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5G06
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BU of 5g06 by Molmil
Cryo-EM structure of yeast cytoplasmic exosome
分子名称: EXOSOME COMPLEX COMPONENT CSL4, EXOSOME COMPLEX COMPONENT MTR3, EXOSOME COMPLEX COMPONENT RRP4, ...
著者Liu, J.J, Niu, C.Y, Wu, Y, Tan, D, Wang, Y, Ye, M.D, Liu, Y, Zhao, W.W, Zhou, K, Liu, Q.S, Dai, J.B, Yang, X.R, Dong, M.Q, Huang, N, Wang, H.W.
登録日2016-03-17
公開日2016-06-15
最終更新日2017-08-02
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryoem Structure of Yeast Cytoplasmic Exosome Complex.
Cell Res., 26, 2016
7YCS
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BU of 7ycs by Molmil
Heterotetramer of Antitoxin PrpA together with Toxin PrpT from Pseudoalteromonas rubra
分子名称: Antitoxin ParD, Toxin
著者Wang, C.C, Niu, L.W.
登録日2022-07-01
公開日2022-09-21
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural insights into the PrpTA toxin-antitoxin system in Pseudoalteromonas rubra.
Front Microbiol, 13, 2022
8W6V
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BU of 8w6v by Molmil
Structural basis of chorismate isomerization by Arabidopsis isochorismate synthase ICS1
分子名称: ACETATE ION, FORMIC ACID, Isochorismate synthase 1, ...
著者Su, Z.H, Ming, Z.H.
登録日2023-08-29
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of chorismate isomerization by Arabidopsis ISOCHORISMATE SYNTHASE1.
Plant Physiol., 2024
8W71
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BU of 8w71 by Molmil
Structural basis of chorismate isomerization by Arabidopsis isochorismate synthase ICS1
分子名称: (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, FORMIC ACID, Isochorismate synthase 1, ...
著者Su, Z.H, Ming, Z.H.
登録日2023-08-30
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.121 Å)
主引用文献Structural basis of chorismate isomerization by Arabidopsis ISOCHORISMATE SYNTHASE1.
Plant Physiol., 2024
3IT4
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BU of 3it4 by Molmil
The Crystal Structure of Ornithine Acetyltransferase from Mycobacterium tuberculosis (Rv1653) at 1.7 A
分子名称: ACETATE ION, Arginine biosynthesis bifunctional protein argJ alpha chain, Arginine biosynthesis bifunctional protein argJ beta chain, ...
著者Sankaranarayanan, R, Cherney, M.M, Garen, C, Garen, G, Yuan, M, James, M.N, TB Structural Genomics Consortium (TBSGC)
登録日2009-08-27
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The molecular structure of ornithine acetyltransferase from Mycobacterium tuberculosis bound to ornithine, a competitive inhibitor.
J.Mol.Biol., 397, 2010
3IT6
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The Crystal Structure of Ornithine Acetyltransferase complexed with Ornithine from Mycobacterium tuberculosis (Rv1653) at 2.4 A
分子名称: Arginine biosynthesis bifunctional protein argJ alpha chain, Arginine biosynthesis bifunctional protein argJ beta chain, L-ornithine
著者Sankaranarayanan, R, Cherney, M.M, Garen, C, Garen, G, Yuan, M, James, M.N, TB Structural Genomics Consortium (TBSGC)
登録日2009-08-27
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The molecular structure of ornithine acetyltransferase from Mycobacterium tuberculosis bound to ornithine, a competitive inhibitor.
J.Mol.Biol., 397, 2010
6WML
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BU of 6wml by Molmil
Human TLR8 bound to the potent agonist, GS-9688 (Selgantolimod)
分子名称: (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ...
著者Appleby, T.C, Perry, J.K, Mish, M, Villasenor, A.G, Mackman, R.L.
登録日2020-04-21
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of GS-9688 (Selgantolimod) as a Potent and Selective Oral Toll-Like Receptor 8 Agonist for the Treatment of Chronic Hepatitis B.
J.Med.Chem., 63, 2020
8IGN
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BU of 8ign by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with RAY1216
分子名称: (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
8IGO
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BU of 8igo by Molmil
Crystal structure of apo SARS-CoV-2 main protease
分子名称: 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
2I3A
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BU of 2i3a by Molmil
Crystal structure of N-Acetyl-gamma-Glutamyl-Phosphate Reductase (Rv1652) from Mycobacterium tuberculosis
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-gamma-glutamyl-phosphate reductase
著者Cherney, L.T, Cherney, M.M, Garen, C.R, Moraidin, F, James, M.N.G, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2006-08-17
公開日2006-08-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure of N-acetyl-gamma-glutamyl-phosphate Reductase from Mycobacterium tuberculosis in Complex with NADP(+).
J.Mol.Biol., 367, 2007
2I3G
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BU of 2i3g by Molmil
Crystal structure of N-Acetyl-gamma-Glutamyl-Phosphate Reductase (Rv1652) from Mycobacterium tuberculosis in complex with NADP+.
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-gamma-glutamyl-phosphate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cherney, L.T, Cherney, M.M, Garen, C.R, Moraidin, F, James, M.N.G, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB), TB Structural Genomics Consortium (TBSGC)
登録日2006-08-18
公開日2006-09-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of N-acetyl-gamma-glutamyl-phosphate Reductase from Mycobacterium tuberculosis in Complex with NADP(+).
J.Mol.Biol., 367, 2007
2NQT
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BU of 2nqt by Molmil
Crystal structure of N-Acetyl-gamma-Glutamyl-Phosphate Reductase (Rv1652) from Mycobacterium tuberculosis at 1.58 A resolution
分子名称: N-acetyl-gamma-glutamyl-phosphate reductase
著者Cherney, L.T, Cherney, M.M, Garen, C.R, Moraidin, F, James, M.N.G, TB Structural Genomics Consortium (TBSGC)
登録日2006-10-31
公開日2006-11-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal Structure of N-acetyl-gamma-glutamyl-phosphate Reductase from Mycobacterium tuberculosis in Complex with NADP(+).
J.Mol.Biol., 367, 2007
7NB1
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BU of 7nb1 by Molmil
Crystal structure of human choline alpha in complex with an inhibitor
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(6-aminopurin-9-yl)-~{N}-[4-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide, Choline kinase alpha
著者Casale, E, Fasolini, M.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of unprecedented ATP-competitive choline kinase inhibitors.
Bioorg.Med.Chem.Lett., 51, 2021
7NB2
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Crystal structure of human choline alpha in complex with an inhibitor
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(6-azanyl-2-chloranyl-purin-9-yl)-~{N}-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide, Choline kinase alpha, ...
著者Casale, E, Fasolini, M.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of unprecedented ATP-competitive choline kinase inhibitors.
Bioorg.Med.Chem.Lett., 51, 2021
7NB3
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BU of 7nb3 by Molmil
Crystal structure of human choline alpha in complex with an inhibitor
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide, Choline kinase alpha, ...
著者Casale, E, Fasolini, M.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of unprecedented ATP-competitive choline kinase inhibitors.
Bioorg.Med.Chem.Lett., 51, 2021
7ZUN
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BU of 7zun by Molmil
Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone compound
分子名称: (4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol, Isoform 2 of Serine/threonine-protein kinase pim-1
著者Casale, E.
登録日2022-05-12
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Stereoselective synthesis of 3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one derivatives as PIM kinase inhibitors inspired from marine alkaloids.
Chirality, 34, 2022
6SML
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BU of 6sml by Molmil
Structure of the RagAB peptide importer in the 'open-open' state
分子名称: (1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE, GLY-THR-GLY-GLY-SER-THR-GLY-THR-THR-SER-ALA-GLY, Lipoprotein RagB, ...
著者White, J.B.R, Ranson, N.A, van den Berg, B.
登録日2019-08-22
公開日2020-05-20
最終更新日2020-08-05
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
6SM3
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Structure of the RagAB peptide importer in the 'closed-closed' state
分子名称: (1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE, GLY-GLY-ALA-THR-THR-ALA-THR-THR-THR-THR-SER-THR-SER, Lipoprotein RagB, ...
著者White, J.B.R, Ranson, N.A, van den Berg, B.
登録日2019-08-21
公開日2020-05-20
最終更新日2020-08-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
6SMQ
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Structure of the RagAB peptide importer in the 'open-closed' state
分子名称: (1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Lipoprotein RagB, ...
著者White, J.B.R, Ranson, N.A, van den Berg, B.
登録日2019-08-22
公開日2020-05-20
最終更新日2020-08-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
6SLJ
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BU of 6slj by Molmil
Structure of the RagAB peptide transporter
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ALA-SER-THR-THR-GLY-ALA-ASN-SER-GLN-ARG, ...
著者Madej, M, Ranson, N.A, White, J.B.R.
登録日2019-08-20
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
6SLI
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BU of 6sli by Molmil
Structure of the RagAB peptide transporter
分子名称: (1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ALA-SER-THR-THR-GLY-GLY-ASN-SER-GLN-ARG-GLY-SER-GLY, ...
著者Madej, M, Ranson, N.A, White, J.B.R.
登録日2019-08-19
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.38 Å)
主引用文献Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
6SLN
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Structure of the RagAB peptide transporter
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, ...
著者Madej, M, Ranson, N.A, White, J.B.R.
登録日2019-08-20
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
5A24
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Crystal structure of Dionain-1, the major endopeptidase in the Venus flytrap digestive juice
分子名称: DIONAIN-1, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, PHOSPHATE ION
著者Risor, M.W, Thomsen, L.R, Sanggaard, K.W, Nielsen, T.A, Thogersen, I.B, Lukassen, M.V, Rossen, L, Garcia-Ferrer, I, Guevara, T, Meinjohanns, E, Nielsen, N.C, Gomis-Ruth, F.X, Enghild, J.J.
登録日2015-05-12
公開日2015-12-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Enzymatic and Structural Characterization of the Major Endopeptidase in the Venus Flytrap Digestion Fluid.
J.Biol.Chem., 291, 2016
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