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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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BU of 8p2y by Molmil
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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BU of 8p30 by Molmil
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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BU of 8p31 by Molmil
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
8P3C
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BU of 8p3c by Molmil
Full length structure of BpMIP with bound inhibitor NJS227.
分子名称: (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
登録日2023-05-17
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural dynamics of macrophage infectivity potentiator proteins (MIPs) are differentially modulated by inhibitors and appendage domains
To Be Published
8P3D
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BU of 8p3d by Molmil
Full length structure of TcMIP with bound inhibitor NJS224.
分子名称: (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-(pyridin-3-ylmethylamino)pentan-2-yl]piperidine-2-carboxamide, SODIUM ION, peptidylprolyl isomerase
著者Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
登録日2023-05-17
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural dynamics of macrophage infectivity potentiator proteins (MIPs) are differentially modulated by inhibitors and appendage domains
To Be Published
8P42
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BU of 8p42 by Molmil
Full length structure of TcMIP with bound inhibitor NJS227.
分子名称: (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide, DI(HYDROXYETHYL)ETHER, Macrophage infectivity potentiator
著者Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
登録日2023-05-19
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural dynamics of macrophage infectivity potentiator proteins (MIPs) are differentially modulated by inhibitors and appendage domains
To Be Published
8P43
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BU of 8p43 by Molmil
Structure of the MHC class Ib molecule Qa-1b in complex with Q001 peptide
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, Qa-1b, ...
著者Sala, B.M, Achour, A.
登録日2023-05-19
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献MHC-E is a convergent checkpoint ligand for LILRB1 on macrophages and during inflammation for NKG2A on lymphocytes
To Be Published
8P8M
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BU of 8p8m by Molmil
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
8POQ
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BU of 8poq by Molmil
Crystal structure of wolbachia leucyl-tRNA synthetase editing domain
分子名称: Leucine--tRNA ligase
著者Palencia, A, Lukarska, M.
登録日2023-07-05
公開日2024-06-12
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Targeting A Microbiota Wolbachian Aminoacyl-tRNA Synthetase To Block Its Pathogenic Host
Science Advances, 2024
8POR
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BU of 8por by Molmil
Crystal structure of wolbachia leucyl-tRNA synthetase editing domain bound to cmpd6-AMP adduct
分子名称: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Leucine--tRNA ligase, ...
著者Palencia, A, Lukarska, M.
登録日2023-07-05
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Targeting A Microbiota Wolbachian Aminoacyl-tRNA Synthetase To Block Its Pathogenic Host
Science Advances, 2024
8POS
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BU of 8pos by Molmil
Crystal structure of wolbachia leucyl-tRNA synthetase editing domain bound to cmpd9-AMP adduct
分子名称: Leucine--tRNA ligase, SULFATE ION, [(1R,3'S,5S,6R,8R)-3'-(aminomethyl)-8-(6-aminopurin-9-yl)-4'-bromanyl-7'-[3-[methyl-(phenylmethyl)amino]propoxy]spiro[2,4,7-trioxa-3$l^{4}-borabicyclo[3.3.0]octane-3,1'-3H-2,1$l^{4}-benzoxaborole]-6-yl]methyl dihydrogen phosphate
著者Palencia, A, Hoffmann, G.
登録日2023-07-05
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.137 Å)
主引用文献Targeting A Microbiota Wolbachian Aminoacyl-tRNA Synthetase To Block Its Pathogenic Host
Science Advances, 2024
8POT
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BU of 8pot by Molmil
Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole cmpd9 in the editing conformation
分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, [(1R,3'S,5S,6R,8R)-3'-(aminomethyl)-8-(6-aminopurin-9-yl)-4'-bromanyl-7'-[3-[methyl-(phenylmethyl)amino]propoxy]spiro[2,4,7-trioxa-3$l^{4}-borabicyclo[3.3.0]octane-3,1'-3H-2,1$l^{4}-benzoxaborole]-6-yl]methyl dihydrogen phosphate, ...
著者Palencia, A, Hoffmann, G.
登録日2023-07-05
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.149 Å)
主引用文献Targeting A Microbiota Wolbachian Aminoacyl-tRNA Synthetase To Block Its Pathogenic Host
Science Advances, 2024
8PPQ
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BU of 8ppq by Molmil
Tick-borne encephalitis virus Kuutsalo-14 prM3E3 trimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Protein prM
著者Anastasina, M, Domanska, A, Pulkkinen, L.I.A, Butcher, S.J.
登録日2023-07-07
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Tick-borne encephalitis virus Kuutsalo-14 prM3E3 trimer
To Be Published
4W97
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BU of 4w97 by Molmil
Structure of ketosteroid transcriptional regulator KstR2 of Mycobacterium tuberculosis
分子名称: CHLORIDE ION, HTH-type transcriptional repressor KstR2, S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-[(3aS,4S,7aS)-7a-methyl-1,5-bis(oxidanylidene)-2,3,3a,4,6,7-hexahydroinden-4-yl]propanethioate
著者Stogios, P.J, Evdokimova, E, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-08-27
公開日2014-11-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Functional Characterization of a Ketosteroid Transcriptional Regulator of Mycobacterium tuberculosis.
J.Biol.Chem., 290, 2015
7O0L
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Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ADO_AC_093)
分子名称: 4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-26
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
J.Med.Chem., 64, 2021
1F2P
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BU of 1f2p by Molmil
CRYSTAL STRUCTURE OF THE STREPTOMYCES GRISEUS AMINOPEPTIDASE COMPLEXED WITH L-PHENYLALANINE
分子名称: AMINOPEPTIDASE, CALCIUM ION, PHENYLALANINE, ...
著者Gilboa, R, Spungin-Bialik, A, Wohlfahrt, G, Schomburg, D, Blumberg, S, Shoham, G.
登録日2000-05-28
公開日2001-08-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interactions of Streptomyces griseus aminopeptidase with amino acid reaction products and their implications toward a catalytic mechanism.
Proteins, 44, 2001
1F71
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BU of 1f71 by Molmil
REFINED SOLUTION STRUCTURE OF CALMODULIN C-TERMINAL DOMAIN
分子名称: CALMODULIN
著者Chou, J, Li, S, Bax, A.
登録日2000-06-24
公開日2000-09-22
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Study of conformational rearrangement and refinement of structural homology models by the use of heteronuclear dipolar couplings.
J.Biomol.NMR, 18, 2000
1F70
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BU of 1f70 by Molmil
REFINED SOLUTION STRUCTURE OF CALMODULIN N-TERMINAL DOMAIN
分子名称: CALMODULIN
著者Chou, J, Li, S, Bax, A.
登録日2000-06-24
公開日2000-09-22
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Study of conformational rearrangement and refinement of structural homology models by the use of heteronuclear dipolar couplings.
J.Biomol.NMR, 18, 2000
7O1B
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BU of 7o1b by Molmil
Human phosphomannomutase 2 (PMM2) wild-type co-crystallized with the activator glucose 1,6-bisphosphate
分子名称: 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, MAGNESIUM ION, ...
著者Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V.
登録日2021-03-29
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022
7O4G
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BU of 7o4g by Molmil
Human phosphomannomutase 2 (PMM2) wild-type soaked with the activator glucose 1,6-bisphosphate
分子名称: 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V.
登録日2021-04-06
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022
7O0C
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Human phosphomannomutase 2 (PMM2) wild-type in apo state
分子名称: CHLORIDE ION, MAGNESIUM ION, Phosphomannomutase 2, ...
著者Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V.
登録日2021-03-26
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022
7O5Z
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Human phosphomannomutase 2 (PMM2) with mutation T237M in apo state
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V.
登録日2021-04-09
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022

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