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5O9A
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BU of 5o9a by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L504Y-N775S) in complex with glutamate and BPAM121 at 1.78 A resolution
分子名称: 1,2-ETHANEDIOL, 7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide, CHLORIDE ION, ...
著者Laulumaa, S, Rovinskaja, K, Frydenvang, K.A, Kastrup, J.S.
登録日2017-06-16
公開日2018-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献7-Phenoxy-Substituted 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides as Positive Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors with Nanomolar Potency.
J. Med. Chem., 61, 2018
5CGP
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BU of 5cgp by Molmil
Selective pharmacological inhibition of the CREB binding protein bromodomain regulates inflammatory cytokines in macrophages and RGS4 in neurons
分子名称: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, CREB-binding protein
著者Chekler, E.L, Jones, L.H.
登録日2015-07-09
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Transcriptional Profiling of a Selective CREB Binding Protein Bromodomain Inhibitor Highlights Therapeutic Opportunities.
Chem.Biol., 22, 2015
5CFW
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BU of 5cfw by Molmil
Selective pharmacological inhibition of the CREB binding protein bromodomain regulates inflammatory cytokines in macrophages and RGS4 in neurons
分子名称: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, Bromodomain-containing protein 4
著者Chekler, E.L, Jones, L.H.
登録日2015-07-08
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Transcriptional Profiling of a Selective CREB Binding Protein Bromodomain Inhibitor Highlights Therapeutic Opportunities.
Chem.Biol., 22, 2015
4GMC
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BU of 4gmc by Molmil
Crystal structure of HCV NS5B polymerase in complex with a thumb inhibitor
分子名称: 3-cyclohexyl-2-(furan-3-yl)-1-[2-(morpholin-4-yl)-2-oxoethyl]-N-(phenylsulfonyl)-1H-indole-6-carboxamide, NS5B polymerase, SULFATE ION
著者Coulombe, R.
登録日2012-08-15
公開日2013-02-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Allosteric N-acetamide-indole-6-carboxylic acid thumb pocket 1 inhibitors of hepatitis C virus NS5B polymerase - Acylsulfonamides and acylsulfamides as carboxylic acid replacements
Can.J.Chem., 91, 2013
3NS7
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BU of 3ns7 by Molmil
Succinic Acid Amides as P2-P3 Replacements for Inhibitors of Interleukin-1beta Converting Enzyme (ICE or Caspase 1)
分子名称: (3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid, Caspase-1
著者Galatsis, P.
登録日2010-07-01
公開日2011-08-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Succinic acid amides as P2-P3 replacements for inhibitors of interleukin-1beta converting enzyme (ICE or caspase 1).
Bioorg.Med.Chem.Lett., 20, 2010
5V8K
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BU of 5v8k by Molmil
Homodimeric reaction center of H. modesticaldum
分子名称: 1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-3-[HEXADECANAL-1-YL]-GLYCEROL, 4,4'-Diaponeurosporene, 8(1)-OH-Chlorophyll aF, ...
著者Gisriel, C, Sarrou, I, Ferlez, B, Golbeck, J, Redding, K.E, Fromme, R.
登録日2017-03-22
公開日2017-09-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of a symmetric photosynthetic reaction center-photosystem.
Science, 357, 2017
1PPF
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BU of 1ppf by Molmil
X-RAY CRYSTAL STRUCTURE OF THE COMPLEX OF HUMAN LEUKOCYTE ELASTASE (PMN ELASTASE) AND THE THIRD DOMAIN OF THE TURKEY OVOMUCOID INHIBITOR
分子名称: HUMAN LEUKOCYTE ELASTASE, TURKEY OVOMUCOID INHIBITOR (OMTKY3), alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bode, W, Wei, A-Z.
登録日1991-10-24
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystal structure of the complex of human leukocyte elastase (PMN elastase) and the third domain of the turkey ovomucoid inhibitor.
EMBO J., 5, 1986
2NV5
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BU of 2nv5 by Molmil
Crystal structure of a C-terminal phosphatase domain of Rattus norvegicus ortholog of human protein tyrosine phosphatase, receptor type, D (PTPRD)
分子名称: protein-tyrosine-phosphatase
著者Bonanno, J.B, Gilmore, J, Bain, K.T, Iizuka, M, Xu, W, Wasserman, S, Smith, D, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-11-10
公開日2006-11-21
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
7AVH
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BU of 7avh by Molmil
Streptococcal High Identity Repeats in Tandem (SHIRT) domains 3-4 from cell surface protein SGO_0707
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, LPXTG cell wall surface protein
著者Whelan, F, Jenkins, H.T, Potts, J.R.
登録日2020-11-05
公開日2021-06-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Periscope Proteins are variable-length regulators of bacterial cell surface interactions.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AVJ
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BU of 7avj by Molmil
Streptococcal High Identity Repeats in Tandem (SHIRT) domain 2 from cell surface protein SGO_0707
分子名称: LPXTG cell wall surface protein
著者Whelan, F, Jenkins, H.T, Potts, J.R.
登録日2020-11-05
公開日2021-06-09
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Periscope Proteins are variable-length regulators of bacterial cell surface interactions.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M6K
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BU of 7m6k by Molmil
Crystal structure of the ARM domain from Drosophila SARM1 in complex with VMN
分子名称: 3-({[(4-nitrophenyl)carbamoyl]amino}methyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-1-ium, Isoform B of NAD(+) hydrolase sarm1, SODIUM ION
著者Gu, W, Luo, Z, Kobe, B.
登録日2021-03-25
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Neurotoxin-mediated potent activation of the axon degeneration regulator SARM1.
Elife, 10, 2021
2MI5
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BU of 2mi5 by Molmil
Structure of insect-specific sodium channel toxin mu-Dc1a
分子名称: Mu-diguetoxin-Dc1a
著者Bende, N.S, Mobli, M, King, G.F.
登録日2013-12-08
公開日2014-07-23
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A distinct sodium channel voltage-sensor locus determines insect selectivity of the spider toxin Dc1a.
Nat Commun, 5, 2014
3HXQ
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BU of 3hxq by Molmil
Crystal Structure of Von Willebrand Factor (VWF) A1 Domain in Complex with DNA Aptamer ARC1172, an Inhibitor of VWF-Platelet Binding
分子名称: Aptamer ARC1172, von Willebrand Factor
著者Huang, R.H, Sadler, J.E, Fremont, D.H, Diener, J.L, Schaub, R.G.
登録日2009-06-21
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.694 Å)
主引用文献A structural explanation for the antithrombotic activity of ARC1172, a DNA aptamer that binds von Willebrand factor domain A1.
Structure, 17, 2009
3HXO
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BU of 3hxo by Molmil
Crystal Structure of Von Willebrand Factor (VWF) A1 Domain in Complex with DNA Aptamer ARC1172, an Inhibitor of VWF-Platelet Binding
分子名称: Aptamer ARC1172, von Willebrand factor
著者Huang, R.H, Sadler, J.E, Fremont, D.H, Diener, J.L, Schaub, R.G.
登録日2009-06-21
公開日2009-11-17
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A structural explanation for the antithrombotic activity of ARC1172, a DNA aptamer that binds von Willebrand factor domain A1.
Structure, 17, 2009
5BUH
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BU of 5buh by Molmil
Influenza PB2 bound to a hydroxymethyl azaindole inhibitor
分子名称: N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2015-06-03
公開日2016-06-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza.
ACS Med Chem Lett, 8, 2017
5J0I
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BU of 5j0i by Molmil
De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity
分子名称: Designed protein 2L6HC3_12
著者Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G.
登録日2016-03-28
公開日2016-05-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
5J0L
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BU of 5j0l by Molmil
De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity
分子名称: designed protein 3L6HC2_2
著者Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G.
登録日2016-03-28
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
5J0J
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BU of 5j0j by Molmil
De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity
分子名称: designed protein 2L6HC3_6
著者Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G.
登録日2016-03-28
公開日2016-05-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.256 Å)
主引用文献De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
5J0K
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BU of 5j0k by Molmil
De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity
分子名称: designed protein 2L4HC2_23
著者Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G.
登録日2016-03-28
公開日2016-05-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
5J0H
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BU of 5j0h by Molmil
De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity
分子名称: Design construct 2L6HC3_13
著者Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G.
登録日2016-03-28
公開日2016-05-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
5J10
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BU of 5j10 by Molmil
De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity
分子名称: peptide design 2L4HC2_24
著者Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G.
登録日2016-03-28
公開日2016-05-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
5J73
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De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity
分子名称: protein design 2L4HC2_9
著者Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G.
登録日2016-04-05
公開日2016-05-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
5J2L
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BU of 5j2l by Molmil
De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity
分子名称: protein design 2L4HC2_11
著者Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G.
登録日2016-03-29
公開日2016-05-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
5F79
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BU of 5f79 by Molmil
Influenza PB2 bound to an azaindole inhibitor
分子名称: N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2015-12-07
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza.
ACS Med Chem Lett, 8, 2017
5FDY
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BU of 5fdy by Molmil
Crystal structure of the Voltage-gated Sodium Channel Beta 2 subunit extracellular domain, C72A/C75A mutant
分子名称: GLYCEROL, Sodium channel subunit beta-2
著者Das, S, Van Petegem, F.
登録日2015-12-16
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Binary architecture of the Nav1.2-beta 2 signaling complex.
Elife, 5, 2016

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