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PDB: 244 件
3CO8
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Crystal structure of alanine racemase from Oenococcus oeni
分子名称: Alanine racemase, PYRIDOXAL-5'-PHOSPHATE
著者Palani, K, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-03-27
公開日2008-04-08
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of alanine racemase from Oenococcus oeni with bound pyridoxal 5'-phosphate.
Acta Crystallogr.,Sect.F, 69, 2013
8FBX
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BU of 8fbx by Molmil
Selenosugar synthase SenB from Variovorax paradoxus
分子名称: CHLORIDE ION, SODIUM ION, Selenosugar synthase SenB
著者Ireland, K.A, Davis, K.M.
登録日2022-11-30
公開日2023-11-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Characterization and Ligand-Induced Conformational Changes of SenB, a Se-Glycosyltransferase Involved in Selenoneine Biosynthesis.
Biochemistry, 62, 2023
8STT
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BU of 8stt by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) varient in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor
分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
著者Hollander, K, Jorgensen, W.L, Anderson, K.S.
登録日2023-05-11
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8STP
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Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor
分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Hollander, K, Frey, K.M, Jorgensen, W.L, Anderson, K.S.
登録日2023-05-11
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
7U5Z
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Crystal Structure of HIV-1 Reverse Transcriptase in Complex with JLJ353
分子名称: 2-chloro-4-({5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl}amino)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S.
登録日2022-03-03
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, synthesis, and biological testing of biphenylmethyloxazole inhibitors targeting HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 84, 2023
8STR
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BU of 8str by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a non-nucleoside inhibitor
分子名称: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Hollander, K, Chan, A.H, Jorgensen, W.L, Anderson, K.S.
登録日2023-05-11
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8STU
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Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-6-fluoroindolizine-2-carbonitrile (JLJ578), a non-nucleoside inhibitor
分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
著者Hollander, K, Jorgensen, W.L, Anderson, K.S.
登録日2023-05-11
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8STV
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BU of 8stv by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600), a non-nucleoside inhibitor
分子名称: 1,2-ETHANEDIOL, 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, MAGNESIUM ION, ...
著者Hollander, K, Jorgensen, W.L, Anderson, K.S.
登録日2023-05-11
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8STQ
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BU of 8stq by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600), a non-nucleoside inhibitor
分子名称: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
著者Hollander, K, Frey, K.M, Jorgensen, W.L, Anderson, K.S.
登録日2023-05-11
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.955 Å)
主引用文献Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8STS
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BU of 8sts by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a non-nucleoside inhibitor
分子名称: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
著者Hollander, K, Jorgensen, W.L, Anderson, K.S.
登録日2023-05-11
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8U6B
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Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenethyl)acrylamide (JLJ731), a non-nucleoside inhibitor
分子名称: N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}prop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT
著者Hollander, K, Henry, S, Jorgensen, W.L, Anderson, K.S.
登録日2023-09-13
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
8U6A
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BU of 8u6a by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (JLJ729), a non-nucleoside inhibitor
分子名称: N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT
著者Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S.
登録日2023-09-13
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
8U69
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BU of 8u69 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-chloro-5-(4-chloro-2-(2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)benzonitrile (JLJ334), a non-nucleoside inhibitor
分子名称: 3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S.
登録日2023-09-13
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
8U6C
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BU of 8u6c by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 2-chloro-N-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenethyl)acetamide (JLJ732), a non-nucleoside inhibitor
分子名称: 2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide, Reverse transcriptase/ribonuclease H, p51 RT
著者Hollander, K, Henry, S, Jorgensen, W.L, Anderson, K.S.
登録日2023-09-13
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
8U6D
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BU of 8u6d by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenoxy)ethyl)-N-methylacrylamide (JLJ736), a non-nucleoside inhibitor
分子名称: N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT
著者Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S.
登録日2023-09-13
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
8E4F
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BU of 8e4f by Molmil
Crystal structure of dihydrofolate reductase (DHFR) from the filarial nematode W. bancrofti in complex with NADPH and folate
分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Lange, K, Frey, K.M, Goodey, N.M.
登録日2022-08-18
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Crystal structure of dihydrofolate reductase from the filarial nematode W. bancrofti in complex with NADPH and folate.
Plos Negl Trop Dis, 17, 2023
8F91
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OxyB, a cytochrome P450 involved in keratinimicin biosynthesis
分子名称: OxyB, PROTOPORPHYRIN IX CONTAINING FE
著者Ireland, K.A, Davis, K.M.
登録日2022-11-22
公開日2023-07-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Robust Chemoenzymatic Synthesis of Keratinimicin Aglycone Analogues Facilitated by the Structure and Selectivity of OxyB.
Acs Chem.Biol., 18, 2023
4QRA
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BU of 4qra by Molmil
Structure and specificity of L-D-Transpeptidase from Mycobacterium tuberculosis and antibiotic resistance: Calcium binding promotes dimer formation
分子名称: CALCIUM ION, L,d-transpeptidase LdtB
著者Gokulan, K, Varughese, K.I.
登録日2014-06-30
公開日2015-12-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure and specificity of L-D-Transpeptidase from Mycobacterium tuberculosis and antibiotic resistance: Calcium binding promotes dimer formation
To be Published
4QRB
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Structure and specificity of L-D-Transpeptidase from Mycobacterium tuberculosis and antibiotic resistance: Calcium binding promotes dimer formation
分子名称: GLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA, L,d-transpeptidase LdtB
著者Gokulan, K, Varughese, K.I.
登録日2014-06-30
公開日2015-12-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structure and specificity of L-D-Transpeptidase from Mycobacterium tuberculosis and antibiotic resistance: Calcium binding promotes dimer formation
To be Published
4QR7
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BU of 4qr7 by Molmil
Structure and specificity of L-D-Transpeptidase from Mycobacterium tuberculosis and antibiotic resistance: Calcium binding promotes dimer formation
分子名称: (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, GLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA, L,d-transpeptidase LdtB
著者Gokulan, K, Varughese, K.I.
登録日2014-06-30
公開日2015-07-29
最終更新日2022-02-02
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Structure and specificity of L-D-Transpeptidase from Mycobacterium tuberculosis and antibiotic resistance: Calcium binding promotes dimer formation
To be Published
4QTF
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Structure and specificity of L-D-Transpeptidase from Mycobacterium tuberculosis and antibiotic resistance: Calcium binding promotes dimer formation
分子名称: (3S,5S)-3-({[(aminomethyl)amino]methyl}sulfanyl)-5-[(2S)-1,3-dioxobutan-2-yl]-L-proline, GLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA, L,d-transpeptidase LdtB
著者Gokulan, K, Varughese, K.I.
登録日2014-07-07
公開日2015-07-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and specificity of L-D-Transpeptidase from Mycobacterium tuberculosis and antibiotic resistance: Calcium binding promotes dimer formation
To be Published
3LOP
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BU of 3lop by Molmil
Crystal structure of substrate-binding periplasmic protein (Pbp) from Ralstonia solanacearum
分子名称: 1,2-ETHANEDIOL, LEUCINE, MAGNESIUM ION, ...
著者Palani, K, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2010-02-04
公開日2010-02-23
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of substrate-binding periplasmic protein (Pbp) from Ralstonia solanacearum
To be Published
3ID9
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BU of 3id9 by Molmil
Crystal structure of a MutT/NUDIX family protein from Bacillus thuringiensis
分子名称: CHLORIDE ION, MutT/NUDIX family protein, SULFATE ION
著者Palani, K, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-07-20
公開日2009-09-08
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of a MutT/NUDIX family protein from Bacillus thuringiensis
To be Published
3ILV
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BU of 3ilv by Molmil
Crystal structure of a glutamine-dependent NAD(+) synthetase from Cytophaga hutchinsonii
分子名称: Glutamine-dependent NAD(+) synthetase
著者Palani, K, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-08-07
公開日2009-08-18
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal structure of a glutamine-dependent NAD(+) synthetase from Cytophaga hutchinsonii
To be Published
3KJX
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Crystal structure of a transcriptional regulator, Lacl family protein from Silicibacter pomeroyi
分子名称: Transcriptional regulator, LacI family
著者Palani, K, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-11-03
公開日2009-11-17
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Crystal structure of a transcriptional regulator, Lacl family protein from Silicibacter pomeroyi
To be Published

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件を2024-07-17に公開中

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