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6PXR
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BU of 6pxr by Molmil
Anti-TAU BIIB092 FAB with TAU peptide
分子名称: Microtubule-associated protein tau, gosuranemab Fab, heavy chain, ...
著者Arndt, J.W, Quan, C.
登録日2019-07-26
公開日2020-07-29
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.556 Å)
主引用文献Characterization of tau binding by gosuranemab.
Neurobiol.Dis., 146, 2020
6QTJ
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BU of 6qtj by Molmil
Crystal structure of human CDK8/CYCC in complex with BI 919811
分子名称: Cyclin-C, Cyclin-dependent kinase 8, ~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide
著者Boettcher, J.
登録日2019-02-25
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance.
Mol.Cancer Ther., 19, 2020
6QTG
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BU of 6qtg by Molmil
Crystal structure of human CDK8/CYCC in complex with BI-1347
分子名称: 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide, Cyclin-C, Cyclin-dependent kinase 8
著者Boettcher, J.
登録日2019-02-25
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance.
Mol.Cancer Ther., 19, 2020
3PR0
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BU of 3pr0 by Molmil
Crystal Structure of a Covalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase
分子名称: 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Mileni, M, Han, G.W, Boger, D.L, Stevens, R.C.
登録日2010-11-29
公開日2011-11-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fluoride-mediated capture of a noncovalent bound state of a reversible covalent enzyme inhibitor: X-ray crystallographic analysis of an exceptionally potent alpha-ketoheterocycle inhibitor of fatty acid amide hydrolase.
J.Am.Chem.Soc., 133, 2011
3PPM
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BU of 3ppm by Molmil
Crystal Structure of a Noncovalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase
分子名称: 1-DODECANOL, 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one, CHLORIDE ION, ...
著者Mileni, M, Han, G.W, Boger, D.L, Stevens, R.C.
登録日2010-11-24
公開日2011-11-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Fluoride-mediated capture of a noncovalent bound state of a reversible covalent enzyme inhibitor: X-ray crystallographic analysis of an exceptionally potent alpha-ketoheterocycle inhibitor of fatty acid amide hydrolase.
J.Am.Chem.Soc., 133, 2011
6RBW
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BU of 6rbw by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 9-(4-azidobutyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RC6
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BU of 6rc6 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 3-[6-azanyl-9-[(2~{R})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6O4D
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BU of 6o4d by Molmil
Structure of ALDH7A1 mutant W175A complexed with L-pipecolic acid
分子名称: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, ...
著者Tanner, J.J, Korasick, D.A, Laciak, A.R.
登録日2019-02-28
公開日2019-07-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1.
Febs J., 287, 2020
6RBS
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BU of 6rbs by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 8-bromanyl-9-pent-4-ynyl-purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.324 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBZ
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BU of 6rbz by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 9-(3-azanylpropyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.318 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBP
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BU of 6rbp by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 9-(4-azidobutyl)purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.473 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6O4B
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BU of 6o4b by Molmil
Structure of ALDH7A1 mutant W175G complexed with NAD
分子名称: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ...
著者Tanner, J.J, Korasick, D.A, Laciak, A.R.
登録日2019-02-28
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1.
Febs J., 287, 2020
6RBY
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BU of 6rby by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.312 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6R4T
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BU of 6r4t by Molmil
Crystal structure of the Pri1 subunit of human primase bound to vidarabine triphosphate
分子名称: 1,2-ETHANEDIOL, 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine, DNA primase small subunit, ...
著者Kilkenny, M.L, Pellegrini, L.
登録日2019-03-24
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis for Inhibition of Human Primase by Arabinofuranosyl Nucleoside Analogues Fludarabine and Vidarabine.
Acs Chem.Biol., 14, 2019
6R4J
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BU of 6r4j by Molmil
Crystal structure of human GFAT-1 G451E in complex with UDP-GlcNAc
分子名称: GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1, ...
著者Ruegenberg, S, Horn, M, Pichlo, C, Allmeroth, K, Baumann, U, Denzel, M.S.
登録日2019-03-22
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Loss of GFAT-1 feedback regulation activates the hexosamine pathway that modulates protein homeostasis.
Nat Commun, 11, 2020
6R5E
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BU of 6r5e by Molmil
Crystal structure of the Pri1 subunit of human primase bound to 2F-ATP
分子名称: 1,2-ETHANEDIOL, 2-fluoro-ATP, DNA primase small subunit, ...
著者Kilkenny, M.L, Pellegrini, L.
登録日2019-03-24
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Basis for Inhibition of Human Primase by Arabinofuranosyl Nucleoside Analogues Fludarabine and Vidarabine.
Acs Chem.Biol., 14, 2019
6RB4
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BU of 6rb4 by Molmil
Crystal structure of the Pri1 subunit of human primase
分子名称: 1,2-ETHANEDIOL, DNA primase small subunit, ZINC ION
著者Kilkenny, M.L, Pellegrini, L.
登録日2019-04-09
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Basis for Inhibition of Human Primase by Arabinofuranosyl Nucleoside Analogues Fludarabine and Vidarabine.
Acs Chem.Biol., 14, 2019
6RBO
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BU of 6rbo by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 9-hex-5-ynylpurin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.941 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBV
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BU of 6rbv by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 9-(3-azidopropyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RC5
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BU of 6rc5 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 9-ethyl-8-ethynyl-purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.038 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6R4E
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BU of 6r4e by Molmil
Crystal structure of human GFAT-1 in complex with Glucose-6-Phosphate and L-Glu
分子名称: GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1
著者Ruegenberg, S, Horn, M, Pichlo, C, Allmeroth, K, Baumann, U, Denzel, M.S.
登録日2019-03-22
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.353 Å)
主引用文献Loss of GFAT-1 feedback regulation activates the hexosamine pathway that modulates protein homeostasis.
Nat Commun, 11, 2020
6R4I
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BU of 6r4i by Molmil
Crystal structure of human GFAT-1 G461E
分子名称: GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1
著者Ruegenberg, S, Horn, M, Pichlo, C, Allmeroth, K, Baumann, U, Denzel, M.S.
登録日2019-03-22
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.586 Å)
主引用文献Loss of GFAT-1 feedback regulation activates the hexosamine pathway that modulates protein homeostasis.
Nat Commun, 11, 2020
6RBR
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BU of 6rbr by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 8-bromanyl-9-ethyl-purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RC2
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BU of 6rc2 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
分子名称: 8-methyl-9-pent-4-ynyl-purin-6-amine, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-11
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.048 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6R4H
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BU of 6r4h by Molmil
Crystal structure of human GFAT-1 G451E
分子名称: GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1
著者Ruegenberg, S, Horn, M, Pichlo, C, Allmeroth, K, Baumann, U, Denzel, M.S.
登録日2019-03-22
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.244 Å)
主引用文献Loss of GFAT-1 feedback regulation activates the hexosamine pathway that modulates protein homeostasis.
Nat Commun, 11, 2020

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