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4W63
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TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-BENZOFURAN HYBRID INHIBITOR
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, Acetylcholinesterase, ...
著者Pesaresi, A, Samez, S, Lamba, D.
登録日2014-08-20
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Novel Tacrine-Benzofuran Hybrids as Potent Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and X-ray Crystallography.
J.Med.Chem., 59, 2016
8P2W
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Structure of human SIT1 (focussed map / refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Sodium- and chloride-dependent transporter XTRP3
著者Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
登録日2023-05-16
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.76 Å)
主引用文献Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2
TO BE CONFIRMED
8P2X
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Structure of human SIT1:ACE2 complex (open PD conformation)
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
登録日2023-05-16
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2
To be published
8P2Y
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Structure of human SIT1:ACE2 complex (closed PD conformation)
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
登録日2023-05-16
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2
To be published
8P2Z
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Structure of human SIT1 bound to L-pipecolate (focussed map / refinement)
分子名称: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
登録日2023-05-16
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2
TO BE CONFIRMED
8P30
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Structure of human SIT1:ACE2 complex (open PD conformation) bound to L-pipecolate
分子名称: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
登録日2023-05-16
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2
TO BE CONFIRMED
8P31
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Structure of human SIT1:ACE2 complex (closed PD conformation) bound to L-pipecolate
分子名称: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
登録日2023-05-16
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2
To Be Published
8P4W
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Lactobacillus plantarum LpdD mutant - H35A
分子名称: PHOSPHATE ION, Protein LpdD
著者Gahloth, D, Leys, D.
登録日2023-05-23
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Gallate decarboxylase subunit D, LpdD
To Be Published
8OUO
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Human TPC2 in Complex with Antagonist (S)-SG-094
分子名称: (1S)-6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ...
著者Chi, G, Pike, A.C.W, Maclean, E.M, Li, H, Mukhopadhyay, S.M.M, Bohstedt, T, Wang, D, McKinley, G, Fernandez-Cid, A, Duerr, K.
登録日2023-04-24
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for inhibition of the lysosomal two-pore channel TPC2 by a small molecule antagonist.
Structure, 2024
4V0I
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Water Network Determines Selectivity for a Series of Pyrimidone Indoline Amide PI3KBeta Inhibitors over PI3K-Delta
分子名称: 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM
著者Robinson, D, Bertrand, T, Carry, J.C, Halley, F, Karlsson, A, Mathieu, M, Minoux, H, Perrin, M.A, Robert, B, Schio, L, Sherman, W.
登録日2014-09-16
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Differential Water Thermodynamics Determine Pi3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications.
J.Chem.Inf.Model., 56, 2016
4V1N
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Architecture of the RNA polymerase II-Mediator core transcription initiation complex
分子名称: DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB2, ...
著者Plaschka, C, Lariviere, L, Wenzeck, L, Hemann, M, Tegunov, D, Petrotchenko, E.V, Borchers, C.H, Baumeister, W, Herzog, F, Villa, E, Cramer, P.
登録日2014-09-29
公開日2015-02-04
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献Architecture of the RNA Polymerase II-Mediator Core Initiation Complex.
Nature, 518, 2015
4V4Z
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70S Thermus thermophilous ribosome functional complex with mRNA and E- and P-site tRNAs at 4.5A.
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Jenner, L, Yusupova, G, Rees, B, Moras, D, Yusupov, M.
登録日2006-06-27
公開日2014-07-09
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (4.51 Å)
主引用文献Structural basis for messenger RNA movement on the ribosome.
Nature, 444, 2006
4V5D
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Structure of the Thermus thermophilus 70S ribosome in complex with mRNA, paromomycin, acylated A- and P-site tRNAs, and E-site tRNA.
分子名称: 16S ribosomal RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Voorhees, R.M, Weixlbaumer, A, Loakes, D, Kelley, A.C, Ramakrishnan, V.
登録日2009-03-24
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Insights into substrate stabilization from snapshots of the peptidyl transferase center of the intact 70S ribosome.
Nat. Struct. Mol. Biol., 16, 2009
4V6T
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Structure of the bacterial ribosome complexed by tmRNA-SmpB and EF-G during translocation and MLD-loading
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Ramrath, D.J.F, Yamamoto, H, Rother, K, Wittek, D, Pech, M, Mielke, T, Loerke, J, Scheerer, P, Ivanov, P, Teraoka, Y, Shpanchenko, O, Nierhaus, K.H, Spahn, C.M.T.
登録日2012-01-27
公開日2014-07-09
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (8.3 Å)
主引用文献The complex of tmRNA-SmpB and EF-G on translocating ribosomes.
Nature, 485, 2012
4UWL
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Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
分子名称: (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION
著者Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
登録日2014-08-12
公開日2014-11-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4W6V
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Crystal structure of a peptide transporter from Yersinia enterocolitica at 3 A resolution
分子名称: Di-/tripeptide transporter
著者Jeckelmann, J.-M, Boggavarapu, R, Harder, D, Ucurum, Z, Fotiadis, D.
登録日2014-08-21
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.01819 Å)
主引用文献Role of electrostatic interactions for ligand recognition and specificity of peptide transporters.
Bmc Biol., 13, 2015
3CD8
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X-ray Structure of c-Met with triazolopyridazine Inhibitor.
分子名称: 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline, Hepatocyte growth factor receptor
著者Bellon, S.F, Albrecht, B.K, Harmange, J.-C, Bauer, D, Choquette, D, Dussault, I.
登録日2008-02-26
公開日2008-04-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase.
J.Med.Chem., 51, 2008
8P7E
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Crystal structure of the lipase SpL from Sphingomonas sp. HXN-200 in complex with benzylamine
分子名称: BENZYLAMINE, Lipase
著者Mokos, D, Gruber, K, Daniel, B.
登録日2023-05-30
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Amide formation of (hetero)aromatic esters and primary amines in buffer catalyzed by serine hydrolases: An Asp next to Ser of the catalytic triad of serine hydrolases is crucial for activity
To Be Published
8P8F
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Crystal structure of the lipase SpL from Sphingomonas sp. HXN-200 in complex with N-benzyl-picolinamide
分子名称: Lipase, ~{N}-(phenylmethyl)pyridine-2-carboxamide
著者Mokos, D, Gruber, K, Daniel, B.
登録日2023-06-01
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Amide formation of (hetero)aromatic esters and primary amines in buffer catalyzed by serine hydrolases: An Asp next to Ser of the catalytic triad of serine hydrolases is crucial for activity
To Be Published
8P8M
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Yeast 60S ribosomal subunit, RPL39 deletion
分子名称: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Rabl, J, Banerjee, A, Boehringer, D, Zavolan, M.
登録日2023-06-01
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Yeast 60S ribosomal subunit, RPL39 deletion
To Be Published
8P8N
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Mouse RPL39 integrated into the yeast 60S ribosomal subunit
分子名称: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Rabl, J, Banerjee, A, Boehringer, D, Zavolan, M.
登録日2023-06-02
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (2.15 Å)
主引用文献Yeast 60S ribosomal subunit, RPL39 deletion
To Be Published
8P8U
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Yeast 60S ribosomal subunit
分子名称: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Rabl, J, Banerjee, A, Boehringer, D, Zavolan, M.
登録日2023-06-02
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (2.23 Å)
主引用文献Yeast 60S ribosomal subunit
To Be Published
8T2J
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Structure of the catalytic domain of PPM1D/Wip1 serine/threonine phosphatase
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, MAGNESIUM ION, ...
著者Kumar, J.P, Kosek, D, Dyda, F.
登録日2023-06-06
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the catalytic domain of PPM1D/Wip1 serine/threonine phosphatase
To Be Published
7O8H
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NmHR light state structure at 10 ns after photoexcitation determined by serial femtosecond crystallography (with extrapolated, dark and light dataset)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ...
著者Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
登録日2021-04-15
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7O8F
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NmHR dark state structure determined by serial femtosecond crystallography
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ...
著者Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
登録日2021-04-15
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022

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