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4L5F
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BU of 4l5f by Molmil
Crystal Structure of DENV1-E106 Fab bound to DENV-1 Envelope protein DIII
分子名称: Envelope protein, Heavy chain of E106 antibody (VH and CH1 of IgG2c), Light chain of E106 antibody (kappa)
著者Edeling, M.A, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-06-11
公開日2013-12-11
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of DENV1-E106 Fab bound to DENV-1 Envelope protein DIII
To be Published
4AJ4
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BU of 4aj4 by Molmil
rat LDHA in complex with 4-((2-allylsulfanyl-1,3-benzothizol-6-yl) amino)-4-oxo-butanoic acid
分子名称: 4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION
著者Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G.
登録日2012-02-15
公開日2012-03-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJK
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BU of 4ajk by Molmil
rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide
分子名称: GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, ...
著者Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Greenwood, R.
登録日2012-02-16
公開日2012-03-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJI
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BU of 4aji by Molmil
rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid
分子名称: 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, L-LACTATE DEHYDROGENASE A CHAIN
著者Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Debreczeni, J.
登録日2012-02-16
公開日2012-03-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
3MKP
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BU of 3mkp by Molmil
Crystal structure of 1K1 mutant of Hepatocyte Growth Factor/Scatter Factor fragment NK1 in complex with heparin
分子名称: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Gherardi, E, Chirgadze, D.Y, Blundell, T.L.
登録日2010-04-15
公開日2010-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Engineering a fragment of Hepatocyte Growth Factor/Scatter Factor for tissue and organ regeneration
To be Published
1AIF
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BU of 1aif by Molmil
ANTI-IDIOTYPIC FAB 409.5.3 (IGG2A) FAB FROM MOUSE
分子名称: ANTI-IDIOTYPIC FAB 409.5.3 (IGG2A) FAB (HEAVY CHAIN), ANTI-IDIOTYPIC FAB 409.5.3 (IGG2A) FAB (LIGHT CHAIN)
著者Ban, N, Escobar, C, Hasel, K, Day, J, Greenwood, A, McPherson, A.
登録日1994-11-14
公開日1997-02-01
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of an anti-idiotypic Fab against feline peritonitis virus-neutralizing antibody and a comparison with the complexed Fab.
FASEB J., 9, 1995
6BFS
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BU of 6bfs by Molmil
The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies
分子名称: Fab Heavy Chain, Fab light Chain, Granulocyte-macrophage colony-stimulating factor
著者Dhagat, U, Hercus, T.R, Broughton, S.E, Nero, T.L, Lopez, A.F, Parker, M.W.
登録日2017-10-26
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies suggests novel therapeutic opportunities.
MAbs, 10, 2018
6B2E
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BU of 6b2e by Molmil
Structure of full length human AMPK (a2b2g1) in complex with a small molecule activator SC4.
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ...
著者Ngoei, K.R.W, Langendorf, C.G, Ling, N.X.Y, Hoque, A, Johnson, S, Camerino, M.C, Walker, S.R, Bozikis, Y.E, Dite, T.A, Ovens, A.J, Smiles, W.J, Jacobs, R, Huang, H, Parker, M.W, Scott, J.W, Rider, M.H, Kemp, B.E, Foitzik, R.C, Baell, J.B, Oakhill, J.S.
登録日2017-09-19
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural Determinants for Small-Molecule Activation of Skeletal Muscle AMPK alpha 2 beta 2 gamma 1 by the Glucose Importagog SC4.
Cell Chem Biol, 25, 2018
6B1U
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BU of 6b1u by Molmil
Structure of full-length human AMPK (a2b1g1) in complex with a small molecule activator SC4
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
著者Ngoei, K.R.W, Langendorf, C.G, Ling, N.X.Y, Hoque, A, Johnson, S, Camerino, M.C, Walker, S.R, Bozikis, Y.E, Dite, T.A, Ovens, A.J, Smiles, W.J, Jacobs, R, Huang, H, Parker, M.W, Scott, J.W, Rider, M.H, Kemp, B.E, Foitzik, R.C, Baell, J.B, Oakhill, J.S.
登録日2017-09-19
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural Determinants for Small-Molecule Activation of Skeletal Muscle AMPK alpha 2 beta 2 gamma 1 by the Glucose Importagog SC4.
Cell Chem Biol, 25, 2018
4PIK
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BU of 4pik by Molmil
Crystal Structure of Banana Lectin bound to dimannose
分子名称: GLYCEROL, Ripening-associated protein, alpha-D-mannopyranose, ...
著者Meagher, J.L, Stuckey, J.A.
登録日2014-05-08
公開日2015-11-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering a Therapeutic Lectin by Uncoupling Mitogenicity from Antiviral Activity.
Cell, 163, 2015
5CW2
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BU of 5cw2 by Molmil
Crystal structure of Epoxide Hydrolase A from Mycobacterium thermoresistibile
分子名称: 1,3-DIPHENYLUREA, Putative epoxide hydrolase EPHA, SODIUM ION
著者Schulz, E.C, Wilmanns, M.
登録日2015-07-27
公開日2016-08-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of mycobacterial Epoxide Hydrolase A
To Be Published
6BFQ
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BU of 6bfq by Molmil
The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies
分子名称: Fab Heavy chain, Fab Light Chain, Granulocyte-macrophage colony-stimulating factor
著者Dhagat, U, Hercus, T.R, Broughton, S.E, Nero, T.L, Lopez, A.F, Parker, M.W.
登録日2017-10-26
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies suggests novel therapeutic opportunities.
MAbs, 10, 2018
3VJK
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BU of 3vjk by Molmil
Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with MP-513
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, Dipeptidyl peptidase 4, ...
著者Akahoshi, F, Kishida, H, Miyaguchi, I, Yoshida, T, Ishii, S.
登録日2011-10-24
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine): A highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem., 20, 2012
4PIT
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BU of 4pit by Molmil
Crystal Structure of Banana Lectin H84T bound to dimannose
分子名称: GLYCEROL, Ripening-associated protein, alpha-D-mannopyranose, ...
著者Meagher, J.L, Stuckey, J.A.
登録日2014-05-09
公開日2015-11-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Engineering a Therapeutic Lectin by Uncoupling Mitogenicity from Antiviral Activity.
Cell, 163, 2015
4O1M
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BU of 4o1m by Molmil
Toxoplasma gondii Enoyl acyl carrier protein reductase
分子名称: Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Muench, S.P, Wilkinson, C, Prigge, S.T, Rice, D.W.
登録日2013-12-16
公開日2014-02-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The benzimidazole based drugs show good activity against T. gondii but poor activity against its proposed enoyl reductase enzyme target
Bioorg.Med.Chem.Lett., 24, 2014
8TH3
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BU of 8th3 by Molmil
Structure of AT118-H Nanobody Antagonist in Complex with the Angiotensin II Type I Receptor
分子名称: AT118-H nanobody, Type-1 angiotensin II receptor, Soluble cytochrome b562 complex, ...
著者Skiba, M.A, Kruse, A.C.
登録日2023-07-13
公開日2024-05-22
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Antibodies expand the scope of angiotensin receptor pharmacology.
Nat.Chem.Biol., 2024
8TH4
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BU of 8th4 by Molmil
Structure of AT118-L Nanobody Antagonist in Complex with the Angiotensin II Type I Receptor and Losartan
分子名称: AT118-L Nanobody, BAG2 Anti-BRIL Fab Heavy Chain, BAG2 Anti-BRIL Fab Light Chain, ...
著者Skiba, M.A, Kruse, A.C.
登録日2023-07-13
公開日2024-05-22
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Antibodies expand the scope of angiotensin receptor pharmacology.
Nat.Chem.Biol., 2024
3VJL
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BU of 3vjl by Molmil
Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with a prolylthiazolidine inhibitor #2
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, Dipeptidyl peptidase 4, ...
著者Akahoshi, F, Kishida, H, Miyaguchi, I, Yoshida, T, Ishii, S.
登録日2011-10-24
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.393 Å)
主引用文献Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine): A highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem., 20, 2012
4PIF
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BU of 4pif by Molmil
Crystal Structure of recombinant WT Banana Lectin
分子名称: GLYCEROL, Ripening-associated protein
著者Meagher, J.L, Stuckey, J.A.
登録日2014-05-08
公開日2015-11-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering a Therapeutic Lectin by Uncoupling Mitogenicity from Antiviral Activity.
Cell, 163, 2015
4PIU
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BU of 4piu by Molmil
CRYSTAL STRUCTURE OF BANANA LECTIN H84T MUTANT
分子名称: GLYCEROL, Ripening-associated protein, SODIUM ION
著者Meagher, J.L, Stuckey, J.A.
登録日2014-05-09
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering a Therapeutic Lectin by Uncoupling Mitogenicity from Antiviral Activity.
Cell, 163, 2015
3KVD
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BU of 3kvd by Molmil
Crystal structure of the Neisseria meningitidis Factor H binding protein, fHbp (GNA1870) at 2.0 A resolution
分子名称: Lipoprotein
著者Cendron, L, Veggi, D, Girardi, E, Zanotti, G.
登録日2009-11-30
公開日2010-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the uncomplexed Neisseria meningitidis factor H-binding protein fHbp (rLP2086).
Acta Crystallogr.,Sect.F, 67, 2011
4PP9
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BU of 4pp9 by Molmil
ITK kinase domain with compound 1 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-2H-INDAZOLE-3-CARBOXAMIDE)
分子名称: N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-2H-indazole-3-carboxamide, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者Eigenbrot, C, Shia, S.
登録日2014-02-26
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
7AM1
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BU of 7am1 by Molmil
Structure of yeast Ssd1, a pseudonuclease
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PENTAETHYLENE GLYCOL, Protein SSD1
著者Cook, A.G, Jayachandran, U.
登録日2020-10-07
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Yeast Ssd1 is a non-enzymatic member of the RNase II family with an alternative RNA recognition site.
Nucleic Acids Res., 50, 2022
6I9I
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BU of 6i9i by Molmil
Rift valley fever virus Gn in complex with a neutralizing antibody fragment
分子名称: Glycoprotein, RV-Gn1 Heavy chain, RV-Gn1 Light chain
著者Allen, E.R, Bowden, T.A.
登録日2018-11-23
公開日2018-12-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献A Protective Monoclonal Antibody Targets a Site of Vulnerability on the Surface of Rift Valley Fever Virus.
Cell Rep, 25, 2018
2PMW
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BU of 2pmw by Molmil
The Crystal Structure of Proprotein convertase subtilisin kexin type 9 (PCSK9)
分子名称: Proprotein convertase subtilisin/kexin type 9, SULFATE ION
著者Piper, D.E, Romanow, W.G, Thibault, S.T, Walker, N.P.C.
登録日2007-04-23
公開日2007-05-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Crystal Structure of PCSK9: A Regulator of Plasma LDL-Cholesterol.
Structure, 15, 2007

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