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2UVO
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BU of 2uvo by Molmil
High Resolution Crystal Structure of Wheat Germ Agglutinin in Complex with N-Acetyl-D-Glucosamine
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, AGGLUTININ ISOLECTIN 1, ...
著者Schwefel, D, Wittmann, V, Diederichs, K, Welte, W.
登録日2007-03-13
公開日2008-05-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Basis of Multivalent Binding to Wheat Germ Agglutinin.
J.Am.Chem.Soc., 132, 2010
2RIB
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BU of 2rib by Molmil
Crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with L-glycero-D-manno-heptose
分子名称: CALCIUM ION, L-glycero-alpha-D-manno-heptopyranose, Pulmonary surfactant-associated protein D
著者Wang, H, Head, J, Kosma, P, Sheikh, S, McDonald, B, Smith, K, Cafarella, T, Seaton, B, Crouch, E.
登録日2007-10-10
公開日2008-01-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
Biochemistry, 47, 2008
4ZWC
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BU of 4zwc by Molmil
Crystal structure of maltose-bound human GLUT3 in the outward-open conformation at 2.6 angstrom
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
著者Deng, D, Sun, P.C, Yan, C.Y, Yan, N.
登録日2015-05-19
公開日2015-07-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular basis of ligand recognition and transport by glucose transporters
Nature, 526, 2015
1NJJ
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BU of 1njj by Molmil
Crystal structure determination of T. brucei ornithine decarboxylase bound to D-ornithine and to G418
分子名称: GENETICIN, N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-ORNITHINE, ornithine decarboxylase
著者Jackson, L.K, Goldsmith, E.J, Phillips, M.A.
登録日2002-12-31
公開日2003-08-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献X-ray Structure Determination of Trypanosoma brucei Ornithine Decarboxylase Bound to D-Ornithine and to G418: INSIGHTS INTO SUBSTRATE BINDING AND ODC CONFORMATIONAL FLEXIBILITY.
J.Biol.Chem., 278, 2003
4GMT
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BU of 4gmt by Molmil
Crystal structure of heterosubtypic Fab S139/1
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, Fab S139/1 heavy chain, ...
著者Lee, P.S, Ekiert, D.C, Wilson, I.A.
登録日2012-08-16
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Heterosubtypic antibody recognition of the influenza virus hemagglutinin receptor binding site enhanced by avidity.
Proc.Natl.Acad.Sci.USA, 109, 2012
5NZ8
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BU of 5nz8 by Molmil
Clostridium thermocellum cellodextrin phosphorylase with cellotetraose and phosphate bound
分子名称: Cellodextrin phosphorylase, PHOSPHATE ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者O'Neill, E.C, Pergolizzi, G, Stevenson, C.E.M, Lawson, D.M, Nepogodiev, S.A, Field, R.A.
登録日2017-05-12
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Cellodextrin phosphorylase from Ruminiclostridium thermocellum: X-ray crystal structure and substrate specificity analysis.
Carbohydr. Res., 451, 2017
1EEG
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BU of 1eeg by Molmil
A(GGGG)A HEXAD PAIRING ALIGMENT FOR THE D(G-G-A-G-G-A-G) SEQUENCE
分子名称: DNA (5'-D(*GP*GP*AP*GP*GP*A)-3')
著者Kettani, A, Gorin, A, Majumdar, A, Hermann, T, Skripkin, E, Zhao, H, Jones, R, Patel, D.J.
登録日2000-01-31
公開日2000-04-02
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A dimeric DNA interface stabilized by stacked A.(G.G.G.G).A hexads and coordinated monovalent cations.
J.Mol.Biol., 297, 2000
5IEG
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BU of 5ieg by Molmil
Murine endoplasmic reticulum alpha-glucosidase II with N-9'-methoxynonyl-1-deoxynojirimycin.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
登録日2016-02-25
公開日2016-07-27
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.822 Å)
主引用文献Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
5I4O
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BU of 5i4o by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate zinc-chelator water-soluble inhibitor (DC28).
分子名称: CALCIUM ION, Macrophage metalloelastase, N-({1-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1H-1,2,3-triazol-4-yl}methyl)-N-[([1,1'-biphenyl]-4-yl)sulfonyl]-D-valine, ...
著者Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
登録日2016-02-12
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
2RIE
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BU of 2rie by Molmil
Crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with 2-deoxy-L-glycero-D-manno-heptose
分子名称: 2-deoxy-beta-L-galacto-heptopyranose, CALCIUM ION, Pulmonary surfactant-associated protein D
著者Wang, H, Head, J, Kosma, P, Sheikh, S, McDonald, B, Smith, K, Cafarella, T, Seaton, B, Crouch, E.
登録日2007-10-10
公開日2008-01-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
Biochemistry, 47, 2008
7AEN
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BU of 7aen by Molmil
Galectin-8 N-terminal carbohydrate recognition domain in complex with methyl 3-O-((7-carboxy)quinolin-2-yl)-methoxy)-beta-D-galactopyranoside
分子名称: CHLORIDE ION, GLYCEROL, Isoform 2 of Galectin-8, ...
著者Hassan, M, Klavern, V.S, Hakansson, M, Anderluh, M, Tomasic, T, Jakopin, Z, Nilsson, J.U, Kovacic, R, Walse, B, Diehl, C.
登録日2020-09-17
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain
Acs Med.Chem.Lett., 12, 2021
4GIQ
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BU of 4giq by Molmil
Crystal Structure of mouse RANK bound to RANKL
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, SODIUM ION, ...
著者Nelson, C.A, Wang, M.W.-H, Fremont, D.H.
登録日2012-08-08
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献RANKL Employs Distinct Binding Modes to Engage RANK and the Osteoprotegerin Decoy Receptor.
Structure, 20, 2012
5I2Z
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BU of 5i2z by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelating water-soluble inhibitor (DC24).
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
登録日2016-02-09
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
3D15
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BU of 3d15 by Molmil
Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-(3-chloro-phenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)- ethyl]-thiazol-2-yl}-urea [SNS-314]
分子名称: 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea, serine/threonine kinase 6
著者Elling, R.A, Bui, M, Allen, D.A, Oslob, J.D, Romanowski, M.J.
登録日2008-05-04
公開日2009-05-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
5O52
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BU of 5o52 by Molmil
Glycogen Phosphorylase b in complex with 33b
分子名称: (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1~{H}-imidazol-2-yl)oxane-3,4-diol, Glycogen phosphorylase, muscle form, ...
著者Kantsadi, A.L, Kyriakis, E, Stravodimos, G.A, Solovou, T.G.A, Chatzileontiadou, D.S, Skamnaki, V.T, Leonidas, D.D.
登録日2017-05-31
公開日2017-09-27
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nanomolar Inhibitors of Glycogen Phosphorylase Based on beta-d-Glucosaminyl Heterocycles: A Combined Synthetic, Enzyme Kinetic, and Protein Crystallography Study.
J. Med. Chem., 60, 2017
5O50
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BU of 5o50 by Molmil
Glycogen Phosphorylase b in complex with 33a
分子名称: (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-phenyl-1~{H}-imidazol-2-yl)oxane-3,4-diol, Glycogen phosphorylase, muscle form, ...
著者Kantsadi, A.L, Kyriakis, E, Stravodimos, G.A, Solovou, T.G.A, Chatzileontiadou, D.S, Skamnaki, V.T, Leonidas, D.D.
登録日2017-05-31
公開日2017-09-27
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nanomolar Inhibitors of Glycogen Phosphorylase Based on beta-d-Glucosaminyl Heterocycles: A Combined Synthetic, Enzyme Kinetic, and Protein Crystallography Study.
J. Med. Chem., 60, 2017
4PKS
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BU of 4pks by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 11
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Lethal factor, ...
著者Maize, K.M, De la Mora, T, Finzel, B.C.
登録日2014-05-15
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
2RI1
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BU of 2ri1 by Molmil
Crystal Structure of glucosamine 6-phosphate deaminase (NagB) with GlcN6P from S. mutans
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, Glucosamine-6-phosphate deaminase
著者Liu, C, Li, D, Su, X.D.
登録日2007-10-10
公開日2008-03-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Ring-opening mechanism revealed by crystal structures of NagB and its ES intermediate complex
J.Mol.Biol., 379, 2008
5O54
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BU of 5o54 by Molmil
Glycogen Phosphorylase b in complex with 29a
分子名称: (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4-diol, Glycogen phosphorylase, muscle form, ...
著者Kyriakis, E, Solovou, T.G.A, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S, Skamnaki, V.T, Leonidas, D.D.
登録日2017-05-31
公開日2017-09-27
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Nanomolar Inhibitors of Glycogen Phosphorylase Based on beta-d-Glucosaminyl Heterocycles: A Combined Synthetic, Enzyme Kinetic, and Protein Crystallography Study.
J. Med. Chem., 60, 2017
5I4F
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BU of 5i4f by Molmil
scFv 2D10 complexed with alpha 1,6 mannobiose
分子名称: alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose, scFv 2D10
著者Vashisht, S, Kumar, A, Kaur, K.J, Salunke, D.M.
登録日2016-02-12
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献Antibodies Can Exploit Molecular Crowding to Bind New Antigens at Noncanonical Paratope Positions
CHEMISTRYSELECT, 1, 2016
5OCE
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BU of 5oce by Molmil
THE MOLECULAR MECHANISM OF SUBSTRATE RECOGNITION AND CATALYSIS OF THE MEMBRANE ACYLTRANSFERASE PatA -- Complex of PatA with palmitate, mannose, and palmitoyl-6-mannose
分子名称: PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase, [(2~{R},3~{S},4~{S},5~{S},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hexadecanoate, ...
著者Albesa-Jove, D, Tersa, M, Guerin, M.E.
登録日2017-06-30
公開日2017-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献The Molecular Mechanism of Substrate Recognition and Catalysis of the Membrane Acyltransferase PatA from Mycobacteria.
ACS Chem. Biol., 13, 2018
4PKR
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BU of 4pkr by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 10
分子名称: CHLORIDE ION, GLYCEROL, Lethal factor, ...
著者Maize, K.M, De la Mora, T, Finzel, B.C.
登録日2014-05-15
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4GME
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BU of 4gme by Molmil
Crystal structure of mannonate dehydratase (target EFI-502209) from caulobacter crescentus cb15 complexed with magnesium and d-mannonate
分子名称: CARBONATE ION, CHLORIDE ION, D-MANNONIC ACID, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-08-15
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Mannonate Dehydratase from Caulobacter Crescentus Cb15
To be Published
5A1A
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BU of 5a1a by Molmil
2.2 A resolution cryo-EM structure of beta-galactosidase in complex with a cell-permeant inhibitor
分子名称: 2-phenylethyl 1-thio-beta-D-galactopyranoside, BETA-GALACTOSIDASE, MAGNESIUM ION, ...
著者Bartesaghi, A, Merk, A, Banerjee, S, Matthies, D, Wu, X, Milne, J, Subramaniam, S.
登録日2015-04-29
公開日2015-05-06
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献2.2 A Resolution Cryo-Em Structure of Beta-Galactosidase in Complex with a Cell-Permeant Inhibitor
Science, 348, 2015
3LWB
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BU of 3lwb by Molmil
Crystal Structure of apo D-alanine:D-alanine Ligase (Ddl) from Mycobacterium tuberculosis
分子名称: D-alanine--D-alanine ligase, NITRATE ION
著者Bruning, J.B, Murillo, A.C, Chacon, O, Barletta, R.G, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2010-02-23
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the Mycobacterium tuberculosis D-Alanine:D-Alanine Ligase, a Target of the Antituberculosis Drug D-Cycloserine.
Antimicrob.Agents Chemother., 55, 2011

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