6BTG
 
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3FZS
 | | Crystal Structure of PYK2 complexed with BIRB796 | | 分子名称: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Protein tyrosine kinase 2 beta | | 著者 | Han, S. | | 登録日 | 2009-01-26 | | 公開日 | 2009-03-31 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
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4A7B
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3UFJ
 | | Human Thymine DNA Glycosylase Bound to Substrate Analog 2'-fluoro-2'-deoxyuridine | | 分子名称: | 5'-D(*CP*AP*GP*CP*TP*CP*TP*GP*TP*AP*CP*GP*TP*GP*AP*GP*CP*AP*GP*TP*GP*GP*A)-3', 5'-D(*CP*CP*AP*CP*TP*GP*CP*TP*CP*AP*(UF2)P*GP*TP*AP*CP*AP*GP*AP*GP*CP*TP*GP*T)-3', G/T mismatch-specific thymine DNA glycosylase | | 著者 | Pozharski, E, Maiti, A, Drohat, A.C. | | 登録日 | 2011-11-01 | | 公開日 | 2012-04-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.967 Å) | | 主引用文献 | Lesion processing by a repair enzyme is severely curtailed by residues needed to prevent aberrant activity on undamaged DNA.
Proc.Natl.Acad.Sci.USA, 109, 2012
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6CU6
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6CIV
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4ALW
 | | Benzofuropyrimidinone Inhibitors of Pim-1 | | 分子名称: | 8-BROMANYL-2-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE, IMIDAZOLE, PIM-1 KINASE | | 著者 | Stout, T.J, Adams, L. | | 登録日 | 2012-03-05 | | 公開日 | 2013-01-16 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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3F4D
 | | Crystal structure of organophosphorus hydrolase from Geobacillus stearothermophilus strain 10 | | 分子名称: | COBALT (II) ION, Organophosphorus hydrolase | | 著者 | Hawwa, R, Aikens, J, Turner, R.J, Santarsiero, B, Mesecar, A. | | 登録日 | 2008-10-31 | | 公開日 | 2009-08-18 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Structural basis for thermostability revealed through the identification and characterization of a highly thermostable phosphotriesterase-like lactonase from Geobacillus stearothermophilus.
Arch.Biochem.Biophys., 488, 2009
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6AOC
 | | Crystal Structure of an N-Hydroxythienopyrimidine-2,4-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase | | 分子名称: | 1,2-ETHANEDIOL, 6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, MANGANESE (II) ION, ... | | 著者 | Kirby, K.A, Sarafianos, S.G. | | 登録日 | 2017-08-15 | | 公開日 | 2018-08-08 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design, synthesis and biological evaluations of N-Hydroxy thienopyrimidine-2,4-diones as inhibitors of HIV reverse transcriptase-associated RNase H.
Eur J Med Chem, 141, 2017
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3V7C
 | | Cystal structure of SaBPL in complex with inhibitor | | 分子名称: | 5'-deoxy-2',3'-O-(1-methylethylidene)-5'-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)adenosine, Biotin ligase | | 著者 | Yap, M.Y, Pendini, N.R. | | 登録日 | 2011-12-20 | | 公開日 | 2012-04-18 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Selective inhibition of biotin protein ligase from Staphylococcus aureus.
J.Biol.Chem., 287, 2012
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6AVC
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3V8J
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6APW
 | | Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor | | 分子名称: | 4-[(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)methyl]benzoic acid, Bifunctional ligase/repressor BirA | | 著者 | Cini, D.A, Wilce, M.C.J. | | 登録日 | 2017-08-18 | | 公開日 | 2018-02-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.614 Å) | | 主引用文献 | Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus.
ACS Infect Dis, 4, 2018
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4ALU
 | | Benzofuropyrimidinone Inhibitors of Pim-1 | | 分子名称: | 8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1 | | 著者 | Stout, T.J, Adams, L. | | 登録日 | 2012-03-05 | | 公開日 | 2013-01-16 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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6CBI
 | | PCNA in complex with inhibitor | | 分子名称: | GLY-ARG-LYS-ARG-ARG-GLN-DAB-SER-MET-THR-GLU-PHE-TYR-HIS, Proliferating cell nuclear antigen, SULFATE ION | | 著者 | Bruning, J.B, Wegener, K.L. | | 登録日 | 2018-02-03 | | 公開日 | 2018-07-04 | | 最終更新日 | 2020-01-29 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Rational Design of a 310-Helical PIP-Box Mimetic Targeting PCNA, the Human Sliding Clamp.
Chemistry, 24, 2018
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6CVE
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin Synthetase in complex with cytidine triphosphate and 7,8-diaminopelargonic acid | | 分子名称: | 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID, ATP-dependent dethiobiotin synthetase BioD, CITRATE ANION, ... | | 著者 | Thompson, A.P, Bruning, J.B, Wegener, K.L, Polyak, S.W. | | 登録日 | 2018-03-28 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
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3DLK
 | | Crystal Structure of an engineered form of the HIV-1 Reverse Transcriptase, RT69A | | 分子名称: | Reverse transcriptase/ribonuclease H, SULFATE ION, p51 RT | | 著者 | Ho, W.C, Bauman, J.D, Himmel, D.M, Das, K, Arnold, E. | | 登録日 | 2008-06-27 | | 公開日 | 2008-10-07 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design.
Nucleic Acids Res., 36, 2008
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3V7S
 | | Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor 0364 | | 分子名称: | 5-methyl-3-[4-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-1,3-benzoxazol-2(3H)-one, Biotin ligase | | 著者 | Yap, M.Y, Pendini, N.R. | | 登録日 | 2011-12-21 | | 公開日 | 2012-04-25 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Selective inhibition of biotin protein ligase from Staphylococcus aureus.
J.Biol.Chem., 287, 2012
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3VVP
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6CVV
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with adenosine triphosphate (ATP) - promiscuous binding mode with disordered nucleoside | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION | | 著者 | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | | 登録日 | 2018-03-29 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
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6CWT
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6CZC
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with thymidine triphosphate (TTP) - promiscuous binding mode with disordered nucleoside | | 分子名称: | ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE | | 著者 | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | | 登録日 | 2018-04-09 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
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6CZE
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with inosine triphosphate (ITP) - promiscuous binding mode with disordered nucleoside | | 分子名称: | ATP-dependent dethiobiotin synthetase BioD, INOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION | | 著者 | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | | 登録日 | 2018-04-09 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
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6CVF
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine diphosphate | | 分子名称: | ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION | | 著者 | Thompson, A.P, Bruning, J.B, Wegener, K.L, Polyak, S.W. | | 登録日 | 2018-03-28 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
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6CZB
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with uridine triphosphate (UTP) - promiscuous binding mode with disordered nucleoside | | 分子名称: | ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE | | 著者 | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | | 登録日 | 2018-04-09 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
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