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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8F4O
 | | Apo structure of the TPP riboswitch aptamer domain | | 分子名称: | IRIDIUM HEXAMMINE ION, TETRAETHYLENE GLYCOL, TPP riboswitch aptamer domain, ... | | 著者 | Lee, H.-K, Wang, Y.-X, Stagno, J.R. | | 登録日 | 2022-11-11 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Crystal structure of Escherichia coli thiamine pyrophosphate-sensing riboswitch in the apo state.
Structure, 31, 2023
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3IP0
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5KGW
 | | HIV1 catalytic core domain in complex with inhibitor: (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | | 分子名称: | (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION | | 著者 | Feng, L, Kobe, M, Kvaratskhelia, M. | | 登録日 | 2016-06-13 | | 公開日 | 2016-10-19 | | 最終更新日 | 2018-03-07 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Indole-based allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 26, 2016
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5KGX
 | | HIV1 catalytic core domain in complex with an inhibitor (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | | 分子名称: | (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION | | 著者 | Feng, L, Kobe, M, Kvaratskhelia, M. | | 登録日 | 2016-06-13 | | 公開日 | 2016-10-19 | | 最終更新日 | 2018-03-07 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Indole-based allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 26, 2016
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1RAO
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1RB0
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7YC9
 | | Co-crystal structure of BTK kinase domain with inhibitor | | 分子名称: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK | | 著者 | Zhou, X. | | 登録日 | 2022-07-01 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
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1EQM
 | | CRYSTAL STRUCTURE OF BINARY COMPLEX OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE WITH ADENOSINE-5'-DIPHOSPHATE | | 分子名称: | 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Xiao, B, Blaszczyk, J, Ji, X. | | 登録日 | 2000-04-05 | | 公開日 | 2001-04-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Unusual conformational changes in 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase as revealed by X-ray crystallography and NMR.
J.Biol.Chem., 276, 2001
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1F9H
 | | CRYSTAL STRUCTURE OF THE TERNARY COMPLEX OF E. COLI HPPK(R92A) WITH MGAMPCPP AND 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 1.50 ANGSTROM RESOLUTION | | 分子名称: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, CHLORIDE ION, ... | | 著者 | Blaszczyk, J, Ji, X. | | 登録日 | 2000-07-10 | | 公開日 | 2003-04-15 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Dynamic Roles of Arginine Residues 82 and 92 of Escherichia coli
6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase: Crystallographic
Studies
Biochemistry, 42, 2003
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1Q0N
 | | CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE FROM E. COLI WITH MGAMPCPP AND 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 1.25 ANGSTROM RESOLUTION | | 分子名称: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, ... | | 著者 | Blaszczyk, J, Ji, X. | | 登録日 | 2003-07-16 | | 公開日 | 2003-08-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Catalytic Center Assembly of Hppk as Revealed by the Crystal Structure of a Ternary Complex at 1.25 A Resolution
Structure, 8, 2000
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6J6M
 | | Co-crystal structure of BTK kinase domain with Zanubrutinib | | 分子名称: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK | | 著者 | Zhou, X, Hong, Y. | | 登録日 | 2019-01-15 | | 公開日 | 2019-10-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
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8HTR
 | | Crystal structure of Bcl2 in complex with S-9c | | 分子名称: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | 著者 | Liu, J, Xu, M, Feng, Y, Liu, Y. | | 登録日 | 2022-12-21 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
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8HTS
 | | Crystal structure of Bcl2 in complex with S-10r | | 分子名称: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | 著者 | Liu, J, Xu, M, Feng, Y, Liu, Y. | | 登録日 | 2022-12-21 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
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3HCX
 | | Crystal structure of E. coli HPPK(N10A) | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION | | 著者 | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | | 登録日 | 2009-05-06 | | 公開日 | 2010-05-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Role of loop coupling in enzymatic catalysis and conformational dynamics
To be Published
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3HD2
 | | Crystal structure of E. coli HPPK(Q50A) in complex with MgAMPCPP and pterin | | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, CHLORIDE ION, ... | | 著者 | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | | 登録日 | 2009-05-06 | | 公開日 | 2010-05-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Role of loop coupling in enzymatic catalysis and conformational dynamics
To be Published
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3HD1
 | | Crystal structure of E. coli HPPK(N10A) in complex with MgAMPCPP | | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, CHLORIDE ION, ... | | 著者 | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | | 登録日 | 2009-05-06 | | 公開日 | 2010-05-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Role of loop coupling in enzymatic catalysis and conformational dynamics
To be Published
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3HSJ
 | | Crystal structure of E. coli HPPK(N55A) | | 分子名称: | ACETATE ION, GLYCEROL, HPPK | | 著者 | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | | 登録日 | 2009-06-10 | | 公開日 | 2010-06-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Pterin-binding site mutation Y53A, N55A or F123A and activity of E. coli HPPK
To be Published
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3ILL
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3ILI
 | | Crystal structure of E. coli HPPK(D95A) | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, ... | | 著者 | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | | 登録日 | 2009-08-07 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structural and functional roles of residues D95 and D97 in E. coli HPPK
To be Published
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3ILO
 | | Crystal structure of E. coli HPPK(D97A) in complex with MgAMPCPP and 6-hydroxymethyl-7,8-dihydropterin | | 分子名称: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, ... | | 著者 | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | | 登録日 | 2009-08-07 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Structural and functional roles of residues D95 and D97 in E. coli HPPK
To be Published
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3HT0
 | | Crystal structure of E. coli HPPK(F123A) in complex with MgAMPCPP | | 分子名称: | CHLORIDE ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, HPPK, ... | | 著者 | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | | 登録日 | 2009-06-11 | | 公開日 | 2010-06-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Pterin-binding site mutation Y53A, N55A or F123A and activity of E. coli HPPK
To be Published
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3HSG
 | | Crystal structure of E. coli HPPK(Y53A) in complex with MgAMPCPP | | 分子名称: | ACETATE ION, CHLORIDE ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | | 著者 | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | | 登録日 | 2009-06-10 | | 公開日 | 2010-06-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Pterin-binding site mutation Y53A, N55A or F123A and activity of E. coli HPPK
To be Published
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3ILJ
 | | Crystal structure of E. coli HPPK(D95A) in complex with MgAMPCPP | | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, CHLORIDE ION, ... | | 著者 | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | | 登録日 | 2009-08-07 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural and functional roles of residues D95 and D97 in E. coli HPPK
To be Published
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3HSD
 | | Crystal structure of E. coli HPPK(Y53A) | | 分子名称: | CHLORIDE ION, GLYCEROL, HPPK, ... | | 著者 | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | | 登録日 | 2009-06-10 | | 公開日 | 2010-06-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.652 Å) | | 主引用文献 | Pterin-binding site mutation Y53A, N55A or F123A and activity of E. coli HPPK.
To be Published
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