1V2T
 
 | | Trypsin inhibitor in complex with bovine trypsin variant X(SSFI.Glu)bT.B4 | | Descriptor: | CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... | | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | | Deposit date: | 2003-10-17 | | Release date: | 2004-06-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
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1V2Q
 | | Trypsin inhibitor in complex with bovine trypsin variant X(SSWI)bT.B4 | | Descriptor: | CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... | | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | | Deposit date: | 2003-10-17 | | Release date: | 2004-06-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
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1VA5
 | | Antigen 85C with octylthioglucoside in active site | | Descriptor: | Antigen 85-C, octyl 1-thio-beta-D-glucopyranoside | | Authors: | Ronning, D.R, Vissa, V, Besra, G.S, Belisle, J.T, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2004-02-11 | | Release date: | 2004-07-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Mycobacterium tuberculosis Antigen 85A and 85C Structures Confirm Binding Orientation and Conserved Substrate Specificity
J.Biol.Chem., 279, 2004
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1Q5B
 | | lambda-shaped TRANS and CIS interactions of cadherins model based on fitting C-cadherin (1L3W) to 3D map of desmosomes obtained by electron tomography | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | He, W, Cowin, P, Stokes, D.L. | | Deposit date: | 2003-08-06 | | Release date: | 2003-10-07 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (30 Å) | | Cite: | Untangling Desmosomal Knots with Electron Tomography
Science, 302, 2003
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2FUQ
 | | Crystal Structure of Heparinase II | | Descriptor: | FORMIC ACID, PHOSPHATE ION, ZINC ION, ... | | Authors: | Shaya, D, Cygler, M. | | Deposit date: | 2006-01-27 | | Release date: | 2006-04-18 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal Structure of Heparinase II from Pedobacter heparinus and Its Complex with a Disaccharide Product.
J.Biol.Chem., 281, 2006
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4CPF
 | | Wild-type streptavidin in complex with love-hate ligand 3 (LH3) | | Descriptor: | STREPTAVIDIN, methyl 4-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H- thieno[3,4-d]imidazolidin-4-yl]pentanehydrazido}-3- [4-(methoxycarbonyl)phenyl]phenyl)benzoate | | Authors: | Fairhead, M, Shen, D, Chan, L.K.M, Lowe, E.D, Donohoe, T.J, Howarth, M. | | Deposit date: | 2014-02-06 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction.
Bioorg.Med.Chem., 22, 2014
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404D
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4IJ0
 | | Structures of DNA duplexes containing O6-carboxymethylguanine, a lesion associated with gastrointestinal cancer, reveal a mechanism for inducing transition mutation | | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*CP*GP*CP*G)-3'), STRONTIUM ION | | Authors: | Zhang, F, Suzuki, K, Tsunoda, M, Wilkinson, O, Millington, C.L, Williams, D.M, Morishita, E.C, Takenaka, A. | | Deposit date: | 2012-12-20 | | Release date: | 2013-05-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structures of DNA duplexes containing O6-carboxymethylguanine, a lesion associated with gastrointestinal cancer, reveal a mechanism for inducing pyrimidine transition mutations
Nucleic Acids Res., 41, 2013
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2PRI
 | | BINDING OF 2-DEOXY-GLUCOSE-6-PHOSPHATE TO GLYCOGEN PHOSPHORYLASE B | | Descriptor: | 2-deoxy-6-O-phosphono-alpha-D-glucopyranose, GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Oikonomakos, N.G, Zographos, S.E, Johnson, L.N, Papageorgiou, A.C, Acharya, K.R. | | Deposit date: | 1998-12-11 | | Release date: | 1998-12-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The binding of 2-deoxy-D-glucose 6-phosphate to glycogen phosphorylase b: kinetic and crystallographic studies.
J.Mol.Biol., 254, 1995
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4KC4
 | | Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate | | Descriptor: | 5'-deoxy-5'-[({6-[(alpha-D-galactopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine, Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase, MANGANESE (II) ION, ... | | Authors: | Cuesta-Seijo, J.A, Wang, S, Lafont, D, Vidal, S, Palcic, M.M. | | Deposit date: | 2013-04-24 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Design of glycosyltransferase inhibitors: pyridine as a pyrophosphate surrogate.
Chemistry, 19, 2013
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1I9Z
 | | CRYSTAL STRUCTURE OF INOSITOL POLYPHOSPHATE 5-PHOSPHATASE DOMAIN (IPP5C) OF SPSYNAPTOJANIN IN COMPLEX WITH INOSITOL (1,4)-BISPHOSPHATE AND CALCIUM ION | | Descriptor: | CALCIUM ION, D-MYO-INOSITOL-1,4-BISPHOSPHATE, PHOSPHATIDYLINOSITOL PHOSPHATE PHOSPHATASE | | Authors: | Tsujishita, Y, Guo, S, Stolz, L, York, J.D, Hurley, J.H. | | Deposit date: | 2001-03-21 | | Release date: | 2001-05-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Specificity determinants in phosphoinositide dephosphorylation: crystal structure of an archetypal inositol polyphosphate 5-phosphatase.
Cell(Cambridge,Mass.), 105, 2001
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4K0A
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279D
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3RRR
 | | Structure of the RSV F protein in the post-fusion conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0 | | Authors: | McLellan, J.S, Yongping, Y, Graham, B.S, Kwong, P.D. | | Deposit date: | 2011-04-30 | | Release date: | 2011-06-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.821 Å) | | Cite: | Structure of respiratory syncytial virus fusion glycoprotein in the postfusion conformation reveals preservation of neutralizing epitopes.
J.Virol., 85, 2011
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2F1B
 | | GOLGI ALPHA-MANNOSIDASE II COMPLEX WITH (2R,3R,4S,5R)-2-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-5-methylpyrrolidine-3,4-diol | | Descriptor: | (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-3,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kuntz, D.A, Rose, D.R. | | Deposit date: | 2005-11-14 | | Release date: | 2006-12-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Evaluation of docking programs for predicting binding of Golgi alpha-mannosidase II inhibitors: a comparison with crystallography.
Proteins, 69, 2007
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5S4T
 | | Tubulin-Z328695024-complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. | | Deposit date: | 2020-11-08 | | Release date: | 2021-06-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Comprehensive Analysis of Binding Sites in Tubulin.
Angew.Chem.Int.Ed.Engl., 60, 2021
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3GR4
 | | Activator-Bound Structure of Human Pyruvate Kinase M2 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-03-24 | | Release date: | 2009-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Activator-Bound Structures of Human Pyruvate Kinase M2
to be published
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1P49
 | | Structure of Human Placental Estrone/DHEA Sulfatase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PHOSPHATE ION, ... | | Authors: | Hernandez-Guzman, F.G, Higashiyama, T, Pangborn, W, Osawa, Y, Ghosh, D. | | Deposit date: | 2003-04-21 | | Release date: | 2003-08-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of Human Estrone Sulfatase Suggests Functional Roles of Membrane Association
J.Biol.Chem., 278, 2003
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3BKD
 | | High resolution Crystal structure of Transmembrane domain of M2 protein | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Transmembrane Domain of Matrix protein M2, ... | | Authors: | Stouffer, A.L, Acharya, R, Salom, D. | | Deposit date: | 2007-12-06 | | Release date: | 2008-01-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis for the function and inhibition of an influenza virus proton channel
Nature, 451, 2008
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2ACQ
 | | AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Harrison, D.H, Bohren, K.M, Gabbay, K.H, Petsko, G.A, Ringe, D. | | Deposit date: | 1994-04-15 | | Release date: | 1994-07-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | An anion binding site in human aldose reductase: mechanistic implications for the binding of citrate, cacodylate, and glucose 6-phosphate.
Biochemistry, 33, 1994
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1OUR
 | | LecB (PA-LII) in complex with mannose | | Descriptor: | CALCIUM ION, alpha-D-mannopyranose, hypothetical protein LecB | | Authors: | Loris, R, Tielker, D, Jaeger, K.-E, Wyns, L. | | Deposit date: | 2003-03-25 | | Release date: | 2003-09-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structural Basis of Carbohydrate Recognition by the Lectin LecB from Pseudomonas aeruginosa
J.MOL.BIOL., 331, 2003
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233D
 | | THE CRYSTAL STRUCTURE ANALYSIS OF D(CGCGAASSCGCG)2: A SYNTHETIC DNA DODECAMER DUPLEX CONTAINING FOUR 4'-THIO-2'-DEOXYTHYMIDINE NUCLEOTIDES | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*)-D(*(T49)P*(T49)P*)-D(*CP*GP*CP*G)-3') | | Authors: | Boggon, T.J, Hancox, E.L, McAuley-Hecht, K.E, Connolly, B.A, Hunter, W.N, Brown, T, Walker, R.T, Leonard, G.A. | | Deposit date: | 1995-10-16 | | Release date: | 1996-06-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structure analysis of d(CGCGAASSCGCG)2, a synthetic DNA dodecamer duplex containing four 4'-thio-2'-deoxythymidine nucleotides.
Nucleic Acids Res., 24, 1996
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1J7E
 | | A Structural Basis for the Unique Binding Features of the Human Vitamin D-binding Protein | | Descriptor: | 3-(2-{4-[2-(5-HYDROXY-2-METHYLENE-CYCLOHEXYLIDENE)-ETHYLIDENE]-7A-METHYL-OCTAHYDRO-INDEN-1-YL}-PROPYL)-PHENOL, OLEIC ACID, vitamin D binding protein | | Authors: | Verboven, C, Rabijns, A, De Maeyer, M, Van Baelen, H, Bouillon, R, De Ranter, C. | | Deposit date: | 2001-05-16 | | Release date: | 2002-02-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | A structural basis for the unique binding features of the human vitamin D-binding protein.
Nat.Struct.Biol., 9, 2002
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3ZL2
 | | A thiazolyl-mannoside bound to FimH, orthorhombic space group | | Descriptor: | N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannopyranosylamine, PROTEIN FIMH | | Authors: | Brument, S, Sivignon, A, Dumych, T.I, Moreau, N, Roos, G, Guerardel, Y, Chalopin, T, Deniaud, D, Bilyy, R.O, Darfeuille-Michaud, A, Bouckaert, J, Gouin, S.G. | | Deposit date: | 2013-01-27 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.251 Å) | | Cite: | Thiazolylaminomannosides as Potent Antiadhesives of Type 1 Piliated Escherichia Coli Isolated from Crohn'S Disease Patients.
J.Med.Chem., 56, 2013
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1F7D
 | | CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS | | Descriptor: | MAGNESIUM ION, POL POLYPROTEIN | | Authors: | Prasad, G.S, Stura, E.A, Elder, J.H, Stout, C.D. | | Deposit date: | 2000-06-26 | | Release date: | 2000-09-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structures of feline immunodeficiency virus dUTP pyrophosphatase and its nucleotide complexes in three crystal forms.
Acta Crystallogr.,Sect.D, 56, 2000
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