6FFX
 
 | | Crystal structure of R. ruber ADH-A, mutant F43H | | 分子名称: | Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | 著者 | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | | 登録日 | 2018-01-09 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Directed Evolution of Alcohol Dehydrogenase for Improved Stereoselective Redox Transformations of 1-Phenylethane-1,2-diol and Its Corresponding Acyloin.
Biochemistry, 57, 2018
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6G1B
 | | Corynebacterium glutamicum OxyR, oxidized form | | 分子名称: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, FORMIC ACID, HYDROGEN PEROXIDE, ... | | 著者 | Young, D.R, Pedre, B.P, Messens, J.M. | | 登録日 | 2018-03-21 | | 公開日 | 2018-12-05 | | 最終更新日 | 2025-04-09 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6G4R
 | | Corynebacterium glutamicum OxyR C206S mutant, H2O2-bound | | 分子名称: | 1,2-ETHANEDIOL, HYDROGEN PEROXIDE, Hydrogen peroxide-inducible genes activator, ... | | 著者 | Young, D.R, Pedre, B.P, Messens, J.M. | | 登録日 | 2018-03-28 | | 公開日 | 2018-12-05 | | 最終更新日 | 2025-04-09 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6G1D
 | | Corynebacterium glutamicum OxyR C206 mutant | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | | 著者 | Young, D.R, Pedre, B.P, Messens, J.M. | | 登録日 | 2018-03-21 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.992 Å) | | 主引用文献 | Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6G2M
 | | Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PAU | | 分子名称: | 1,2-ETHANEDIOL, 5'(3')-deoxyribonucleotidase, mitochondrial, ... | | 著者 | Pachl, P, Rezacova, P, Brynda, J. | | 登録日 | 2018-03-23 | | 公開日 | 2018-07-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Structure-based optimization of bisphosphonate nucleoside inhibitors of human 5'(3')-deoxyribonucleotidases
Eur.J.Org.Chem., 2018
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6G2N
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6GEV
 | | Mineralocorticoid receptor in complex with (s)-13 | | 分子名称: | 6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one, GLYCEROL, Mineralocorticoid receptor, ... | | 著者 | Edman, K, Aagaard, A, Tangefjord, S. | | 登録日 | 2018-04-27 | | 公開日 | 2019-01-09 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
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6G22
 | | Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PEU | | 分子名称: | 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, mitochondrial, ... | | 著者 | Pachl, P, Rezacova, P, Brynda, J. | | 登録日 | 2018-03-22 | | 公開日 | 2018-07-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure-based optimization of bisphosphonate nucleoside inhibitors of human 5'(3')-deoxyribonucleotidases
Eur.J.Org.Chem., 2018
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6G2L
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6GG8
 | | Mineralocorticoid receptor in complex with (s)-13 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Mineralocorticoid receptor, Nuclear receptor coactivator 1, ... | | 著者 | Edman, K, Aagaard, A, Tangefjord, S. | | 登録日 | 2018-05-03 | | 公開日 | 2019-01-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
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6NJ9
 | | Active state Dot1L bound to the H2B-Ubiquitinated nucleosome, 2-to-1 complex | | 分子名称: | 601 DNA Strand 1, 601 DNA Strand 2, Histone H2A type 1, ... | | 著者 | Worden, E.J, Hoffmann, N.A, Wolberger, C. | | 登録日 | 2019-01-02 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | | 主引用文献 | Mechanism of Cross-talk between H2B Ubiquitination and H3 Methylation by Dot1L.
Cell, 176, 2019
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3EXM
 | | Crystal structure of the phosphatase SC4828 with the non-hydrolyzable nucleotide GPCP | | 分子名称: | CALCIUM ION, GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER, ... | | 著者 | Singer, A.U, Xu, X, Zheng, H, Joachimiak, A, Edwards, A.M, Savchenko, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2008-10-16 | | 公開日 | 2008-12-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure and mechanism of a new family of prokaryotic nucleoside diphosphatases.
To be Published
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6GGG
 | | Mineralocorticoid receptor in complex with (s)-13 | | 分子名称: | 2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, CHLORIDE ION, Mineralocorticoid receptor, ... | | 著者 | Edman, K, Aagaard, A, Tangefjord, S. | | 登録日 | 2018-05-03 | | 公開日 | 2019-01-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
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8QXN
 | | Cryo-EM structure of tetrameric human SAMHD1 State IV - Depleted relaxed | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | 著者 | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | 登録日 | 2023-10-24 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | | 主引用文献 | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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8QXK
 | | Cryo-EM structure of tetrameric human SAMHD1 State I - Tense | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | 著者 | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | 登録日 | 2023-10-24 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.66 Å) | | 主引用文献 | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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8QXO
 | | Cryo-EM structure of tetrameric human SAMHD1 State V - Depleted relaxed | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | 著者 | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | 登録日 | 2023-10-24 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.43 Å) | | 主引用文献 | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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8QXL
 | | Cryo-EM structure of tetrameric human SAMHD1 State II - Hemi-relaxed | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ... | | 著者 | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | 登録日 | 2023-10-24 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (2.82 Å) | | 主引用文献 | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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8QXM
 | | Cryo-EM structure of tetrameric human SAMHD1 State III - Relaxed | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | 著者 | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | 登録日 | 2023-10-24 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | | 主引用文献 | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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8QXJ
 | | Cryo-EM structure of tetrameric human SAMHD1 with dApNHpp | | 分子名称: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | | 著者 | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | 登録日 | 2023-10-24 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.65 Å) | | 主引用文献 | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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8U6B
 | | 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
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8U6P
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)-N,N-dimethylpropanamide (JLJ754), a non-nucleoside inhibitor | | 分子名称: | 3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Prucha, G, 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 (2.81 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6Q
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 8-(2-(3-oxo-3-(pyrrolidin-1-yl)propoxy)phenoxy)indolizine-2-carbonitrile (JLJ755), a non-nucleoside inhibitor | | 分子名称: | (4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT | | 著者 | Prucha, G, 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 (2.55 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6G
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-(2-(3-acryloyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethoxy)-4-chlorophenoxy)-5-chlorobenzonitrile (JLJ744), a non-nucleoside inhibitor | | 分子名称: | 3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | | 著者 | Prucha, G, Carter, Z, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2023-09-13 | | 公開日 | 2023-11-08 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6E
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenethyl)-N-methylacrylamide (JLJ738), a non-nucleoside inhibitor | | 分子名称: | MAGNESIUM ION, N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, ... | | 著者 | Prucha, G, 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 (2.31 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6I
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)ethyl)-N-methylacrylamide (JLJ745), a non-nucleoside inhibitor | | 分子名称: | MAGNESIUM ION, N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide, Reverse transcriptase/ribonuclease H, ... | | 著者 | Prucha, G, 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 (2.46 Å) | | 主引用文献 | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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