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4QPW
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BU of 4qpw by Molmil
BiXyn10A CBM1 with Xylohexaose Bound
分子名称: beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, glycosyl hydrolase family 10
著者Chekan, J.R, Nair, S.K.
登録日2014-06-25
公開日2014-08-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Xylan utilization in human gut commensal bacteria is orchestrated by unique modular organization of polysaccharide-degrading enzymes.
Proc.Natl.Acad.Sci.USA, 111, 2014
8UAT
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BU of 8uat by Molmil
Thermus scotoductus SA-01 Ene-reductase Compound 3b Complex
分子名称: 1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
著者Wilson, L.A, Guddat, L.W, Schenk, G, Scott, C.
登録日2023-09-22
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Catalysts, 14, 2024
8UAS
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BU of 8uas by Molmil
Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 1a
分子名称: 1-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ...
著者Wilson, L.A, Guddat, L.W, Schenk, G, Scott, C.
登録日2023-09-22
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Catalysts, 14, 2024
8UAR
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BU of 8uar by Molmil
Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 4b
分子名称: 1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ...
著者Wilson, L.A, Schenk, G, Guddat, L.W, Scott, C.
登録日2023-09-22
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Catalysts, 14, 2024
3RWP
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BU of 3rwp by Molmil
Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1)
分子名称: 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
著者Greasley, S.E, Hickey, M, Ferre, R.-A, Krauss, M, Cronin, C.
登録日2011-05-09
公開日2011-11-16
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1).
J.Med.Chem., 54, 2011
3SC1
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BU of 3sc1 by Molmil
Novel Isoquinolone PDK1 Inhibitors Discovered through Fragment-Based Lead Discovery
分子名称: 3-phosphoinositide-dependent protein kinase 1, 6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, ...
著者Greasley, S.E, Ferre, R.-A, Krauss, M, Cronin, C.
登録日2011-06-06
公開日2011-10-26
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Novel isoquinolone PDK1 inhibitors discovered through fragment-based lead discovery.
J Comput Aided Mol Des, 25, 2011
4KBR
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BU of 4kbr by Molmil
Crystal structure of mouse Ceramide-1-phosphate transfer protein (apo-form)
分子名称: Glycolipid transfer protein domain-containing protein 1, PHOSPHATE ION
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-23
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.547 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
8VTT
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BU of 8vtt by Molmil
Meis1 homeobox domain bound to neomycin fragment
分子名称: Homeobox protein Meis1, RIBOSTAMYCIN, SULFATE ION
著者Tomchick, D.R, Ahmed, M.S, Nguyen, N.U.N, Sadek, H.A.
登録日2024-01-27
公開日2024-02-14
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Identification of FDA-Approved Drugs That Induce Heart Regeneration in Mammals
to be published
8VTS
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BU of 8vts by Molmil
Meis1 homeobox domain bound to paromomycin fragment
分子名称: 1,2-ETHANEDIOL, Homeobox protein Meis1, ISOPROPYL ALCOHOL, ...
著者Tomchick, D.R, Ahmed, M.S, Nguyen, N.U.N.
登録日2024-01-27
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Identification of FDA-Approved Drugs That Induce Heart Regeneration in Mammals
to be published
4K84
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BU of 4k84 by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 16:0 ceramide-1-phosphate (16:0-C1P)
分子名称: (2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-17
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
4QNZ
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BU of 4qnz by Molmil
Crystal structure of rhomboid intramembrane protease GlpG F146I in complex with peptide derived inhibitor Ac-FATA-cmk
分子名称: ACE-PHE-ALA-THR-ALA-0QE, CHLORIDE ION, Rhomboid protease GlpG, ...
著者Zoll, S, Strisovsky, K.
登録日2014-06-19
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Substrate binding and specificity of rhomboid intramembrane protease revealed by substrate-peptide complex structures.
Embo J., 33, 2014
3T0L
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BU of 3t0l by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
分子名称: 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ...
著者Thiel, P, Ottmann, C.
登録日2011-07-20
公開日2012-12-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
4K80
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BU of 4k80 by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 2:0 ceramide-1-phosphate (2:0-C1P)
分子名称: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-17
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
4KF6
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BU of 4kf6 by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 8:0 Ceramide-1-Phosphate (8:0-C1P)
分子名称: (2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-26
公開日2013-07-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.195 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
4K85
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BU of 4k85 by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 12:0 Ceramide-1-Phosphate (12:0-C1P)
分子名称: (2S,3R,4E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-17
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
4K8N
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BU of 4k8n by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 18:1 Ceramide-1-Phosphate (18:1-C1P)
分子名称: (2S,3R,4Z)-3-hydroxy-2-[(9E)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-18
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
3T0M
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BU of 3t0m by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
分子名称: (2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Thiel, P, Ottmann, C.
登録日2011-07-20
公開日2012-12-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
3U1Y
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BU of 3u1y by Molmil
Potent Inhibitors of LpxC for the Treatment of Gram-Negative Infections
分子名称: (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
著者Brown, M, Abramite, J, Liu, S.
登録日2011-09-30
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent inhibitors of LpxC for the treatment of Gram-negative infections.
J.Med.Chem., 55, 2012
3PTY
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BU of 3pty by Molmil
Crystal structure of the C-terminal extracellular domain of Mycobacterium tuberculosis EmbC
分子名称: Arabinosyltransferase C, CALCIUM ION, PHOSPHATE ION, ...
著者Alderwick, L.J, Besra, G.S, Futterer, K.
登録日2010-12-03
公開日2010-12-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The C-Terminal Domain of the Arabinosyltransferase Mycobacterium tuberculosis EmbC Is a Lectin-Like Carbohydrate Binding Module.
Plos Pathog., 7, 2011
2DWT
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BU of 2dwt by Molmil
Cu-containing nitrite reductase at pH 6.0 with bound nitrite
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION
著者Jacobson, F.
登録日2006-08-17
公開日2006-12-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献pH Dependence of Copper Geometry, Reduction Potential, and Nitrite Affinity in Nitrite Reductase
J.Biol.Chem., 282, 2007
4NTO
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BU of 4nto by Molmil
Crystal structure of D60A mutant of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with C2 ceramide-1-phosphate (d18:1/2:0) at 2.15 Angstrom resolution
分子名称: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, DI(HYDROXYETHYL)ETHER, accelerated-cell-death 11
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-12-02
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.152 Å)
主引用文献Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels.
Cell Rep, 6, 2014
4NT1
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BU of 4nt1 by Molmil
Crystal structure of apo-form of Arabidopsis ACD11 (accelerated-cell-death 11) at 1.8 Angstrom resolution
分子名称: SODIUM ION, accelerated-cell-death 11
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-11-29
公開日2014-02-05
最終更新日2014-02-19
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels.
Cell Rep, 6, 2014
4NT2
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BU of 4nt2 by Molmil
Crystal structure of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with lyso-sphingomyelin (d18:1) at 2.4 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, 2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium, SULFATE ION, ...
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-11-29
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels.
Cell Rep, 6, 2014
4NTI
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BU of 4nti by Molmil
Crystal structure of D60N mutant of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with C12 ceramide-1-phosphate (d18:1/12:0) at 2.9 Angstrom resolution
分子名称: (2S,3R,4E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, DI(HYDROXYETHYL)ETHER, accelerated-cell-death 11
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-12-02
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.899 Å)
主引用文献Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels.
Cell Rep, 6, 2014
4FEH
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BU of 4feh by Molmil
Mycobacterium tuberculosis DprE1 - hexagonal crystal form
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, oxidoreductase DprE1
著者Batt, S.M, Besra, G.S, Futterer, K.
登録日2012-05-30
公開日2012-07-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.035 Å)
主引用文献Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012

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件を2024-07-10に公開中

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