10
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution structure of a repeated unit of the ABA-1 nematode polyprotein allergen of Ascaris reveals a novel fold and two discrete lipid-binding sites.
PLoS Negl Trop Dis, 5, 2011

 

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