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2WC4
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Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-thia-(+)-castanospermine
分子名称: (3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Aguilar, M, Gloster, T.M, Turkenburg, J.P, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Garcia Fernandez, J.M.
登録日2009-03-08
公開日2009-04-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Glycosidase Inhibition by Ring-Modified Castanospermine Analogues: Tackling Enzyme Selectivity by Inhibitor Tailoring.
Org.Biomol.Chem., 7, 2009
5JDV
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BU of 5jdv by Molmil
Human carbonic anhydrase II (F131W) complexed with benzo[d]thiazole-2-sulfonamide
分子名称: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
登録日2016-04-17
公開日2017-01-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5JEH
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BU of 5jeh by Molmil
Human carbonic anhydrase II (L198A) complexed with benzo[d]thiazole-2-sulfonamide
分子名称: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
登録日2016-04-18
公開日2017-01-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
4LN4
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BU of 4ln4 by Molmil
The crystal structure of hemagglutinin form a h7n9 influenza virus (a/shanghai/1/2013) in complex with lstb
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Yang, H, Carney, P.J, Chang, J.C, Villanueva, J.M, Stevens, J.
登録日2013-07-11
公開日2013-10-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Analysis of the Hemagglutinin from the Recent 2013 H7N9 Influenza Virus.
J.Virol., 87, 2013
4LN3
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The crystal structure of hemagglutinin from a H7N9 influenza virus (A/Shanghai/1/2013)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Yang, H, Carney, P.J, Chang, J.C, Villanueva, J.M, Stevens, J.
登録日2013-07-11
公開日2013-10-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural Analysis of the Hemagglutinin from the Recent 2013 H7N9 Influenza Virus.
J.Virol., 87, 2013
2UYX
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BU of 2uyx by Molmil
metallo-beta-lactamase (1BC2) single point mutant D120S
分子名称: BETA-LACTAMASE II, GLYCEROL, ZINC ION
著者Larrull, L.I, Fabiane, S.M, Kowalski, J.M, Bennett, B, Sutton, B.J, Vila, A.J.
登録日2007-04-20
公開日2007-05-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Asp-120 locates Zn2 for optimal metallo-beta-lactamase activity.
J. Biol. Chem., 282, 2007
2UWC
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BU of 2uwc by Molmil
Crystal structure of Nasturtium xyloglucan hydrolase isoform NXG2
分子名称: CELLULASE
著者Baumann, M.J, Eklof, J.M, Michel, G, Kallas, A, Teeri, T.T, Brumer, H, Czjzek, M.
登録日2007-03-20
公開日2007-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Evidence for the Evolution of Xyloglucanase Activity from Xyloglucan Endo-Transglycosylases: Biological Implications for Cell Wall Metabolism.
Plant Cell, 19, 2007
4LP7
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BU of 4lp7 by Molmil
Crystal structure of the human metapneumovirus matrix protein
分子名称: CALCIUM ION, CHLORIDE ION, Matrix protein M
著者Leyrat, C, Harlos, K, Grimes, J.M.
登録日2013-07-15
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Structure and self-assembly of the calcium binding matrix protein of human metapneumovirus.
Structure, 22, 2014
5J33
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BU of 5j33 by Molmil
Isopropylmalate dehydrogenase in complex with NAD+
分子名称: 3-isopropylmalate dehydrogenase 2, chloroplastic, MAGNESIUM ION, ...
著者Jez, J.M, Lee, S.G.
登録日2016-03-30
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.492 Å)
主引用文献Structure and Mechanism of Isopropylmalate Dehydrogenase from Arabidopsis thaliana: INSIGHTS ON LEUCINE AND ALIPHATIC GLUCOSINOLATE BIOSYNTHESIS.
J.Biol.Chem., 291, 2016
5JNF
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BU of 5jnf by Molmil
Crystal structure of the LgrA initiation module excluding the Asub domain: F-A-delta-sub
分子名称: FORMIC ACID, Linear gramicidin synthase subunit A
著者Reimer, J.M, Aloise, M.N, Schmeing, T.M.
登録日2016-04-29
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Manipulation of an existing crystal form unexpectedly results in interwoven packing networks with pseudo-translational symmetry
Acta Crystallogr.,Sect.D, 72, 2016
5J6Z
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BU of 5j6z by Molmil
Structure of anastellin bound to beta-strands A and B from the third type III domain of fibronectin
分子名称: Anastellin, Fibronectin
著者Stine, J.M, Briknarova, K.
登録日2016-04-05
公開日2017-04-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Interaction between the Third Type III Domain from Fibronectin and Anastellin Involves beta-Strand Exchange.
Biochemistry, 56, 2017
4L01
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BU of 4l01 by Molmil
Crystal structure of the V658F apo Jak1 pseudokinase domain
分子名称: Tyrosine-protein kinase JAK1
著者Toms, A.V, Rogers, J.M, Eck, M.J.
登録日2013-05-30
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of a pseudokinase-domain switch that controls oncogenic activation of Jak kinases.
Nat.Struct.Mol.Biol., 20, 2013
2V8O
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BU of 2v8o by Molmil
Structure of the Murray Valley encephalitis virus RNA helicase to 1. 9A resolution
分子名称: FLAVIVIRIN PROTEASE NS3
著者Mancini, E.J, Assenberg, R, Verma, A, Walter, T.S, Tuma, R, Grimes, J.M, Owens, R.J, Stuart, D.I.
登録日2007-08-09
公開日2007-08-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the Murray Valley Encephalitis Virus RNA Helicase at 1.9 A Resolution.
Protein Sci., 16, 2007
2VQP
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BU of 2vqp by Molmil
Structure of the matrix protein from human Respiratory Syncytial Virus
分子名称: ACETATE ION, FORMIC ACID, GLYCEROL, ...
著者Money, V.A, McPhee, H.K, Sanderson, J.M, Yeo, R.P.
登録日2008-03-18
公開日2009-02-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Surface Features of a Mononegavirales Matrix Protein Indicate Sites of Membrane Interaction.
Proc.Natl.Acad.Sci.USA, 106, 2009
2VVY
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BU of 2vvy by Molmil
Structure of Vaccinia virus protein B14
分子名称: PROTEIN B15
著者Graham, S.C, Bahar, M.W, Cooray, S, Chen, R.A.-J, Whalen, D.M, Abrescia, N.G.A, Alderton, D, Owens, R.J, Stuart, D.I, Smith, G.L, Grimes, J.M.
登録日2008-06-12
公開日2008-08-26
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (2.693 Å)
主引用文献Vaccinia Virus Proteins A52 and B14 Share a Bcl-2-Like Fold But Have Evolved to Inhibit NF-kappaB Rather Than Apoptosis
Plos Pathog., 4, 2008
2VWR
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BU of 2vwr by Molmil
Crystal structure of the second pdz domain of numb-binding protein 2
分子名称: LIGAND OF NUMB PROTEIN X 2
著者Roos, A.K, Guo, K, Burgess-Brown, N, Yue, W.W, Elkins, J.M, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C.H, Wikstom, M, Edwards, A, von Delft, F, Bountra, C, Doyle, D, Oppermann, U.
登録日2008-06-26
公開日2008-09-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structure of the Second Pdz Domain of the Human Numb-Binding Protein 2
To be Published
2VWD
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BU of 2vwd by Molmil
Nipah Virus Attachment Glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GAMMA-BUTYROLACTONE, ...
著者Bowden, T.A, Crispin, M, Harvey, D.J, Aricescu, A.R, Grimes, J.M, Jones, E.Y, Stuart, D.I.
登録日2008-06-20
公開日2008-10-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure and Carbohydrate Analysis of Nipah Virus Attachment Glycoprotein: A Template for Antiviral and Vaccine Design.
J.Virol., 82, 2008
5K9D
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BU of 5k9d by Molmil
Crystal structure of human dihydroorotate dehydrogenase at 1.7 A resolution
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, CHLORIDE ION, ...
著者Lewis, T.A, Sykes, D.B, Law, J.M, Munoz, B, Scadden, D.T, Rustiguel, J.K, Nonato, M.C, Schreiber, S.L.
登録日2016-05-31
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia.
ACS Med Chem Lett, 7, 2016
2W2F
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BU of 2w2f by Molmil
CRYSTAL STRUCTURE OF SINGLE POINT MUTANT ARG48GLN OF P-COUMARIC ACID DECARBOXYLASE FROM LACTOBACILLUS PLANTARUM STRUCTURAL INSIGHTS INTO THE ACTIVE SITE AND DECARBOXYLATION CATALYTIC MECHANISM
分子名称: BARIUM ION, P-COUMARIC ACID DECARBOXYLASE
著者Rodriguez, H, Angulo, I, De Las Rivas, B, Campillo, N, Paez, J.A, Munoz, R, Mancheno, J.M.
登録日2008-10-29
公開日2010-02-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献P-Coumaric Acid Decarboxylase from Lactobacillus Plantarum: Structural Insights Into the Active Site and Decarboxylation Catalytic Mechanism.
Proteins, 78, 2010
5K9C
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BU of 5k9c by Molmil
Crystal structure of human dihydroorotate dehydrogenase with ML390
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, CHLORIDE ION, ...
著者Lewis, T.A, Sykes, D.B, Law, J.M, Munoz, B, Scadden, D.T, Rustiguel, J.K, Nonato, M.C, Schreiber, S.L.
登録日2016-05-31
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia.
ACS Med Chem Lett, 7, 2016
2W0U
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BU of 2w0u by Molmil
CRYSTAL STRUCTURE OF HUMAN GLYCOLATE OXIDASE IN COMPLEX WITH THE INHIBITOR 5-[(4-CHLOROPHENYL)SULFANYL]- 1,2,3-THIADIAZOLE-4-CARBOXYLATE.
分子名称: 5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate, FLAVIN MONONUCLEOTIDE, HYDROXYACID OXIDASE 1
著者Bourhis, J.M, Lindqvist, Y.
登録日2008-10-10
公開日2009-11-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Structure of Human Glycolate Oxidase in Complex with the Inhibitor 4-Carboxy-5-[(4-Chlorophenyl)Sulfanyl]-1,2,3-Thiadiazole.
Acta Crystallogr.,Sect.F, 65, 2009
2VVE
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Crystal structure of the stem and receptor binding domain of the spike protein P1 from bacteriophage PM2
分子名称: CALCIUM ION, CHLORIDE ION, SPIKE PROTEIN P1
著者Abrescia, N.G.A, Grimes, J.M, Kivela, H.K, Assenberg, R, Sutton, G.C, Butcher, S.J, Bamford, J.K.H, Bamford, D.H, Stuart, D.I.
登録日2008-06-06
公開日2008-09-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Insights Into Virus Evolution and Membrane Biogenesis from the Structure of the Marine Lipid-Containing Bacteriophage Pm2.
Mol.Cell, 31, 2008
2VVF
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Crystal structure of the major capsid protein P2 from Bacteriophage PM2
分子名称: CALCIUM ION, MAJOR CAPSID PROTEIN P2
著者Abrescia, N.G.A, Grimes, J.M, Kivela, H.K, Assenberg, R, Sutton, G.C, Butcher, S.J, Bamford, J.K.H, Bamford, D.H, Stuart, D.I.
登録日2008-06-06
公開日2008-09-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insights Into Virus Evolution and Membrane Biogenesis from the Structure of the Marine Lipid-Containing Bacteriophage Pm2.
Mol.Cell, 31, 2008
4NDD
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BU of 4ndd by Molmil
X-ray structure of a double mutant of calexcitin - a neuronal calcium-signalling protein
分子名称: CALCIUM ION, Calexcitin
著者Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B.
登録日2013-10-25
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein.
Acta Crystallogr.,Sect.D, 71, 2015
4NQ6
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Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 complexed with compound L-CS319
分子名称: (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase 2, POTASSIUM ION, ...
著者Gonzalez, J.M, Gonzalez, M.M, Vila, A.J.
登録日2013-11-23
公開日2014-11-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016

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