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5IND
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BU of 5ind by Molmil
Crystal structure of HLA-B5801, a protective HLA allele for HIV-1 infection
分子名称: Beta-2-microglobulin, GLN-ALA-SER-GLN-ASP-VAL-LYS-ASN-TRP, HLA class I histocompatibility antigen, ...
著者Li, X, Wang, J.-H.
登録日2016-03-07
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.132 Å)
主引用文献Crystal structure of HLA-B*5801, a protective HLA allele for HIV-1 infection.
Protein Cell, 7, 2016
5INC
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BU of 5inc by Molmil
Crystal structure of HLA-B5801, a protective HLA allele for HIV-1 infection
分子名称: Beta-2-microglobulin, GLN-ALA-THR-GLN-GLU-VAL-LYS-ASN-TRP, HLA class I histocompatibility antigen, ...
著者Li, X, Wang, J.-H.
登録日2016-03-07
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.881 Å)
主引用文献Crystal structure of HLA-B*5801, a protective HLA allele for HIV-1 infection.
Protein Cell, 7, 2016
7JI2
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BU of 7ji2 by Molmil
Crystal Structure of H2-Kb in complex with a OVA mutant peptide
分子名称: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
著者Li, X, Mallis, R.J, Mizsei, R, Tan, K, Reinherz, E.L, Wang, J.
登録日2020-07-22
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pre-T cell receptors topologically sample self-ligands during thymocyte beta-selection.
Science, 371, 2021
7JV9
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BU of 7jv9 by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with compound 12
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, 6-chloro-N-[(2-chlorophenyl)methyl]-1-[5-O-(phosphonomethyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ...
著者Gibbons, P, Du, X.
登録日2020-08-20
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production.
J.Med.Chem., 63, 2020
7JV8
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BU of 7jv8 by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with compound 35
分子名称: 5'-nucleotidase, 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, ...
著者Gibbons, P, Du, X.
登録日2020-08-20
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production.
J.Med.Chem., 63, 2020
5ZXE
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BU of 5zxe by Molmil
Structure of a consensus sequence derived from the FGF family
分子名称: CHLORIDE ION, Consensus sequence based basic form of fibroblast growth factor, GLYCEROL, ...
著者Tripathi, S.K, Mandalaparthy, V, Ramaswamy, S, Gosavi, S.
登録日2018-05-19
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of a consensus sequence derived from the FGF family
To be published
2ES3
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BU of 2es3 by Molmil
Crystal Structure of Thrombospondin-1 N-terminal Domain in P1 Form at 1.85A Resolution
分子名称: Thrombospondin-1
著者Tan, K, Wang, J, Lawler, J.
登録日2005-10-25
公開日2006-10-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Heparin-induced cis- and trans-Dimerization Modes of the Thrombospondin-1 N-terminal Domain.
J.Biol.Chem., 283, 2008
2PV6
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BU of 2pv6 by Molmil
HIV-1 gp41 Membrane Proximal Ectodomain Region peptide in DPC micelle
分子名称: Envelope glycoprotein
著者Sun, Z.-Y.J, Oh, K.J, Kim, M, Reinherz, E.L, Wagner, G.
登録日2007-05-09
公開日2008-03-18
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献HIV-1 broadly neutralizing antibody extracts its epitope from a kinked gp41 ectodomain region on the viral membrane
Immunity, 28, 2008
5ZEW
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BU of 5zew by Molmil
A ubiquitin-like protein from the hyperthermophilic archaea Caldiarchaeum subterraneum
分子名称: Ubiquitin-like protein
著者Mi, J, Ye, K.Q.
登録日2018-02-28
公開日2019-02-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The hydrophobic effect and electrostatic interactions contribute to the thermostability of the ubiquitin-like protein from the hyperthermophilic archaea Caldiarchaeum subterraneum
To Be Published
8VTU
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BU of 8vtu by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with macrolone MCX-66, mRNA, aminoacylated A-site Phe-tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.40A resolution
分子名称: 1-cyclopropyl-7-[(4-{[3-({(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-14-[({3-[5-(methylcarbamoyl)pyridin-3-yl]prop-2-yn-1-yl}oxy)imino]-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl}oxy)-3-oxopropyl]amino}butyl)amino]-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ...
著者Aleksandrova, E.V, Ma, C.-X, Klepacki, D, Alizadeh, F, Vazquez-Laslop, N, Liang, J.-H, Polikanov, Y.S, Mankin, A.S.
登録日2024-01-27
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms.
Nat.Chem.Biol., 2024
8VTY
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BU of 8vty by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with ciprofloxacin and protein Y at 2.60A resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, 16S Ribosomal RNA, ...
著者Aleksandrova, E.V, Ma, C.-X, Klepacki, D, Alizadeh, F, Vazquez-Laslop, N, Liang, J.-H, Polikanov, Y.S, Mankin, A.S.
登録日2024-01-27
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms.
Nat.Chem.Biol., 2024
8VTX
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BU of 8vtx by Molmil
Crystal structure of the A2058-N6-dimethylated Thermus thermophilus 70S ribosome in complex with macrolone MCX-128, mRNA, aminoacylated A-site Phe-tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.40A resolution
分子名称: 1-cyclopropyl-7-(4-{4-[({[(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-14-(methoxyimino)-3a,7,9,11,13,15-hexamethyl-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl]oxy}carbonyl)amino]butyl}piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ...
著者Aleksandrova, E.V, Ma, C.-X, Klepacki, D, Alizadeh, F, Vazquez-Laslop, N, Liang, J.-H, Polikanov, Y.S, Mankin, A.S.
登録日2024-01-27
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms.
Nat.Chem.Biol., 2024
8VTV
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BU of 8vtv by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with macrolone MCX-91, mRNA, aminoacylated A-site Phe-tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.55A resolution
分子名称: 1-cyclopropyl-7-{7-[({[(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-14-(methoxyimino)-3a,7,9,11,13,15-hexamethyl-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl]oxy}carbonyl)amino]hept-1-yn-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ...
著者Aleksandrova, E.V, Ma, C.-X, Klepacki, D, Alizadeh, F, Vazquez-Laslop, N, Liang, J.-H, Polikanov, Y.S, Mankin, A.S.
登録日2024-01-27
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms.
Nat.Chem.Biol., 2024
8VTW
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BU of 8vtw by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with macrolone MCX-128 and protein Y at 2.35A resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-cyclopropyl-7-(4-{4-[({[(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-14-(methoxyimino)-3a,7,9,11,13,15-hexamethyl-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl]oxy}carbonyl)amino]butyl}piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name), 16S Ribosomal RNA, ...
著者Aleksandrova, E.V, Ma, C.-X, Klepacki, D, Alizadeh, F, Vazquez-Laslop, N, Liang, J.-H, Polikanov, Y.S, Mankin, A.S.
登録日2024-01-27
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms.
Nat.Chem.Biol., 2024
4N5M
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BU of 4n5m by Molmil
Crystal structure of (R)-3-hydroxybutyryl-CoA dehydrogenase from Ralstonia eutropha in complexed with acetoacetyl-CoA
分子名称: ACETOACETYL-COENZYME A, Acetoacetyl-CoA reductase, GLYCEROL
著者Kim, J.-E, Kim, S, Kim, K.-J.
登録日2013-10-10
公開日2013-12-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Crystal structure of (R)-3-hydroxybutyryl-CoA dehydrogenase PhaB from Ralstonia eutropha
Biochem.Biophys.Res.Commun., 443, 2014
5ZOR
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BU of 5zor by Molmil
Solution structure of centrin4 from Trypanosoma brucei
分子名称: Centrin, putative
著者Shan, F.Z, Tu, X.M.
登録日2018-04-15
公開日2019-03-13
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of TbCentrin4 fromTrypanosoma bruceiand its interactions with Ca2+and other centrins.
Biochem. J., 475, 2018
4N5L
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BU of 4n5l by Molmil
Crystal structure of (R)-3-hydroxybutyryl-CoA dehydrogenase from Ralstonia eutropha
分子名称: Acetoacetyl-CoA reductase
著者Kim, J.-E, Kim, S, Kim, K.-J.
登録日2013-10-10
公開日2013-12-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of (R)-3-hydroxybutyryl-CoA dehydrogenase PhaB from Ralstonia eutropha
Biochem.Biophys.Res.Commun., 443, 2014
6M3T
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BU of 6m3t by Molmil
Crystal structure of the mouse endonuclease EndoG(H138A/C110A), space group P41212
分子名称: Endonuclease G, mitochondrial, MAGNESIUM ION
著者Park, K.H, Woo, E.J.
登録日2020-03-04
公開日2020-08-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Crystal structure of the mouse endonuclease G.
Biochem.Biophys.Res.Commun., 526, 2020
6LYF
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BU of 6lyf by Molmil
Crystal structure of the mouse endonuclease EndoG(H138A/Se-Met)
分子名称: Endonuclease G, mitochondrial, MAGNESIUM ION
著者Park, K.H, Woo, E.J.
登録日2020-02-14
公開日2020-08-12
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the mouse endonuclease G.
Biochem.Biophys.Res.Commun., 526, 2020
6M3F
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BU of 6m3f by Molmil
Crystal structure of the mouse endonuclease EndoG(H138A/C110A), space group P212121
分子名称: Endonuclease G, mitochondrial, MAGNESIUM ION
著者Park, K.H, Woo, E.J.
登録日2020-03-03
公開日2020-08-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure of the mouse endonuclease G.
Biochem.Biophys.Res.Commun., 526, 2020
4N5N
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BU of 4n5n by Molmil
Crystal structure of (R)-3-hydroxybutyryl-CoA dehydrogenase from Ralstonia eutropha in complexed with NADP
分子名称: Acetoacetyl-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Kim, J.-E, Kim, S, Kim, K.-J.
登録日2013-10-10
公開日2013-12-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of (R)-3-hydroxybutyryl-CoA dehydrogenase PhaB from Ralstonia eutropha
Biochem.Biophys.Res.Commun., 443, 2014
4KF7
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BU of 4kf7 by Molmil
Nup188(aa1-1160) from Myceliophthora thermophila
分子名称: Nup188
著者Schwartz, T.U, Andersen, K.R.
登録日2013-04-26
公開日2013-06-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Scaffold nucleoporins Nup188 and Nup192 share structural and functional properties with nuclear transport receptors.
Elife, 2, 2013
4KF8
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BU of 4kf8 by Molmil
Nup188(aa1445-1827) from Myceliophthora thermophila
分子名称: Nup188
著者Schwartz, T.U, Andersen, K.R.
登録日2013-04-26
公開日2013-06-19
最終更新日2013-08-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Scaffold nucleoporins Nup188 and Nup192 share structural and functional properties with nuclear transport receptors.
Elife, 2, 2013
3SP8
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BU of 3sp8 by Molmil
Crystal structure of NK2 in complex with fractionated Heparin DP10
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Recacha, R, Mulloy, B, Gherardi, E.
登録日2011-07-01
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structure of NK2 in complex with fractionated Heparin DP10
TO BE PUBLISHED
4FXY
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BU of 4fxy by Molmil
Crystal structure of rat neurolysin with bound pyrazolidin inhibitor
分子名称: 1-{(2S)-1-[(3R)-3-(2-chlorophenyl)-2-(2-fluorophenyl)pyrazolidin-1-yl]-1-oxopropan-2-yl}-3-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]urea, Neurolysin, mitochondrial, ...
著者Rodgers, D.W, Hines, C.S.
登録日2012-07-03
公開日2013-11-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Allosteric inhibition of the neuropeptidase neurolysin.
J.Biol.Chem., 289, 2014

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