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2OW6
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BU of 2ow6 by Molmil
Golgi alpha-mannosidase II complex with (1r,5s,6s,7r,8s)-1-thioniabicyclo[4.3.0]nonan-5,7,8-triol chloride
Descriptor: (1R,5S,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN-5,7,8-TRIOL, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A.
Deposit date:2007-02-15
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Binding of sulfonium-ion analogues of di-epi-swainsonine and 8-epi-lentiginosine to Drosophila Golgi alpha-mannosidase II: The role of water in inhibitor binding.
Proteins, 71, 2008
2DND
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BU of 2dnd by Molmil
A BIFURCATED HYDROGEN-BONDED CONFORMATION IN THE D(A.T) BASE PAIRS OF THE DNA DODECAMER D(CGCAAATTTGCG) AND ITS COMPLEX WITH DISTAMYCIN
Descriptor: DISTAMYCIN A, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')
Authors:Coll, M, Frederick, C.A, Wang, A.H.-J, Rich, A.
Deposit date:1988-08-29
Release date:1989-01-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A bifurcated hydrogen-bonded conformation in the d(A.T) base pairs of the DNA dodecamer d(CGCAAATTTGCG) and its complex with distamycin.
Proc.Natl.Acad.Sci.USA, 84, 1987
2OW7
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BU of 2ow7 by Molmil
Golgi alpha-mannosidase II complex with (1R,6S,7R,8S)-1-thioniabicyclo[4.3.0]nonan-7,8-diol chloride
Descriptor: (1R,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN-7,8-DIOL, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A.
Deposit date:2007-02-15
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Binding of sulfonium-ion analogues of di-epi-swainsonine and 8-epi-lentiginosine to Drosophila Golgi alpha-mannosidase II: The role of water in inhibitor binding.
Proteins, 71, 2008
1CAU
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BU of 1cau by Molmil
DETERMINATION OF THREE CRYSTAL STRUCTURES OF CANAVALIN BY MOLECULAR REPLACEMENT
Descriptor: CANAVALIN
Authors:Ko, T-P, Ng, J.D, Day, J, Greenwood, A, McPherson, A.
Deposit date:1993-07-08
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Determination of three crystal structures of canavalin by molecular replacement.
Acta Crystallogr.,Sect.D, 49, 1993
1CAV
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BU of 1cav by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF CANAVALIN FROM JACK BEAN (CANAVALIA ENSIFORMIS)
Descriptor: CANAVALIN
Authors:Ko, T-P, Ng, J.D, McPherson, A.
Deposit date:1993-05-27
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Determination of three crystal structures of canavalin by molecular replacement.
Acta Crystallogr.,Sect.D, 49, 1993
1C9Z
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BU of 1c9z by Molmil
D232-CGTACG
Descriptor: 1,3-DI[[[10-METHOXY-7H-PYRIDO[4,3-C]CARBAZOL-2-IUMYL]-ETHYL]-PIPERIDIN-4-YL]-PROPANE, 5'-D(*CP*GP*TP*AP*CP*G)-3'
Authors:Williams, L.D.
Deposit date:1999-08-03
Release date:2000-04-02
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Effects of cationic charge on three-dimensional structures of intercalative complexes: structure of a bis-intercalated DNA complex solved by MAD phasing.
Curr.Med.Chem., 7, 2000
2LMS
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BU of 2lms by Molmil
A single GalNAc residue on Threonine-106 modifies the dynamics and the structure of Interferon alpha-2a around the glycosylation site
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, Interferon alpha-2
Authors:Ghasriani, H, Belcourt, P.J.F, Sauve, S, Hodgson, D.J, Gingras, G, Brochu, D, Gilbert, M, Aubin, Y.
Deposit date:2011-12-12
Release date:2012-12-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A single N-acetylgalactosamine residue at threonine 106 modifies the dynamics and structure of interferon alpha2a around the glycosylation site.
J.Biol.Chem., 288, 2013
2LI2
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BU of 2li2 by Molmil
Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
Authors:Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
Deposit date:2011-08-18
Release date:2012-04-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
1QKD
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BU of 1qkd by Molmil
ERABUTOXIN
Descriptor: ERABUTOXIN A
Authors:Nastopoulos, V, Kanellopoulos, P.N, Tsernoglou, D.
Deposit date:1998-01-16
Release date:1999-02-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structure of dimeric and monomeric erabutoxin a refined at 1.5 A resolution.
Acta Crystallogr.,Sect.D, 54, 1998
1QSX
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BU of 1qsx by Molmil
SOLUTION NMR STRUCTURE OF THE 2:1 HOECHST 33258-D(CTTTTGCAAAAG)2 COMPLEX
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 5'-D(CP*TP*TP*TP*TP*GP*CP*AP*AP*AP*AP*G)-3', SODIUM ION
Authors:Gavathiotis, E, Sharman, G.J, Searle, M.S.
Deposit date:1999-06-24
Release date:2000-02-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Sequence-dependent variation in DNA minor groove width dictates orientational preference of Hoechst 33258 in A-tract recognition: solution NMR structure of the 2:1 complex with d(CTTTTGCAAAAG)(2).
Nucleic Acids Res., 28, 2000
1QCH
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BU of 1qch by Molmil
STRUCTURE, DYNAMICS AND HYDRATION OF THE NOGALAMYCIN-D(ATGCAT)2 COMPLEX DETERMINED BY NMR AND MOLECULAR DYNAMICS SIMULATIONS IN SOLUTION
Descriptor: 5'-D(*AP*TP*GP*CP*AP*T)-3', NOGALAMYCIN, SODIUM ION
Authors:Williams, H.E.L, Searle, M.S.
Deposit date:1999-05-05
Release date:1999-08-02
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Structure, dynamics and hydration of the nogalamycin-d(ATGCAT)2Complex determined by NMR and molecular dynamics simulations in solution.
J.Mol.Biol., 290, 1999
2BWB
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BU of 2bwb by Molmil
Crystal structure of the UBA domain of Dsk2 from S. cerevisiae
Descriptor: UBIQUITIN-LIKE PROTEIN DSK2
Authors:Lowe, E.D, Hasan, N, Trempe, J.-F, Fonso, L, Noble, M.E.M, Endicott, J.A, Johnson, L.N, Brown, N.R.
Deposit date:2005-07-13
Release date:2006-01-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of the Dsk2 Ubl and Uba Domains and Their Complex.
Acta Crystallogr.,Sect.D, 62, 2006
3OIA
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BU of 3oia by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8GluEtg-Bio
Descriptor: Camphor 5-monooxygenase, N-{15-oxo-19-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-N'-(8-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide, POTASSIUM ION, ...
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-08-18
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8GluEtg-Bio
To be Published
2G1Z
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BU of 2g1z by Molmil
X-ray structure of the oligonucleotide sequence d(AAATTT)
Descriptor: 5'-D(*AP*AP*AP*TP*TP*T)-3'
Authors:Valls, N, Santaolalla, A, Campos, J.L, Subirana, J.A.
Deposit date:2006-02-15
Release date:2006-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Packing features of the all-AT oligonucleotide d(AAATTT).
J.Biomol.Struct.Dyn., 24, 2007
1QC1
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BU of 1qc1 by Molmil
CRYSTAL STRUCTURE OF THE SELF-FITTED B-DNA DECAMER D(CCGCCGGCGG)
Descriptor: 5'-D(*CP*CP*GP*CP*CP*GP*GP*CP*GP*G)-3', MAGNESIUM ION
Authors:Timsit, Y, Moras, D.
Deposit date:1999-05-14
Release date:1999-05-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:DNA self-fitting: the double helix directs the geometry of its supramolecular assembly
EMBO J., 13, 1994
1DN8
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BU of 1dn8 by Molmil
STRUCTURE OF A Z-DNA WITH TWO DIFFERENT BACKBONE CHAIN CONFORMATIONS. STABILIZATION OF THE DECADEOXYOLIGONUCLEOTIDE D(CGTACGTACG) BY (CO(NH3)6)3+ BINDING TO THE GUANINE
Descriptor: COBALT HEXAMMINE(III), DNA (5'-D(*P*CP*GP*TP*AP*CP*GP*TP*AP*CP*G)-3')
Authors:Brennan, R.G, Westhof, E, Sundaralingam, M.
Deposit date:1987-05-12
Release date:1988-04-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a Z-DNA with two different backbone chain conformations. Stabilization of the decadeoxyoligonucleotide d(CGTACGTACG) by [Co(NH3)6]3+ binding to the guanine.
J.Biomol.Struct.Dyn., 3, 1986
1DNH
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BU of 1dnh by Molmil
THE MOLECULAR STRUCTURE OF THE COMPLEX OF HOECHST 33258 AND THE DNA DODECAMER D(CGCGAATTCGCG)
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Teng, M.-K, Usman, N, Frederick, C.A, Wang, A.H.-J.
Deposit date:1988-02-16
Release date:1989-01-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The molecular structure of the complex of Hoechst 33258 and the DNA dodecamer d(CGCGAATTCGCG).
Nucleic Acids Res., 16, 1988
3PJ2
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BU of 3pj2 by Molmil
Crystal structure of BTK kinase domain complexed with 2-[4-(2-Diethylamino-ethoxy)-phenylamino]-6-(4-fluoro-phenoxy)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
Descriptor: 2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-6-(4-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Tyrosine-protein kinase BTK
Authors:Kuglstatter, A, Wong, A.
Deposit date:2010-11-08
Release date:2011-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures.
Protein Sci., 20, 2011
1Q2X
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BU of 1q2x by Molmil
Crystal Structure of the E243D Mutant of Aspartate Semialdehyde Dehydrogenase from Haemophilus influenzae bound with substrate aspartate semialdehyde
Descriptor: Aspartate-semialdehyde dehydrogenase
Authors:Blanco, J, Moore, R.A, Faehnle, C.R, Coe, D.M, Viola, R.E.
Deposit date:2003-07-26
Release date:2004-07-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The role of substrate-binding groups in the mechanism of aspartate-beta-semialdehyde dehydrogenase.
Acta Crystallogr.,Sect.D, 60, 2004
1PL1
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BU of 1pl1 by Molmil
Crystal structure of human glutathione transferase (GST) A1-1 in complex with a decarboxy-glutathione
Descriptor: CHLORIDE ION, Glutathione S-transferase A1, N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-L-CYSTEINYLGLYCINE
Authors:Grahn, E, Jakobsson, E, Gustafsson, A, Grehn, L, Olin, B, Wahlberg, M, Madsen, D, Kleywegt, G.J, Mannervik, B.
Deposit date:2003-06-06
Release date:2004-06-22
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:New crystal structures of human glutathione transferase A1-1 shed light on glutathione binding and the conformation of the C-terminal helix.
Acta Crystallogr.,Sect.D, 62, 2006
1PXD
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BU of 1pxd by Molmil
Crystal structure of the complex of jacalin with meso-tetrasulphonatophenylporphyrin.
Descriptor: 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-21H,23H-PORPHINE, Agglutinin alpha chain, Agglutinin beta-3 chain
Authors:Goel, M, Anuradha, P, Kaur, K.J, Maiya, B.G, Swamy, M.J, Salunke, D.M.
Deposit date:2003-07-03
Release date:2004-02-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Porphyrin binding to jacalin is facilitated by the inherent plasticity of the carbohydrate-binding site: novel mode of lectin-ligand interaction.
Acta Crystallogr.,Sect.D, 60, 2004
2HTA
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BU of 2hta by Molmil
Crystal Structure of a putative mutarotase (YeaD) from Salmonella typhimurium in orthorhombic form
Descriptor: GLYCEROL, Putative enzyme related to aldose 1-epimerase, SULFATE ION
Authors:Chittori, S, Simanshu, D.K, Savithri, H.S, Murthy, M.R.N.
Deposit date:2006-07-25
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the putative mutarotase YeaD from Salmonella typhimurium: structural comparison with galactose mutarotases.
Acta Crystallogr.,Sect.D, 63, 2007
2XBD
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BU of 2xbd by Molmil
INTERNAL XYLAN BINDING DOMAIN FROM CELLULOMONAS FIMI XYLANASE D, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: XYLANASE D
Authors:Simpson, P.J, Bolam, D.N, Cooper, A, Ciruela, A, Hazlewood, G.P, Gilbert, H.J, Williamson, M.P.
Deposit date:1998-10-27
Release date:1999-07-21
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:A family IIb xylan-binding domain has a similar secondary structure to a homologous family IIa cellulose-binding domain but different ligand specificity.
Structure Fold.Des., 7, 1999
2JFG
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Crystal structure of MurD ligase in complex with UMA and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE, ...
Authors:Kotnik, M, Humljan, J, Contreras-Martel, C, Oblak, M, Kristan, K, Herve, M, Blanot, D, Urleb, U, Gobec, S, Dessen, A, Solmajer, T.
Deposit date:2007-02-01
Release date:2007-05-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural and functional characterization of enantiomeric glutamic acid derivatives as potential transition state analogue inhibitors of MurD ligase.
J. Mol. Biol., 370, 2007
2JFH
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Crystal structure of MurD ligase in complex with L-Glu containing sulfonamide inhibitor
Descriptor: N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-L-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYL-ALANINE-D-GLUTAMATE LIGASE
Authors:Kotnik, M, Humljan, J, Contreras-Martel, C, Oblak, M, Kristan, K, Herve, M, Blanot, D, Urleb, U, Gobec, S, Dessen, A, Solmajer, T.
Deposit date:2007-02-01
Release date:2007-05-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural and Functional Characterization of Enantiomeric Glutamic Acid Derivatives as Potential Transition State Analogue Inhibitors of Murd Ligase.
J.Mol.Biol., 370, 2007

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