3UDV
| Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1C | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION | 著者 | Shaw, G, Shi, G, Ji, X. | 登録日 | 2011-10-28 | 公開日 | 2012-01-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties. Bioorg.Med.Chem., 20, 2012
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2AJ3
| Crystal Structure of a Cross-Reactive HIV-1 Neutralizing CD4-Binding Site Antibody Fab m18 | 分子名称: | Fab m18, Heavy Chain, Light Chain, ... | 著者 | Prabakaran, P, Gan, J, Wu, Y.Q, Zhang, M.Y, Dimitrov, D.S, Ji, X. | 登録日 | 2005-08-01 | 公開日 | 2006-03-28 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Structural mimicry of CD4 by a cross-reactive HIV-1 neutralizing antibody with CDR-H2 and H3 containing unique motifs. J.Mol.Biol., 357, 2006
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2EZ6
| Crystal structure of Aquifex aeolicus RNase III (D44N) complexed with product of double-stranded RNA processing | 分子名称: | 28-MER, MAGNESIUM ION, Ribonuclease III | 著者 | Gan, J, Tropea, J.E, Austin, B.P, Court, D.L, Waugh, D.S, Ji, X. | 登録日 | 2005-11-10 | 公開日 | 2006-02-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structural Insight into the Mechanism of Double-Stranded RNA Processing by Ribonuclease III. Cell(Cambridge,Mass.), 124, 2006
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5Y6N
| Zika virus helicase in complex with ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Helicase domain from Genome polyprotein, MANGANESE (II) ION | 著者 | Yang, X.Y, Chen, C, Tian, H.L, Chi, H, Mu, Z.Y, Zhang, T.Q, Yang, K.L, Zhao, Q, Liu, X.H, Wang, Z.F, Ji, X.Y, Yang, H.T. | 登録日 | 2017-08-12 | 公開日 | 2018-07-04 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.571 Å) | 主引用文献 | Mechanism of ATP hydrolysis by the Zika virus helicase. FASEB J., 32, 2018
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5Y6M
| Zika virus helicase in complex with ADP-AlF3 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Helicase domain from Genome polyprotein, ... | 著者 | Yang, X.Y, Chen, C, Tian, H.L, Chi, H, Mu, Z.Y, Zhang, T.Q, Yang, K.L, Zhao, Q, Liu, X.H, Wang, Z.F, Ji, X.Y, Yang, H.T. | 登録日 | 2017-08-12 | 公開日 | 2018-07-04 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.002 Å) | 主引用文献 | Mechanism of ATP hydrolysis by the Zika virus helicase. FASEB J., 32, 2018
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1KBR
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6FD2
| Radical SAM 1,2-diol dehydratase AprD4 in complex with its substrate paromamine | 分子名称: | 5'-DEOXYADENOSINE, IRON/SULFUR CLUSTER, METHIONINE, ... | 著者 | Liu, W.Q, Amara, P, Mouesca, J.M, Ji, X, Renoux, O, Martin, L, Zhang, C, Zhang, Q, Nicolet, Y. | 登録日 | 2017-12-21 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | 1,2-Diol Dehydration by the Radical SAM Enzyme AprD4: A Matter of Proton Circulation and Substrate Flexibility. J. Am. Chem. Soc., 140, 2018
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4PZV
| Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D | 分子名称: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine | 著者 | Shaw, G.X, Shi, G, Ji, X. | 登録日 | 2014-03-31 | 公開日 | 2014-07-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.704 Å) | 主引用文献 | Structural enzymology and inhibition of the bi-functional folate pathway enzyme HPPK-DHPS from the biowarfare agent Francisella tularensis. Febs J., 281, 2014
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1IM6
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1RAO
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6AN6
| Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-72 | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine | 著者 | Shaw, G.X, Shi, G, Ji, X. | 登録日 | 2017-08-12 | 公開日 | 2018-08-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Bisubstrate analogue inhibitors of HPPK: Transition state mimetics to be published
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1HKA
| 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE | 分子名称: | 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE | 著者 | Xiao, B, Shi, G, Chen, X, Yan, H, Ji, X. | 登録日 | 1998-09-29 | 公開日 | 1999-06-08 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, a potential target for the development of novel antimicrobial agents. Structure Fold.Des., 7, 1999
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6AN4
| Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-39 (J1F) | 分子名称: | ((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-N-(2-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION | 著者 | Shaw, G.X, Shi, G, Ji, X. | 登録日 | 2017-08-12 | 公開日 | 2018-08-15 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Bisubstrate analog inhibitors of HPPK: Transition state mimetics to be published
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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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1TMJ
| Crystal structure of E.coli apo-HPPK(W89A) at 1.45 Angstrom resolution | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION, MAGNESIUM ION | 著者 | Blaszczyk, J, Ji, X. | 登録日 | 2004-06-10 | 公開日 | 2005-06-21 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Is the Critical Role of Loop 3 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase in Catalysis Due to Loop-3 Residues Arginine-84 and Tryptophan-89? Site-Directed Mutagenesis, Biochemical, and Crystallographic Studies. Biochemistry, 44, 2005
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1RTZ
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1RU1
| CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI HPPK(V83G/DEL84-89) WITH MGAMPCPP AND 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 1.40 ANGSTROM RESOLUTION (MONOCLINIC FORM) | 分子名称: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION, ... | 著者 | Blaszczyk, J, Ji, X. | 登録日 | 2003-12-10 | 公開日 | 2004-02-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Essential Roles of a Dynamic Loop in the Catalysis of 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase. Biochemistry, 43, 2004
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1RU2
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1TMM
| Crystal structure of ternary complex of E.coli HPPK(W89A) with MGAMPCPP and 6-Hydroxymethylpterin | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-HYDROXYMETHYLPTERIN, ACETATE ION, ... | 著者 | Blaszczyk, J, Li, Y, Wu, Y, Shi, G, Ji, X, Yan, H. | 登録日 | 2004-06-10 | 公開日 | 2005-06-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Is the Critical Role of Loop 3 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase in Catalysis Due to Loop-3 Residues Arginine-84 and Tryptophan-89? Site-Directed Mutagenesis, Biochemical, and Crystallographic Studies. Biochemistry, 44, 2005
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3R9W
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3R9X
| Crystal structure of Era in complex with MgGDPNP, nucleotides 1506-1542 of 16S ribosomal RNA, and KsgA | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, GTPase Era, ... | 著者 | Tu, C, Ji, X. | 登録日 | 2011-03-26 | 公開日 | 2011-06-22 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The Era GTPase recognizes the GAUCACCUCC sequence and binds helix 45 near the 3' end of 16S rRNA. Proc.Natl.Acad.Sci.USA, 108, 2011
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8EVK
| Crystal structure of Helicobacter pylori dihydroneopterin aldolase (DHNA) | 分子名称: | 1,2-ETHANEDIOL, Dihydroneopterin aldolase, PTERINE | 著者 | Shaw, G.X, Cherry, S, Tropea, J.E, Ji, X. | 登録日 | 2022-10-20 | 公開日 | 2023-03-01 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Structure of Helicobacter pylori dihydroneopterin aldolase suggests a fragment-based strategy for isozyme-specific inhibitor design. Curr Res Struct Biol, 5, 2023
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1GBU
| DEOXY (BETA-(C93A,C112G)) HUMAN HEMOGLOBIN | 分子名称: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | 著者 | Vasquez, G.B, Ji, X, Fronticelli, C, Gilliland, G.L. | 登録日 | 1996-01-04 | 公開日 | 1997-01-11 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Cysteines beta93 and beta112 as probes of conformational and functional events at the human hemoglobin subunit interfaces. Biophys.J., 76, 1999
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1GBV
| (ALPHA-OXY, BETA-(C112G)DEOXY) T-STATE HUMAN HEMOGLOBIN | 分子名称: | HEMOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Vasquez, G.B, Ji, X, Pechik, I, Fronticelli, C, Gilliland, G.L. | 登録日 | 1995-12-20 | 公開日 | 1997-01-11 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Cysteines beta93 and beta112 as probes of conformational and functional events at the human hemoglobin subunit interfaces. Biophys.J., 76, 1999
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1HDB
| ANALYSIS OF THE CRYSTAL STRUCTURE, MOLECULAR MODELING AND INFRARED SPECTROSCOPY OF THE DISTAL BETA-HEME POCKET VALINE67(E11)-THREONINE MUTATION OF HEMOGLOBIN | 分子名称: | HEMOGLOBIN (DEOXY) BETA-V67T, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | 著者 | Pechik, I, Ji, X, Fronticelli, C, Gilliland, G.L. | 登録日 | 1995-04-14 | 公開日 | 1996-04-03 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystallographic, molecular modeling, and biophysical characterization of the valine beta 67 (E11)-->threonine variant of hemoglobin. Biochemistry, 35, 1996
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