7M80
 
 | | Human DNA Pol eta with dA-ended primer and dATP: in crystallo reaction for 100 s | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | | 著者 | Gregory, M.T, Gao, Y, Yang, W. | | 登録日 | 2021-03-29 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7M86
 | | Human DNA Pol eta S113A with dA-ended primer and dATP: in crystallo reaction for 140 s | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | | 著者 | Gregory, M.T, Gao, Y, Yang, W. | | 登録日 | 2021-03-29 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7M8C
 | | Human DNA Pol eta S113A with rA-ended primer and dATP: in crystallo reaction for 230 s | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | | 著者 | Gregory, M.T, Gao, Y, Yang, W. | | 登録日 | 2021-03-29 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7MBR
 | | Cryo-EM structure of zebrafish TRPM5 in the presence of 6 uM calcium (apo state) | | 分子名称: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Ruan, Z, Lu, W, Du, J, Haley, E. | | 登録日 | 2021-04-01 | | 公開日 | 2021-07-07 | | 最終更新日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY | | 主引用文献 | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
|
|
7MBS
 | | Cryo-EM structure of zebrafish TRPM5 in the presence of 6 uM calcium (open state) | | 分子名称: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Ruan, Z, Lu, W, Du, J, Haley, E. | | 登録日 | 2021-04-01 | | 公開日 | 2021-07-07 | | 最終更新日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY | | 主引用文献 | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
|
|
7MBT
 | | Cryo-EM structure of zebrafish TRPM5 E337A mutant in the presence of 5 mM calcium (low calcium occupancy in the transmembrane domain) | | 分子名称: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Ruan, Z, Lu, W, Du, J, Haley, E. | | 登録日 | 2021-04-01 | | 公開日 | 2021-07-07 | | 最終更新日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY | | 主引用文献 | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
|
|
7MBQ
 | | Cryo-EM structure of zebrafish TRPM5 in the presence of 5 mM calcium | | 分子名称: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Ruan, Z, Lu, W, Du, J, Haley, E. | | 登録日 | 2021-04-01 | | 公開日 | 2021-07-07 | | 最終更新日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | | 主引用文献 | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
|
|
7MBU
 | | Cryo-EM structure of zebrafish TRPM5 E337A mutant in the presence of 5 mM calcium (high calcium occupancy in the transmembrane domain) | | 分子名称: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Ruan, Z, Lu, W, Du, J, Haley, E. | | 登録日 | 2021-04-01 | | 公開日 | 2021-07-07 | | 最終更新日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY | | 主引用文献 | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
|
|
7MBV
 | | Cryo-EM structure of zebrafish TRPM5 in the presence of 5 mM calcium and 0.5 mM NDNA | | 分子名称: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Ruan, Z, Lu, W, Du, J, Haley, E. | | 登録日 | 2021-04-01 | | 公開日 | 2021-07-07 | | 最終更新日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
|
|
7MOY
 | | Structure of HDAC2 in complex with an inhibitor (compound 19) | | 分子名称: | (1S)-6-ethyl-N-{(1S)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Klein, D.J, Yu, W. | | 登録日 | 2021-05-03 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 47, 2021
|
|
7MOT
 | | Structure of HDAC2 in complex with an inhibitor (compound 9) | | 分子名称: | 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Klein, D.J, Yu, W. | | 登録日 | 2021-05-03 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 47, 2021
|
|
7MOS
 | | Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 4) | | 分子名称: | (3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Klein, D.J, Yu, W. | | 登録日 | 2021-05-03 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.704 Å) | | 主引用文献 | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 47, 2021
|
|
7MOX
 | | Structure of HDAC2 in complex with an inhibitor (compound 14) | | 分子名称: | (1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Klein, D.J, Yu, W. | | 登録日 | 2021-05-03 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 47, 2021
|
|
7MOZ
 | | Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 25) | | 分子名称: | (1R,3S,6S,18R,27R)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name), CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Klein, D.J, Yu, W. | | 登録日 | 2021-05-03 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.543 Å) | | 主引用文献 | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 47, 2021
|
|
7MSY
 | | Structure of CalU17 from the Calicheamicin Biosynthesis Pathway of Micromonospora echinospora | | 分子名称: | CALCIUM ION, CHLORIDE ION, CalU17, ... | | 著者 | Kosgei, A.J, Miller, M.D, Xu, W, Van Lanen, S.G, Thorson, J.S, Phillips Jr, G.N. | | 登録日 | 2021-05-12 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | The crystal structure of DynF from the dynemicin-biosynthesis pathway of Micromonospora chersina.
Acta Crystallogr.,Sect.F, 78, 2022
|
|
7ML6
 | | Structure of CalU17 from the Calicheamicin Biosynthesis Pathway of Micromonospora echinospora | | 分子名称: | CalU17, GLYCEROL | | 著者 | Kosgei, A.J, Miller, M.D, Xu, W, Van Lanen, S.G, Thorson, J.S, Phillips Jr, G.N. | | 登録日 | 2021-04-27 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The crystal structure of DynF from the dynemicin-biosynthesis pathway of Micromonospora chersina.
Acta Crystallogr.,Sect.F, 78, 2022
|
|
7MDW
 | |
7MEJ
 | |
7ME7
 | |
7MMN
 | |
7MWX
 | | Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2 with tamarin CD81 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy Chain, ... | | 著者 | Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J. | | 登録日 | 2021-05-17 | | 公開日 | 2021-09-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.32 Å) | | 主引用文献 | Structural insights into hepatitis C virus receptor binding and entry.
Nature, 598, 2021
|
|
7MWS
 | | Crystal structure of tamarin CD81 large extracellular loop | | 分子名称: | CD81 protein, GLYCEROL, TETRAETHYLENE GLYCOL | | 著者 | Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J. | | 登録日 | 2021-05-17 | | 公開日 | 2021-09-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural insights into hepatitis C virus receptor binding and entry.
Nature, 598, 2021
|
|
7MWW
 | | Structure of hepatitis C virus envelope full-length glycoprotein 2 (eE2) from J6 genotype | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy chain, ... | | 著者 | Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J. | | 登録日 | 2021-05-17 | | 公開日 | 2021-09-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Structural insights into hepatitis C virus receptor binding and entry.
Nature, 598, 2021
|
|
7MBP
 | | Cryo-EM structure of zebrafish TRPM5 in the presence of 1 mM EDTA | | 分子名称: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Ruan, Z, Lu, W, Du, J, Haley, E. | | 登録日 | 2021-04-01 | | 公開日 | 2021-09-22 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
|
|
7AGA
 | | Structure of SARS-CoV-2 Main Protease bound to AT7519 | | 分子名称: | 3C-like proteinase, 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide, CHLORIDE ION, ... | | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Andaleeb, H, Werner, N, Falke, S, Hinrichs, W, Alves Franca, B, Schwinzer, M, Brognaro, H, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Boger, J, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-09-22 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
|
|
