1S3W
 
 | | Structure Determination of Tetrahydroquinazoline Antifoaltes in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | | 分子名称: | 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | | 登録日 | 2004-01-14 | | 公開日 | 2004-03-30 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
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2VI5
 | | LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO N-6-(ribitylamino)pyrimidine-2,4(1H,3H)-dione-5-yl-propionamide | | 分子名称: | 1-deoxy-1-{[(5S)-2,6-dioxo-5-(propanoylamino)-1,2,5,6-tetrahydropyrimidin-4-yl]amino}-D-ribitol, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, PHOSPHATE ION, ... | | 著者 | Morgunova, E, Zhang, Y, Jin, G, Illarionov, B, Bacher, A, Fischer, M, Cushman, M, Ladenstein, R. | | 登録日 | 2007-11-27 | | 公開日 | 2008-04-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A New Series of N-[2,4-Dioxo-6-D-Ribitylamino-1,2, 3,4-Tetrahydropyrimidin-5-Yl]Oxalamic Acid Derivatives as Inhibitors of Lumazine Syntase and Riboflavin Synthase: Design, Synthesis, Biochemical Evaluation, Crystallography and Mechanistic Implications.
J.Org.Chem., 73, 2008
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1S3U
 | | Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | | 分子名称: | (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine, Dihydrofolate reductase, SULFATE ION | | 著者 | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | | 登録日 | 2004-01-14 | | 公開日 | 2004-03-30 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
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7YI7
 | | Crystal structure of Human HPSE1 in complex with inhibitor | | 分子名称: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit | | 著者 | Mima, M, Fujimoto, N, Imai, Y. | | 登録日 | 2022-07-15 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor.
Bioorg.Med.Chem.Lett., 79, 2022
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7YJC
 | | Crystal structure of Human HPSE1 in complex with inhibitor | | 分子名称: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit | | 著者 | Mima, M, Fujimoto, N, Imai, Y. | | 登録日 | 2022-07-19 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor.
Bioorg.Med.Chem.Lett., 79, 2022
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1U3F
 | | Structural and Functional Characterization of a 5,10-Methenyltetrahydrofolate Synthetase from Mycoplasma pneumoniae (GI: 13508087) | | 分子名称: | 5,10-Methenyltetrahydrofolate Synthetase, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Chen, S, Yakunin, A.F, Proudfoot, M, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | | 登録日 | 2004-07-21 | | 公開日 | 2004-12-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of methenyltetrahydrofolate synthetase from Mycoplasma pneumoniae (GI: 13508087) at 2.2 A resolution
Proteins, 56, 2004
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1P5E
 | | The structure of phospho-CDK2/cyclin A in complex with the inhibitor 4,5,6,7-tetrabromobenzotriazole (TBS) | | 分子名称: | 4,5,6,7-TETRABROMOBENZOTRIAZOLE, Cell division protein kinase 2, Cyclin A2 | | 著者 | De Moliner, E, Brown, N.R, Johnson, L.N. | | 登録日 | 2003-04-26 | | 公開日 | 2003-07-01 | | 最終更新日 | 2016-12-21 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Alternative binding modes of an inhibitor to two different kinases
Eur.J.Biochem., 270, 2003
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7XG9
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3V9D
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1ML6
 | | Crystal Structure of mGSTA2-2 in Complex with the Glutathione Conjugate of Benzo[a]pyrene-7(R),8(S)-Diol-9(S),10(R)-Epoxide | | 分子名称: | 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID, Glutathione S-Transferase GT41A, ISOPROPYL ALCOHOL | | 著者 | Gu, Y, Xiao, B, Wargo, H.L, Bucher, M.H, Singh, S.V, Ji, X. | | 登録日 | 2002-08-30 | | 公開日 | 2003-04-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Residues 207, 216, and 221 and the catalytic activity of mGSTA1-1 and mGSTA2-2 toward
benzo[a]pyrene-(7R,8S)-diol-(9S,10R)-epoxide
Biochemistry, 42, 2003
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1EE9
 | | CRYSTAL STRUCTURE OF THE NAD-DEPENDENT 5,10-METHYLENETETRAHYDROFOLATE DEHYDROGENASE FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH NAD | | 分子名称: | 5,10-METHYLENETETRAHYDROFOLATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Monzingo, A.F, Breksa, A, Ernst, S, Appling, D.R, Robertus, J.D. | | 登録日 | 2000-01-31 | | 公開日 | 2000-12-06 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The X-ray structure of the NAD-dependent 5,10-methylenetetrahydrofolate dehydrogenase from Saccharomyces cerevisiae.
Protein Sci., 9, 2000
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1EDZ
 | | STRUCTURE OF THE NAD-DEPENDENT 5,10-METHYLENETETRAHYDROFOLATE DEHYDROGENASE FROM SACCHAROMYCES CEREVISIAE | | 分子名称: | 5,10-METHYLENETETRAHYDROFOLATE DEHYDROGENASE | | 著者 | Monzingo, A.F, Breksa, A, Ernst, S, Appling, D.R, Robertus, J.D. | | 登録日 | 2000-01-28 | | 公開日 | 2000-12-06 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | The X-ray structure of the NAD-dependent 5,10-methylenetetrahydrofolate dehydrogenase from Saccharomyces cerevisiae.
Protein Sci., 9, 2000
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1RNG
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3TK8
 | | Structure of a 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Burkholderia pseudomallei | | 分子名称: | 1,2-ETHANEDIOL, 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase, SULFATE ION, ... | | 著者 | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2011-08-25 | | 公開日 | 2011-10-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure of a 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Burkholderia pseudomallei
TO BE PUBLISHED
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7Z2Z
 | | Structure of yeast RNA Polymerase III-DNA-Ty1 integrase complex (Pol III-DNA-IN1) at 3.1 A | | 分子名称: | (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol, DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ... | | 著者 | Nguyen, P.Q, Fernandez-Tornero, C. | | 登録日 | 2022-03-01 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | | 主引用文献 | Structural basis of Ty1 integrase tethering to RNA polymerase III for targeted retrotransposon integration.
Nat Commun, 14, 2023
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2X7A
 | | Structural basis of HIV-1 tethering to membranes by the Bst2-tetherin ectodomain | | 分子名称: | BONE MARROW STROMAL ANTIGEN 2, CHLORIDE ION, GLYCEROL, ... | | 著者 | Natrajan, G, McCarthy, A.A, Weissenhorn, W. | | 登録日 | 2010-02-25 | | 公開日 | 2010-04-28 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | Structural Basis of HIV-1 Tethering to Membranes by the Bst-2/Tetherin Ectodomain.
Cell Host Microbe, 7, 2010
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5TCS
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1EQB
 | | X-RAY CRYSTAL STRUCTURE AT 2.7 ANGSTROMS RESOLUTION OF TERNARY COMPLEX BETWEEN THE Y65F MUTANT OF E-COLI SERINE HYDROXYMETHYLTRANSFERASE, GLYCINE AND 5-FORMYL TETRAHYDROFOLATE | | 分子名称: | GLYCINE, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | Contestabile, R, Angelaccio, S, Bossa, F, Wright, H.T, Scarsdale, N, Kazanina, G, Schirch, V. | | 登録日 | 2000-04-03 | | 公開日 | 2000-04-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Role of tyrosine 65 in the mechanism of serine hydroxymethyltransferase.
Biochemistry, 39, 2000
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1V3P
 | | Crystal structure of d(GCGAGAGC): the DNA octaplex structure with I-motif of G-quartet | | 分子名称: | 5'-D(*GP*(C38)P*GP*AP*GP*AP*GP*C)-3', POTASSIUM ION | | 著者 | Kondo, J, Umeda, S, Sunami, T, Takenaka, A. | | 登録日 | 2003-11-03 | | 公開日 | 2004-06-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | 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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3V1S
 | | Scaffold tailoring by a newly detected Pictet-Spenglerase ac-tivity of strictosidine synthase (STR1): from the common tryp-toline skeleton to the rare piperazino-indole framework | | 分子名称: | 2-(1H-indol-1-yl)ethanamine, Strictosidine synthase | | 著者 | Wu, F, Zhu, H, Sun, L, Rajendran, C, Wang, M, Ren, X, Panjikar, S, Cherkasov, A, Zou, H, Stoeckigt, J. | | 登録日 | 2011-12-10 | | 公開日 | 2012-02-29 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.328 Å) | | 主引用文献 | Scaffold Tailoring by a Newly Detected Pictet-Spenglerase Activity of Strictosidine Synthase: From the Common Tryptoline Skeleton to the Rare Piperazino-indole Framework
J.Am.Chem.Soc., 134, 2012
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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. | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE | | 著者 | Brumshtein, B, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.-P, Silman, I, Sussman, J.L. | | 登録日 | 2003-12-04 | | 公開日 | 2005-04-21 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 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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1Q2J
 | | Structural basis for tetrodotoxin-resistant sodium channel binding by mu-conotoxin SmIIIA | | 分子名称: | Mu-conotoxin SmIIIA | | 著者 | Keizer, D.W, West, P.J, Lee, E.F, Olivera, B.M, Bulaj, G, Yoshikami, D, Norton, R.S. | | 登録日 | 2003-07-24 | | 公開日 | 2004-02-24 | | 最終更新日 | 2020-06-24 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural basis for tetrodotoxin-resistant sodium channel binding by mu-conotoxin SmIIIA.
J.Biol.Chem., 278, 2003
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1PXD
 | | Crystal structure of the complex of jacalin with meso-tetrasulphonatophenylporphyrin. | | 分子名称: | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-21H,23H-PORPHINE, Agglutinin alpha chain, Agglutinin beta-3 chain | | 著者 | Goel, M, Anuradha, P, Kaur, K.J, Maiya, B.G, Swamy, M.J, Salunke, D.M. | | 登録日 | 2003-07-03 | | 公開日 | 2004-02-03 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 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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2GUH
 | | Crystal Structure of the Putative TetR-family Transcriptional Regulator from Rhodococcus sp. RHA1 | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, Putative TetR-family transcriptional regulator | | 著者 | Kim, Y, Joachimiak, A, Skarina, T, Zheng, H, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2006-04-30 | | 公開日 | 2006-05-30 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Crystal Structure of the Putative TetR-family Transcriptional Regulator from Rhodococcus sp. RHA1
To be Published
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2HXM
 | | Complex of UNG2 and a small Molecule synthetic Inhibitor | | 分子名称: | 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 | | 著者 | Bianchet, M.A, Krosky, D.J, Ghung, S, Seiple, L, Amzel, L.M, Stivers, J.T. | | 登録日 | 2006-08-03 | | 公開日 | 2006-12-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Mimicking damaged DNA with a small molecule inhibitor of human UNG2.
Nucleic Acids Res., 34, 2006
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