6Q6L
 
 | | Crystal structure of recombinant human beta-glucocerebrosidase in complex with adamantyl-cyclophellitol inhibitor (ME656) | | Descriptor: | (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rowland, R.J, Davies, G.J. | | Deposit date: | 2018-12-11 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Functionalized Cyclophellitols Are Selective Glucocerebrosidase Inhibitors and Induce a Bona Fide Neuropathic Gaucher Model in Zebrafish.
J.Am.Chem.Soc., 141, 2019
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6Q6N
 | | Crystal structure of recombinant human beta-glucocerebrosidase in complex with biphenyl-cyclophellitol inhibitor (ME655) | | Descriptor: | (1~{S},3~{S},4~{R},6~{R})-2,3,4,6-tetrakis(oxidanyl)-5-[[4-[3-(4-phenylphenoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexan-1-olate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rowland, R.J, Davies, G.J. | | Deposit date: | 2018-12-11 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Functionalized Cyclophellitols Are Selective Glucocerebrosidase Inhibitors and Induce a Bona Fide Neuropathic Gaucher Model in Zebrafish.
J.Am.Chem.Soc., 141, 2019
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6Q6K
 | | Crystal structure of recombinant human beta-glucocerebrosidase in complex with cyclophellitol activity based probe with Cy5 tag (ME569) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[3,3-dimethyl-2-[(1~{E},3~{E},5~{E})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-2,3,4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide, ... | | Authors: | Rowland, R.J, Davies, G.J. | | Deposit date: | 2018-12-11 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Functionalized Cyclophellitols Are Selective Glucocerebrosidase Inhibitors and Induce a Bona Fide Neuropathic Gaucher Model in Zebrafish.
J.Am.Chem.Soc., 141, 2019
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1IEK
 | | SOLUTION STRUCTURE OF THE DNA DUPLEX D(CCACCGGAAC).(GTTCCGGTGG) WITH A CHIRAL ALKYL-PHOSPHONATE MOIETY (DIAESTEREOISOMER S) | | Descriptor: | 5'-D(*CP*CP*AP*CP*CP*(OCT)GP*GP*AP*AP*C)-3', 5'-D(*GP*TP*TP*CP*CP*GP*GP*TP*GP*G)-3', N-OCTANE | | Authors: | Soliva, R, Monaco, V, Gomez-Pinto, I, Meeuwenoord, N.J, van der Marel, G.A, van Boom, J.H, Gonzalez, C, Orozco, M. | | Deposit date: | 2001-04-10 | | Release date: | 2001-07-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a DNA duplex with a chiral alkyl phosphonate moiety.
Nucleic Acids Res., 29, 2001
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1IEY
 | | SOLUTION STRUCTURE OF THE DNA DUPLEX D(CCACCGGAAC).(GTTCCGGTGG) WITH A CHIRAL ALKYL-PHOSPHONATE MOIETY (DIAESTEREOISOMER R) | | Descriptor: | 5'-D(*GP*TP*TP*CP*CP*GP*GP*TP*GP*G)-3', 5'-D(P*CP*CP*AP*CP*CP*(OCT)GP*GP*AP*AP*C)-3', N-OCTANE | | Authors: | Soliva, R, Monaco, V, Gomez-Pinto, I, Meeuwenoord, N.J, van der Marel, G.A, van Boom, J.H, Gonzalez, C, Orozco, M. | | Deposit date: | 2001-04-11 | | Release date: | 2001-07-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a DNA duplex with a chiral alkyl phosphonate moiety.
Nucleic Acids Res., 29, 2001
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1LQC
 | | LAC REPRESSOR HEADPIECE (RESIDUES 1-56), NMR, 32 STRUCTURES | | Descriptor: | LAC REPRESSOR | | Authors: | Slijper, M, Bonvin, A.M.J.J, Boelens, R, Kaptein, R. | | Deposit date: | 1996-08-13 | | Release date: | 1997-02-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Refined structure of lac repressor headpiece (1-56) determined by relaxation matrix calculations from 2D and 3D NOE data: change of tertiary structure upon binding to the lac operator.
J.Mol.Biol., 259, 1996
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482D
 | | RELEASE OF THE CYANO MOIETY IN THE CRYSTAL STRUCTURE OF N-CYANOMETHYL-N-(2-METHOXYETHYL)-DAUNOMYCIN COMPLEXED WITH D(CGATCG) | | Descriptor: | 5'-D(*CP*GP*AP*TP*CP*G)-3', N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-DAUNOMYCIN | | Authors: | Saminadin, P, Dautant, A, Mondon, M, Langlois D'Estaintot, B, Courseille, C, Precigoux, G. | | Deposit date: | 1999-07-27 | | Release date: | 1999-09-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Release of the cyano moiety in the crystal structure of N-cyanomethyl-N-(2-methoxyethyl)-daunomycin complexed with d(CGATCG).
Eur.J.Biochem., 267, 2000
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1NAB
 | | The crystal structure of the complex between a disaccharide anthracycline and the DNA hexamer d(CGATCG) reveals two different binding sites involving two DNA duplexes | | Descriptor: | 5'-D(*CP*GP*AP*TP*CP*G)-3', 7-[5-(4-AMINO-5-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]-6,9,11-TRIHYDROXY-9-(2-HYDROXY-ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE-5,12-DIONE | | Authors: | Temperini, C, Messori, L, Orioli, P, Di Bugno, C, Animati, F, Ughetto, G. | | Deposit date: | 2002-11-27 | | Release date: | 2003-02-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The crystal structure of the complex between a disaccharide anthracycline and the DNA hexamer d(CGATCG) reveals two different binding sites involving two DNA duplexes
Nucleic Acids Res., 31, 2003
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202D
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263D
 | | ISOHELICITY AND PHASING IN DRUG-DNA SEQUENCE RECOGNITION: CRYSTAL STRUCTURE OF A TRIS(BENZIMIDAZOLE)-OLIGONUCLEOTIDE COMPLEX | | Descriptor: | 2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3') | | Authors: | Clark, G.R, Gray, E.J, Neidle, S, Li, Y.-H, Leupin, W. | | Deposit date: | 1996-09-27 | | Release date: | 1996-10-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Isohelicity and phasing in drug--DNA sequence recognition: crystal structure of a tris(benzimidazole)--oligonucleotide complex.
Biochemistry, 35, 1996
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1VS2
 | | Interactions of quinoxaline antibiotic and DNA: the molecular structure of a TRIOSTIN A-D(GCGTACGC) complex | | Descriptor: | 2-CARBOXYQUINOXALINE, 5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3', TRIOSTIN A | | Authors: | Wang, A.H.-J, Ughetto, G, Quigley, G.J, Rich, A. | | Deposit date: | 1986-10-21 | | Release date: | 2006-06-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Interactions of Quinoxaline Antibiotic and DNA: The Molecular Structure of a Triostin A-D(Gcgtacgc) Complex.
J.Biomol.Struct.Dyn., 4, 1986
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2DES
 | | INTERACTIONS BETWEEN MORPHOLINYL ANTHRACYCLINES AND DNA: THE CRYSTAL STRUCTURE OF A MORPHOLINO DOXORUBICIN BOUND TO D(CGTACG) | | Descriptor: | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-DOXORUBICIN, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'), MAGNESIUM ION, ... | | Authors: | Cirilli, M, Bachechi, F, Ughetto, G, Colonna, F.P, Capobianco, M.L. | | Deposit date: | 1993-03-16 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Interactions between morpholinyl anthracyclines and DNA. The crystal structure of a morpholino doxorubicin bound to d(CGTACG).
J.Mol.Biol., 230, 1993
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1D22
 | | BINDING OF THE ANTITUMOR DRUG NOGALAMYCIN AND ITS DERIVATIVES TO DNA: STRUCTURAL COMPARISON | | Descriptor: | DNA (5'-D(*(5CM)P*GP*TP*(AS)P*(5CM)P*G)-3'), U-58872, HYDROXY DERIVATIVE OF NOGALAMYCIN | | Authors: | Gao, Y.-G, Liaw, Y.-C, Robinson, H, Wang, A.H.-J. | | Deposit date: | 1990-08-08 | | Release date: | 1991-07-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding of the antitumor drug nogalamycin and its derivatives to DNA: structural comparison.
Biochemistry, 29, 1990
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1D21
 | | BINDING OF THE ANTITUMOR DRUG NOGALAMYCIN AND ITS DERIVATIVES TO DNA: STRUCTURAL COMPARISON | | Descriptor: | DNA (5'-D(*(5CM)P*GP*TP*(AS)P*(5CM)P*G)-3'), NOGALAMYCIN | | Authors: | Gao, Y.-G, Liaw, Y.-C, Robinson, H, Wang, A.H.-J. | | Deposit date: | 1990-08-08 | | Release date: | 1991-07-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Binding of the antitumor drug nogalamycin and its derivatives to DNA: structural comparison.
Biochemistry, 29, 1990
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1D17
 | | DNA-NOGALAMYCIN INTERACTIONS | | Descriptor: | DNA (5'-D(*(5CM)P*GP*TP*AP*(5CM)P*G)-3'), NOGALAMYCIN | | Authors: | Egli, M, Williams, L.D, Frederick, C.A, Rich, A. | | Deposit date: | 1990-08-08 | | Release date: | 1991-07-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | DNA-nogalamycin interactions.
Biochemistry, 30, 1991
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1DCG
 | | THE MOLECULAR STRUCTURE OF THE LEFT-HANDED Z-DNA DOUBLE HELIX AT 1.0 ANGSTROM ATOMIC RESOLUTION. GEOMETRY, CONFORMATION, AND IONIC INTERACTIONS OF D(CGCGCG) | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Gessner, R.V, Frederick, C.A, Quigley, G.J, Rich, A, Wang, A.H.-J. | | Deposit date: | 1988-08-29 | | Release date: | 1989-01-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | The molecular structure of the left-handed Z-DNA double helix at 1.0-A atomic resolution. Geometry, conformation, and ionic interactions of d(CGCGCG).
J.Biol.Chem., 264, 1989
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1CJG
 | | NMR STRUCTURE OF LAC REPRESSOR HP62-DNA COMPLEX | | Descriptor: | DNA (5'-D(*GP*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*TP*C)-3'), PROTEIN (LAC REPRESSOR) | | Authors: | Spronk, C.A.E.M, Bonvin, A.M.J.J, Radha, P.K, Melacini, G, Boelens, R, Kaptein, R. | | Deposit date: | 1999-04-14 | | Release date: | 2000-01-01 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | The solution structure of Lac repressor headpiece 62 complexed to a symmetrical lac operator.
Structure Fold.Des., 7, 1999
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1D38
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1D37
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