1MCF
 
 | | PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS | | Descriptor: | Immunoglobulin lambda-1 light chain, PEPTIDE N-ACETYL-L-GLN-D-PHE-L-HIS-D-PRO-B-ALA-B-ALA-OH | | Authors: | Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W. | | Deposit date: | 1993-02-25 | | Release date: | 1994-01-31 | | Last modified: | 2022-04-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Principles and pitfalls in designing site-directed peptide ligands.
Proteins, 16, 1993
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4R4A
 | | Racemic crystal structure of a cobalt-bound B-DNA duplex | | Descriptor: | 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', COBALT (II) ION, SPERMINE | | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | | Deposit date: | 2014-08-19 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
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3LZM
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1O7A
 | | Human beta-Hexosaminidase B | | Descriptor: | 1,2-ETHANEDIOL, 2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Maier, T, Strater, N, Schuette, C, Klingenstein, R, Sandhoff, K, Saenger, W. | | Deposit date: | 2002-10-29 | | Release date: | 2003-10-23 | | Last modified: | 2020-11-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The X-Ray Crystal Structure of Human Beta-Hexosaminidase B Provides New Insights Into Sandhoff Disease
J.Mol.Biol., 328, 2003
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153D
 | | CRYSTAL STRUCTURE OF A MISPAIRED DODECAMER, D(CGAGAATTC(O6ME)GCG)2, CONTAINING A CARCINOGENIC O6-METHYLGUANINE | | Descriptor: | DNA (5'-D(*CP*GP*AP*GP*AP*AP*TP*TP*CP*(6OG)P*CP*G)-3') | | Authors: | Ginell, S.L, Vojtechovsky, J, Gaffney, B, Jones, R, Berman, H.M. | | Deposit date: | 1993-12-16 | | Release date: | 1994-01-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of a mispaired dodecamer, d(CGAGAATTC(O6Me)GCG)2, containing a carcinogenic O6-methylguanine
Biochemistry, 33, 1994
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1AGH
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2AKQ
 | | The structure of bovine B-lactoglobulin A in crystals grown at very low ionic strength | | Descriptor: | Beta-lactoglobulin variant A | | Authors: | Adams, J.J, Anderson, B.F, Norris, G.E, Creamer, L.K, Jameson, G.B. | | Deposit date: | 2005-08-03 | | Release date: | 2005-08-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of bovine beta-lactoglobulin (variant A) at very low ionic strength
J.Struct.Biol., 154, 2006
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1LJ0
 | | Structure of quintuple mutant of the rat outer mitocondrial cytochrome b5. | | Descriptor: | Cytochrome B5 outer mitochondrial membrane isoform, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Cowley, A.B, Altuve, A, Kuchment, O, Terzyan, S, Zhang, X.C, Rivera, M, Benson, D. | | Deposit date: | 2002-04-18 | | Release date: | 2002-11-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Toward engineering the stability and hemin binding properties
of microsomal cytochromes b5 into rat outer mitochondrial cytochrome b5:
Examining the influence of residues 25 and 71.
Biochemistry, 41, 2002
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1AXO
 | | STRUCTURAL ALIGNMENT OF THE (+)-TRANS-ANTI-[BP]DG ADDUCT POSITIONED OPPOSITE DC AT A DNA TEMPLATE-PRIMER JUNCTION, NMR, 6 STRUCTURES | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA DUPLEX D(AAC-[BP]G-CTACCATCC)D(GGATGGTAGC) | | Authors: | Feng, B, Gorin, A.A, Hingerty, B.E, Geacintov, N.E, Broyde, S, Patel, D.J. | | Deposit date: | 1997-10-16 | | Release date: | 1998-07-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural alignment of the (+)-trans-anti-benzo[a]pyrene-dG adduct positioned opposite dC at a DNA template-primer junction.
Biochemistry, 36, 1997
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2F74
 | | Murine MHC class I H-2Db in complex with human b2-microglobulin and LCMV-derived immunodminant peptide gp33 | | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | | Authors: | Achour, A, Michaelsson, J, Harris, R.A, Ljunggren, H.G, Karre, K, Schneider, G, Sandalova, T. | | Deposit date: | 2005-11-30 | | Release date: | 2006-02-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis of the Differential Stability and Receptor Specificity of H-2D(b) in Complex with Murine versus Human beta(2)-Microglobulin.
J.Mol.Biol., 356, 2006
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1UXX
 | | CBM6ct from Clostridium thermocellum in complex with xylopentaose | | Descriptor: | CALCIUM ION, XYLANASE U, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Henrissat, D.B.B, Gilbert, H.J. | | Deposit date: | 2004-03-01 | | Release date: | 2004-03-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities
J.Biol.Chem., 279, 2004
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1N1O
 | | Crystal Structure of a B-form DNA Duplex Containing (L)-alpha-threofuranosyl (3'-2') Nucleosides: A Four-Carbon Sugar is Easily Accommodated into the Backbone of DNA | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*(TFT)P*TP*CP*GP*CP*G)-3', MAGNESIUM ION | | Authors: | Wilds, C.J, Wawrzak, Z, Krishnamurthy, R, Eschenmoser, A, Egli, M. | | Deposit date: | 2002-10-18 | | Release date: | 2002-11-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal Structure of a B-Form DNA Duplex Containing (L)-alpha-Threofuranosyl (3'-->2') Nucleosides: A
Four-Carbon Sugar Is Easily Accommodated into the Backbone of DNA
J.Am.Chem.Soc., 124, 2002
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3T07
 | | Crystal structure of S. aureus Pyruvate Kinase in complex with a naturally occurring bis-indole alkaloid | | Descriptor: | (3S,5R)-3,5-bis(6-bromo-1H-indol-3-yl)piperazin-2-one, PHOSPHATE ION, Pyruvate kinase | | Authors: | Worrall, L.J, Vuckovic, M, Strynadka, N.C.J. | | Deposit date: | 2011-07-19 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Methicillin-resistant Staphylococcus aureus (MRSA) pyruvate kinase as a target for bis-indole alkaloids with antibacterial activities.
J.Biol.Chem., 286, 2011
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3T46
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3T47
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158D
 | | CRYSTALLOGRAPHIC ANALYSIS OF C-C-A-A-G-C-T-T-G-G AND ITS IMPLICATIONS FOR BENDING IN B-DNA | | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*GP*CP*TP*TP*GP*G)-3') | | Authors: | Grzeskowiak, K, Goodsell, D.S, Kaczor-Grzeskowiak, M, Cascio, D, Dickerson, R.E. | | Deposit date: | 1994-02-03 | | Release date: | 1994-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic analysis of C-C-A-A-G-C-T-T-G-G and its implications for bending in B-DNA.
Biochemistry, 32, 1993
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1RMX
 | | A SHORT LEXITROPSIN THAT RECOGNIZES THE DNA MINOR GROOVE AT 5'-ACTAGT-3': UNDERSTANDING THE ROLE OF ISOPROPYL-THIAZOLE | | Descriptor: | 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3', N-[3-(DIMETHYLAMINO)PROPYL]-2-({[4-({[4-(FORMYLAMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-5-ISOPROPYL-1,3-THIAZOLE-4-CARBOXAMIDE | | Authors: | Anthony, N.G, Johnston, B.F, Khalaf, A.I, Mackay, S.P, Parkinson, J.A, Suckling, C.J, Waigh, R.D. | | Deposit date: | 2003-11-28 | | Release date: | 2004-08-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Short Lexitropsin that Recognizes the DNA Minor Groove at 5'-ACTAGT-3': Understanding the Role of Isopropyl-thiazole.
J.Am.Chem.Soc., 126, 2004
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1AC9
 | | SOLUTION STRUCTURE OF A DNA DECAMER CONTAINING THE ANTIVIRAL DRUG GANCICLOVIR: COMBINED USE OF NMR, RESTRAINED MOLECULAR DYNAMICS, AND FULL RELAXATION REFINEMENT, 6 STRUCTURES | | Descriptor: | DNA | | Authors: | Foti, M, Marshalko, S, Schurter, E, Kumar, S, Beardsley, G.P, Schweitzer, B.I. | | Deposit date: | 1997-02-17 | | Release date: | 1997-07-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a DNA decamer containing the antiviral drug ganciclovir: combined use of NMR, restrained molecular dynamics, and full relaxation matrix refinement.
Biochemistry, 36, 1997
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1Y1A
 | | CRYSTAL STRUCTURE OF CALCIUM AND INTEGRIN BINDING PROTEIN | | Descriptor: | CALCIUM ION, Calcium and integrin binding 1 (calmyrin), GLUTATHIONE | | Authors: | Blamey, C.J, Ceccarelli, C, Naik, U.P, Bahnson, B.J. | | Deposit date: | 2004-11-17 | | Release date: | 2005-05-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The crystal structure of calcium- and integrin-binding protein 1: Insights into redox regulated functions
Protein Sci., 14, 2005
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4IEF
 | | Complex of Porphyromonas gingivalis RgpB pro- and mature domains | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BARIUM ION, CALCIUM ION, ... | | Authors: | de Diego, I, Veillard, F.T, Guevara, T, Potempa, B, Sztukowska, M, Potempa, J, Gomis-Ruth, F.X. | | Deposit date: | 2012-12-13 | | Release date: | 2013-04-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Porphyromonas gingivalis Virulence Factor Gingipain RgpB Shows a Unique Zymogenic Mechanism for Cysteine Peptidases.
J.Biol.Chem., 288, 2013
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2PMQ
 | | Crystal structure of a mandelate racemase/muconate lactonizing enzyme from Roseovarius sp. HTCC2601 | | Descriptor: | MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme | | Authors: | Bonanno, J.B, Rutter, M, Bain, K.T, Lau, C, Sridhar, V, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-04-23 | | Release date: | 2007-05-08 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery of new enzymes and metabolic pathways by using structure and genome context.
Nature, 502, 2013
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2CND
 | | STRUCTURAL STUDIES ON CORN NITRATE REDUCTASE: REFINED STRUCTURE OF THE CYTOCHROME B REDUCTASE FRAGMENT AT 2.5 ANGSTROMS, ITS ADP COMPLEX AND AN ACTIVE SITE MUTANT AND MODELING OF THE CYTOCHROME B DOMAIN | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH-DEPENDENT NITRATE REDUCTASE | | Authors: | Lu, G, Lindqvist, Y, Schneider, G. | | Deposit date: | 1995-02-01 | | Release date: | 1995-04-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural studies on corn nitrate reductase: refined structure of the cytochrome b reductase fragment at 2.5 A, its ADP complex and an active-site mutant and modeling of the cytochrome b domain.
J.Mol.Biol., 248, 1995
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3ROV
 | | Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus | | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | | Authors: | Weiss, M.A, Wan, Z.L, Dodson, E.J, Liu, M, Xu, B, Hua, Q.X, Turkenburg, M, Whittingham, J, Nakagawa, S.H, Huang, K, Hu, S.Q, Jia, W.H, Wang, S.H, Brange, J, Whittaker, J, Arvan, P, Katsoyannis, P.G, Dodson, G.G. | | Deposit date: | 2011-04-26 | | Release date: | 2012-05-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus
To be Published
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5Y4E
 | | Crystal Structure of AnkB Ankyrin Repeats R8-14 in complex with autoinhibition segment AI-b | | Descriptor: | Ankyrin-2,Ankyrin-2, GLYCEROL, SULFATE ION | | Authors: | Chen, K, Li, J, Wang, C, Wei, Z, Zhang, M. | | Deposit date: | 2017-08-03 | | Release date: | 2017-09-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.341 Å) | | Cite: | Autoinhibition of ankyrin-B/G membrane target bindings by intrinsically disordered segments from the tail regions.
Elife, 6, 2017
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1I2Q
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