1N9C
 
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1OMQ
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6O56
 | | HNH Nuclease from S. pyogenes Cas9 | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1 | | Authors: | Newton, J.C, Lisi, G.P, Jogl, G. | | Deposit date: | 2019-03-01 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Allosteric Motions of the CRISPR-Cas9 HNH Nuclease Probed by NMR and Molecular Dynamics.
J.Am.Chem.Soc., 142, 2020
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1PIK
 | | ESPERAMICIN A1-DNA COMPLEX, NMR, 4 STRUCTURES | | Descriptor: | 2,4-dideoxy-3-O-methyl-4-(propan-2-ylamino)-alpha-L-threo-pentopyranose-(1-2)-4-amino-4,6-dideoxy-beta-D-glucopyranose, 2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexopyranose, 2-deoxy-alpha-L-fucopyranose, ... | | Authors: | Kumar, R.A, Ikemoto, N, Patel, D.J. | | Deposit date: | 1996-12-11 | | Release date: | 1997-03-12 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Esperamicin A1-DNA Complex
J.Mol.Biol., 265, 1997
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4DOB
 | | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monochlororomethylene triphosphate: Stereoselective binding of R-isomer | | Descriptor: | 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine, C C G A C C G C G C A T C A G C, CHLORIDE ION, ... | | Authors: | Batra, V.K. | | Deposit date: | 2012-02-09 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Beta,Gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases
J.Am.Chem.Soc., 134, 2012
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4DOA
 | | Ternary complex of dna polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monofluoromethylene triphosphate: non-interactive binding of s-isomer | | Descriptor: | 2'-deoxy-5'-O-[(R)-{[(R)-[(S)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, C C G A C C G C G C A T C A G C, CHLORIDE ION, ... | | Authors: | Batra, V.K. | | Deposit date: | 2012-02-09 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.051 Å) | | Cite: | Beta,gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases
J.Am.Chem.Soc., 134, 2012
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1PUN
 | | Solution Structure of the MutT Pyrophosphohydrolase Complexed with Mg(2+) and 8-oxo-dGMP, a Tightly-bound Product | | Descriptor: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, Mutator mutT protein | | Authors: | Massiah, M.A, Saraswat, V, Azurmendi, H.F, Mildvan, A.S. | | Deposit date: | 2003-06-25 | | Release date: | 2003-08-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure and NH exchange studies of the MutT pyrophosphohydrolase complexed with Mg(2+) and 8-oxo-dGMP, a tightly bound product.
Biochemistry, 42, 2003
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1NBR
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4DOC
 | | Ternary complex of dna polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monochlororomethylene triphosphate:binding of S-isomer | | Descriptor: | 5'-O-[(R)-{[(S)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine, C C G A C C G C G C A T C A G C, CHLORIDE ION, ... | | Authors: | Batra, V.K. | | Deposit date: | 2012-02-09 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.949 Å) | | Cite: | Beta,gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases
J.Am.Chem.Soc., 134, 2012
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1PUQ
 | | Solution Structure of the MutT Pyrophosphohydrolase Complexed with Mg(2+) and 8-oxo-dGMP, a Tightly-bound Product | | Descriptor: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, Mutator mutT protein | | Authors: | Massiah, M.A, Saraswat, V, Azurmendi, H.F, Mildvan, A.S. | | Deposit date: | 2003-06-25 | | Release date: | 2003-08-26 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure and NH exchange studies of the MutT pyrophosphohydrolase complexed with Mg(2+) and 8-oxo-dGMP, a tightly bound product.
Biochemistry, 42, 2003
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1RJA
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4BKT
 | | von Hippel Lindau protein:ElonginB:ElonginC complex, in complex with (2S,4R)-N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide | | Descriptor: | (2S,4R)-N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, ARGININE, GLUTAMIC ACID, ... | | Authors: | Van Molle, I, Dias, D.M, Baud, M, Galdeano, C, Geraldes, C.F.G.C, Ciulli, A. | | Deposit date: | 2013-04-29 | | Release date: | 2013-11-27 | | Last modified: | 2017-07-12 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Is NMR Fragment Screening Fine-Tuned to Assess Druggability of Protein-Protein Interactions?
Acs Med.Chem.Lett., 5, 2014
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4BKS
 | | von Hippel Lindau protein:ElonginB:ElonginC complex, in complex with (2S,4R)-1-ethanoyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | | Descriptor: | (2S,4R)-1-ethanoyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, ACETATE ION, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | | Authors: | Van Molle, I, Dias, D.M, Baud, M, Galdeano, C, Geraldes, C.F.G.C, Ciulli, A. | | Deposit date: | 2013-04-29 | | Release date: | 2013-11-27 | | Last modified: | 2014-01-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Is NMR Fragment Screening Fine-Tuned to Assess Druggability of Protein-Protein Interactions?
Acs Med.Chem.Lett., 5, 2014
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1PUS
 | | Solution Structure of the MutT Pyrophosphohydrolase Complexed with Mg(2+) and 8-oxo-dGMP, a Tightly-bound Product | | Descriptor: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, Mutator mutT protein | | Authors: | Massiah, M.A, Saraswat, V, Azurmendi, H.F, Mildvan, A.S. | | Deposit date: | 2003-06-25 | | Release date: | 2003-08-26 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure and NH exchange studies of the MutT pyrophosphohydrolase complexed with Mg(2+) and 8-oxo-dGMP, a tightly bound product.
Biochemistry, 42, 2003
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1QSV
 | | THE VEGF-BINDING DOMAIN OF FLT-1, 20 NMR STRUCTURES | | Descriptor: | VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1 | | Authors: | Starovasnik, M.A, Christinger, H.W, Wiesmann, C, Champe, M.A, de Vos, A.M, Skelton, N.J. | | Deposit date: | 1999-06-23 | | Release date: | 1999-11-10 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the VEGF-binding domain of Flt-1: comparison of its free and bound states.
J.Mol.Biol., 293, 1999
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1MYN
 | | SOLUTION STRUCTURE OF DROSOMYCIN, THE FIRST INDUCIBLE ANTIFUNGAL PROTEIN FROM INSECTS, NMR, 15 STRUCTURES | | Descriptor: | DROSOMYCIN | | Authors: | Landon, C, Sodano, P, Hetru, C, Hoffmann, J.A, Ptak, M. | | Deposit date: | 1996-12-26 | | Release date: | 1997-12-31 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structure of drosomycin, the first inducible antifungal protein from insects.
Protein Sci., 6, 1997
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4DO9
 | | Ternary complex of dna polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monofluoromethylene triphosphate: stereoselective binding of r-isomer | | Descriptor: | 2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE, C C G A C C G C G C A T C A G C, CHLORIDE ION, ... | | Authors: | Batra, V.K. | | Deposit date: | 2012-02-09 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Beta,gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases
J.Am.Chem.Soc., 134, 2012
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1NP5
 | | (GAC)3 parallel duplex | | Descriptor: | 5'-D(*GP*AP*CP*GP*AP*CP*GP*AP*C)-3' | | Authors: | Zheng, M, Han, X, Gao, X. | | Deposit date: | 2003-01-17 | | Release date: | 2003-02-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Strand polarity of trinucleotide repeat sequences:
NMR studies of parallel/anti-pararell duplex,{d(GAC)3}2
To be Published
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1PPX
 | | Solution Structure of the MutT Pyrophosphohydrolase Complexed with Mg(2+) and 8-oxo-dGMP, a Tightly-bound Product | | Descriptor: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, Mutator mutT protein | | Authors: | Massiah, M.A, Saraswat, V, Azurmendi, H.F, Mildvan, A.S. | | Deposit date: | 2003-06-17 | | Release date: | 2003-08-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure and NH exchange studies of the MutT pyrophosphohydrolase complexed with Mg(2+) and 8-oxo-dGMP, a tightly bound product.
Biochemistry, 42, 2003
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6QXZ
 | | Solution structure of the ASHH2 CW domain with the N-terminal histone H3 tail mimicking peptide monomethylated on lysine 4 | | Descriptor: | ALA-ARG-THR-MLZ-GLN-THR-ALA-ARG-TYR, Histone-lysine N-methyltransferase ASHH2, ZINC ION | | Authors: | Dobrovolska, O, Madeleine, N, Teigen, K, Halskau, O, Bril'kov, M. | | Deposit date: | 2019-03-08 | | Release date: | 2019-12-04 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Arabidopsis (ASHH2) CW domain binds monomethylated K4 of the histone H3 tail through conformational selection.
Febs J., 287, 2020
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7VQH
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2RQ8
 | | Solution NMR structure of titin I27 domain mutant | | Descriptor: | Titin | | Authors: | Yagawa, K, Oguro, T, Momose, T, Kawano, S, Sato, T, Endo, T. | | Deposit date: | 2009-03-05 | | Release date: | 2010-02-02 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structural basis for unfolding pathway-dependent stability of proteins: Vectorial unfolding vs. global unfolding
Protein Sci., 2010
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5TJK
 | | Crystal structure of GTA + A trisaccharide (native) | | Descriptor: | GLYCEROL, Histo-blood group ABO system transferase, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | | Authors: | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | | Deposit date: | 2016-10-04 | | Release date: | 2017-06-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release.
Glycobiology, 27, 2017
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6R9Z
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5TJL
 | | Crystal structure of GTA + A trisaccharide (mercury derivative) | | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | | Authors: | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | | Deposit date: | 2016-10-04 | | Release date: | 2017-06-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release.
Glycobiology, 27, 2017
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