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6OQR
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E. coli ATP Synthase ADP State 1a
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
著者Stewart, A.G, Walshe, J.L, Sobti, M.
登録日2019-04-29
公開日2020-06-03
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
6OCO
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HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 6
分子名称: 4-[(1S,4S)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Lesburg, C.A, Augustin, M.A.
登録日2019-03-25
公開日2019-12-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6OQU
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E. coli ATP synthase State 1d
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
著者Stewart, A.G, Sobti, M, Walshe, J.L.
登録日2019-04-29
公開日2020-06-03
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
6O5B
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Monomer of a cation channel
分子名称: CALCIUM ION, Calcium uniporter protein, mitochondrial, ...
著者Wang, Y, Bai, X, Jiang, Y.
登録日2019-03-01
公開日2019-05-22
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural Mechanism of EMRE-Dependent Gating of the Human Mitochondrial Calcium Uniporter.
Cell, 177, 2019
6OAQ
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Crystal structure of a dual sensor histidine kinase in BeF3- bound state
分子名称: BERYLLIUM TRIFLUORIDE ION, Dual sensor histidine kinase, MAGNESIUM ION, ...
著者Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y.
登録日2019-03-18
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structural basis of molecular logic OR in a dual-sensor histidine kinase.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OB8
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Crystal structure of a dual sensor histidine kinase in green light illuminated state
分子名称: Dual sensor histidine kinase, MAGNESIUM ION, PHYCOCYANOBILIN
著者Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y.
登録日2019-03-19
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of molecular logic OR in a dual-sensor histidine kinase.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OCK
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Crystal Structure of Leporine Serum Albumin in Complex with Ketoprofen
分子名称: (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid, ...
著者Zielinski, K, Sekula, B, Bujacz, A, Bujacz, G.
登録日2019-03-24
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural investigations of stereoselective profen binding by equine and leporine serum albumins.
Chirality, 32, 2020
6OQW
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E. coli ATP synthase State 3a
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
著者Stewart, A.G, Sobti, M, Walshe, J.L.
登録日2019-04-29
公開日2020-06-24
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
6OQS
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E. coli ATP synthase State 1b
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
著者Stewart, A.G, Sobti, M, Walshe, J.L.
登録日2019-04-29
公開日2020-06-03
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
6OQT
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E. coli ATP synthase State 1c
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
著者Stewart, A.G, Sobti, M, Walshe, J.L.
登録日2019-04-29
公開日2020-06-03
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
6OL9
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Structure of the M5 muscarinic acetylcholine receptor (M5-T4L) bound to tiotropium
分子名称: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
著者Vuckovic, Z, Christopoulos, A, Thal, D.M.
登録日2019-04-16
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.541 Å)
主引用文献Crystal structure of the M5muscarinic acetylcholine receptor.
Proc.Natl.Acad.Sci.USA, 116, 2019
6P11
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Structure of spastin AAA domain (T692A mutant) in complex with JNJ-7706621 inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Drosophila melanogaster Spastin AAA domain, ...
著者Pisa, R, Cupido, T, Kapoor, T.M.
登録日2019-05-17
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Analyzing Resistance to Design Selective Chemical Inhibitors for AAA Proteins.
Cell Chem Biol, 26, 2019
6P6G
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Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
著者Elkins, P.A, Wang, L.
登録日2019-06-03
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6PCR
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BU of 6pcr by Molmil
E. coli 50S ribosome bound to compound 40o
分子名称: (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2019-06-18
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6P10
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Structure of spastin AAA domain (N527C mutant) in complex with JNJ-7706621 inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Drosophila melanogaster Spastin AAA domain, ...
著者Pisa, R, Cupido, T, Kapoor, T.M.
登録日2019-05-17
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Analyzing Resistance to Design Selective Chemical Inhibitors for AAA Proteins.
Cell Chem Biol, 26, 2019
6P6K
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Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
著者Elkins, P.A, Wang, L.
登録日2019-06-04
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6PC5
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E. coli 50S ribosome bound to compounds 46 and VS1
分子名称: (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2019-06-16
公開日2020-06-17
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6PNN
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Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(N-(2-methoxyethyl)-N-methylsulfamoyl)phenyl)acetamide
分子名称: 2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
著者Oakley, A.J.
登録日2019-07-02
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
6PCS
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E. coli 50S ribosome bound to compound 40e
分子名称: (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl [4-(trifluoromethyl)phenyl]carbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2019-06-18
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6OZB
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Crystal structure of the phycoerythrobilin-bound GAF domain from a cyanobacterial phytochrome
分子名称: PHYCOERYTHROBILIN, Two-component sensor histidine kinase
著者Heewhan, S, Xiaoli, Z, Yafang, S, Zhong, R, Wolfgang, G, Kai, H.Z, Xiaojing, Y.
登録日2019-05-15
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The interplay between chromophore and protein determines the extended excited state dynamics in a single-domain phytochrome.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PCQ
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E. coli 50S ribosome bound to VM2
分子名称: (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2019-06-18
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6PFJ
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Structure of S. venezuelae RsiG-WhiG-(ci-di-GMP) complex, P64 crystal form
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), AmfC protein, RNA polymerase sigma factor
著者Schumacher, M.A.
登録日2019-06-21
公開日2019-11-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献c-di-GMP Arms an Anti-sigma to Control Progression of Multicellular Differentiation in Streptomyces.
Mol.Cell, 77, 2020
6PCT
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E. coli 50S ribosome bound to compound 41q
分子名称: (2S)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2019-06-18
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6PC6
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E. coli 50S ribosome bound to compound 47
分子名称: (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2019-06-16
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6PNM
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BU of 6pnm by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(morpholinosulfonyl)phenyl)acetamide
分子名称: 2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
著者Oakley, A.J.
登録日2019-07-02
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020

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