1ROQ
 
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7UOQ
 | | CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH (2S)-2-(TERT-BUTOXY)-2-(5-{2-[(2-CHLORO-6-M ETHYLPHENYL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL}-4- (4,4-DIMETHYLPIPERIDIN-1-YL)-2-METHYLPYRIDIN-3-YL)ACETIC ACID | | Descriptor: | (2S)-tert-butoxy[(5M)-5-{2-[(2-chloro-6-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid, Integrase, SULFATE ION | | Authors: | Lewis, H.A, Muckelbauer, J.K. | | Deposit date: | 2022-04-13 | | Release date: | 2022-07-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8867 Å) | | Cite: | Discovery and Preclinical Profiling of GSK3839919, a Potent HIV-1 Allosteric Integrase Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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1RBQ
 | | Human GAR Tfase complex structure with 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid | | Descriptor: | N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-D-GLUTAMIC ACID, PHOSPHATE ION, PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE | | Authors: | Zhang, Y, Desharnais, J, Boger, D.L, Wilson, I.A. | | Deposit date: | 2003-11-03 | | Release date: | 2005-06-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.104 Å) | | Cite: | Human GAR Tfase complex structure with polyglutamated
10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid
To be Published
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2KKA
 | | Human telomere DNA two-tetrad quadruplex structure in K+ solution | | Descriptor: | 5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*IP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3' | | Authors: | Zhang, Z, Dai, J, Yang, D. | | Deposit date: | 2009-06-16 | | Release date: | 2009-12-15 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure of a two-G-tetrad intramolecular G-quadruplex formed by a variant human telomeric sequence in K+ solution: insights into the interconversion of human telomeric G-quadruplex structures.
Nucleic Acids Res., 38, 2010
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1SBQ
 | | Crystal Structure of methenyltetrahydrofolate synthetase from Mycoplasma pneumoniae at 2.2 resolution | | Descriptor: | 5,10-Methenyltetrahydrofolate synthetase homolog, SULFATE ION | | Authors: | Chen, S, Shin, D.H, Pufan, R, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2004-02-10 | | Release date: | 2004-08-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of methenyltetrahydrofolate synthetase from Mycoplasma pneumoniae (GI: 13508087) at 2.2 A resolution
Proteins, 56, 2004
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2OBA
 | | Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase | | Descriptor: | Probable 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION | | Authors: | McGrath, T.E, Kisselman, G, Battaile, K, Romanov, V, Wu-Brown, J, Guthrie, J, Virag, C, Mansoury, K, Edwards, A.M, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2006-12-18 | | Release date: | 2007-01-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase
TO BE PUBLISHED
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1KT9
 | | Crystal Structure of C. elegans Ap4A Hydrolase | | Descriptor: | Diadenosine Tetraphosphate Hydrolase | | Authors: | Bailey, S, Sedelnikova, S.E, Blackburn, G.M, Abdelghany, H.M, Baker, P.J, McLennan, A.G, Rafferty, J.B. | | Deposit date: | 2002-01-15 | | Release date: | 2002-05-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The crystal structure of diadenosine tetraphosphate hydrolase from Caenorhabditis elegans in free and binary complex forms
Structure, 10, 2002
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1NMQ
 | | Extendend Tethering: In Situ Assembly of Inhibitors | | Descriptor: | 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3 | | Authors: | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T. | | Deposit date: | 2003-01-10 | | Release date: | 2003-03-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
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2AN5
 | | Structure of human PNMT complexed with S-adenosyl-homocysteine and an inhibitor, trans-(1S,2S)-2-amino-1-tetralol | | Descriptor: | PHOSPHATE ION, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Gee, C.L, Tyndall, J.D.A, Grunewald, G.L, Wu, Q, McLeish, M.J, Martin, J.L. | | Deposit date: | 2005-08-11 | | Release date: | 2006-03-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mode of binding of methyl acceptor substrates to the adrenaline-synthesizing enzyme phenylethanolamine N-methyltransferase: implications for catalysis
Biochemistry, 44, 2005
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2I10
 | | Putative TetR transcriptional regulator from Rhodococcus sp. RHA1 | | Descriptor: | P-NITROPHENOL, Putative TetR transcriptional regulator, TRIETHYLENE GLYCOL | | Authors: | Osipiuk, J, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-08-11 | | Release date: | 2006-09-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | X-ray crystal structure of putative TetR transcriptional regulator from Rhodococcus sp. RHA1.
To be Published
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2HYJ
 | | The crystal structure of a tetR-family transcriptional regulator from Streptomyces coelicolor | | Descriptor: | CALCIUM ION, Putative tetR-family transcriptional regulator, SULFATE ION | | Authors: | Zhang, R, Xu, X, Zheng, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-08-06 | | Release date: | 2006-09-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | The crystal structure of a tetR-family transcriptional regulator from Streptomyces coelicolor
To be Published, 2006
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2AN3
 | | Structure of PNMT with S-adenosyl-L-homocysteine and the semi-rigid analogue acceptor substrate cis-(1R,2S)-2-amino-1-tetralol. | | Descriptor: | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Gee, C.L, Tyndall, J.D.A, Grunewald, G.L, Wu, Q, McLeish, M.J, Martin, J.L. | | Deposit date: | 2005-08-11 | | Release date: | 2006-03-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mode of binding of methyl acceptor substrates to the adrenaline-synthesizing enzyme phenylethanolamine N-methyltransferase: implications for catalysis
Biochemistry, 44, 2005
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1Q8J
 | | Cobalamin-dependent methionine synthase (1-566) from Thermotoga maritima (Cd2+, Hcy, methyltetrahydrofolate complex) | | Descriptor: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydrofolate S-homocysteine methyltransferase, ... | | Authors: | Evans, J.C, Huddler, D.P, Hilgers, M.T, Romanchuk, G, Matthews, R.G, Ludwig, M.L. | | Deposit date: | 2003-08-21 | | Release date: | 2004-03-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of the N-terminal modules imply large domain motions during catalysis by methionine synthase.
Proc.Natl.Acad.Sci.Usa, 101, 2004
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2HXM
 | | Complex of UNG2 and a small Molecule synthetic Inhibitor | | Descriptor: | 4-[(1E,7E)-8-(2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL)-3,6-DIOXA-2,7-DIAZAOCTA-1,7-DIEN-1-YL]BENZOIC ACID, Uracil-DNA glycosylase | | Authors: | Bianchet, M.A, Krosky, D.J, Ghung, S, Seiple, L, Amzel, L.M, Stivers, J.T. | | Deposit date: | 2006-08-03 | | Release date: | 2006-12-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Mimicking damaged DNA with a small molecule inhibitor of human UNG2.
Nucleic Acids Res., 34, 2006
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2OXD
 | | Protein kinase CK2 in complex with tetrabromobenzoimidazole K17, K22 and K32 inhibitors | | Descriptor: | 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE, Casein kinase II subunit alpha | | Authors: | Battistutta, R, Zanotti, G, Cendron, L. | | Deposit date: | 2007-02-20 | | Release date: | 2007-09-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The ATP-Binding Site of Protein Kinase CK2 Holds a Positive Electrostatic Area and Conserved Water Molecules.
Chembiochem, 8, 2007
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1V3P
 | | Crystal structure of d(GCGAGAGC): the DNA octaplex structure with I-motif of G-quartet | | Descriptor: | 5'-D(*GP*(C38)P*GP*AP*GP*AP*GP*C)-3', POTASSIUM ION | | Authors: | Kondo, J, Umeda, S, Sunami, T, Takenaka, A. | | Deposit date: | 2003-11-03 | | Release date: | 2004-06-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of a DNA octaplex with I-motif of G-quartets and its splitting into two quadruplexes suggest a folding mechanism of eight tandem repeats
Nucleic Acids Res., 32, 2004
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1V93
 | | 5,10-Methylenetetrahydrofolate Reductase from Thermus thermophilus HB8 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 5,10-Methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Nakajima, Y, Miyahara, I, Hirotsu, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-01-20 | | Release date: | 2004-02-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of 5,10-Methylenetetrahydrofolate reductase from Thermus thermophilus HB8
To be Published
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2KM3
 | | Structure of an intramolecular G-quadruplex containing a G.C.G.C tetrad formed by human telomeric variant CTAGGG repeats | | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*CP*TP*AP*GP*GP*GP*CP*TP*AP*GP*GP*GP*CP*TP*AP*GP*GP*G)-3') | | Authors: | Lim, K.W, Alberti, P, Guedin, A, Lacroix, L, Riou, J.F, Royle, N.J, Mergny, J.L, Phan, A.T. | | Deposit date: | 2009-07-17 | | Release date: | 2009-11-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Sequence variant (CTAGGG)n in the human telomere favors a G-quadruplex structure containing a G.C.G.C tetrad
Nucleic Acids Res., 37, 2009
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1U3G
 | | Structural and Functional Characterization of a 5,10-Methenyltetrahydrofolate Synthetase from Mycoplasma pneumoniae (GI: 13508087) | | Descriptor: | 5,10-Methenyltetrahydrofolate Synthetase, 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Chen, S, Yakunin, A.F, Proudfoot, M, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2004-07-21 | | Release date: | 2004-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of methenyltetrahydrofolate synthetase from Mycoplasma pneumoniae (GI: 13508087) at 2.2 A resolution
Proteins, 56, 2004
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7KS6
 | | STRUCTURE OF TETRASACCHARIDE BUILDING BLOCK OF A SULFATED FUCAN FROM LYTECHINUS VARIEGATUS | | Descriptor: | 4-O-sulfo-alpha-L-fucopyranose-(1-3)-2,4-di-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose | | Authors: | Kim, S.B, Thara, R, Aderibigbe, A.O, Doerksen, R.J, Pomin, V.H. | | Deposit date: | 2020-11-21 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Conformational properties of l-fucose and the tetrasaccharide building block of the sulfated l-fucan from Lytechinus variegatus.
J.Struct.Biol., 209, 2020
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1QS4
 | | Core domain of HIV-1 integrase complexed with Mg++ and 1-(5-chloroindol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)-propenone | | Descriptor: | 1-(5-CHLOROINDOL-3-YL)-3-HYDROXY-3-(2H-TETRAZOL-5-YL)-PROPENONE, MAGNESIUM ION, PROTEIN (HIV-1 INTEGRASE (E.C.2.7.7.49)) | | Authors: | Goldgur, Y, Craigie, R, Fujiwara, T, Yoshinaga, T, Davies, D.R. | | Deposit date: | 1999-06-25 | | Release date: | 1999-11-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the HIV-1 integrase catalytic domain complexed with an inhibitor: a platform for antiviral drug design.
Proc.Natl.Acad.Sci.USA, 96, 1999
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1PXD
 | | 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
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1UT6
 | | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with N-9-(1',2',3',4'-Tetrahydroacridinyl)-1,8- diaminooctane at 2.4 angstroms resolution. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE | | Authors: | Brumshtein, B, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.-P, Silman, I, Sussman, J.L. | | Deposit date: | 2003-12-04 | | Release date: | 2005-04-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge.
J.Med.Chem., 49, 2006
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2PZI
 | | Crystal Structure of Protein kinase PknG from Mycobacterium tuberculosis in Complex with Tetrahydrobenzothiophene AX20017 | | Descriptor: | 2-[(CYCLOPROPYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Honnappa, S, Steinmetz, M.O. | | Deposit date: | 2007-05-18 | | Release date: | 2007-07-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for the specific inhibition of protein kinase G, a virulence factor of Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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1QOM
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH SWAPPED N-TERMINAL HOOK | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Crane, B.R, Rosenfeld, R.A, Arvai, A.S, Tainer, J.A, Stuehr, D.J, Getzoff, E.D. | | Deposit date: | 1999-11-15 | | Release date: | 1999-12-15 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | N-Terminal Domain Swapping and Metal Ion Binding in Nitric Oxide Synthase Dimerization
Embo J., 18, 1999
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