8VE2
 
 | | Unliganded human transthyretin in the canonical conformation | | 分子名称: | Transthyretin | | 著者 | Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C. | | 登録日 | 2023-12-18 | | 公開日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | The conformational landscape of human transthyretin revealed by cryo-EM
To Be Published
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6S71
 | | Crystal structure of CARM1 in complex with inhibitor WH5C | | 分子名称: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1 | | 著者 | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | | 登録日 | 2019-07-04 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.062 Å) | | 主引用文献 | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
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6IJR
 | | Human PPARgamma ligand binding domain complexed with SB1495 | | 分子名称: | 16 mer peptide from Nuclear receptor coactivator 1, N-{[3-({[(1S,2R)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide, Peroxisome proliferator-activated receptor gamma | | 著者 | Jang, J.Y, Han, B.W. | | 登録日 | 2018-10-11 | | 公開日 | 2019-10-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structural basis for the inhibitory effects of a novel reversible covalent ligand on PPAR gamma phosphorylation.
Sci Rep, 9, 2019
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6S7B
 | | Crystal structure of CARM1 in complex with inhibitor UM249 | | 分子名称: | 1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine, Histone-arginine methyltransferase CARM1 | | 著者 | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | | 登録日 | 2019-07-04 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.659 Å) | | 主引用文献 | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
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9EWO
 | | Mpro from SARS-CoV-2 with R4A R298A double mutations | | 分子名称: | Non-structural protein 11, SULFATE ION | | 著者 | Plewka, J, Lis, K, Chykunova, Y, Czarna, A, Kantyka, T, Pyrc, K. | | 登録日 | 2024-04-04 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (3.002 Å) | | 主引用文献 | SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
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8VE1
 | | Human transthyretin covalently modified with A2-derived stilbene in the canonical conformation | | 分子名称: | 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid, Transthyretin | | 著者 | Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C. | | 登録日 | 2023-12-18 | | 公開日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | The conformational landscape of human transthyretin revealed by cryo-EM
To Be Published
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6RSF
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8W42
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6IM8
 | | CueO-PM2 multicopper oxidase | | 分子名称: | Blue copper oxidase CueO,PM2 peptide,Blue copper oxidase CueO | | 著者 | Wongsantichon, J, Robinson, R, Ghadessy, F. | | 登録日 | 2018-10-22 | | 公開日 | 2019-03-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | | 主引用文献 | Development and structural characterization of an engineered multi-copper oxidase reporter of protein-protein interactions.
J.Biol.Chem., 294, 2019
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8ZM1
 | | Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 6 | | 分子名称: | (5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-ol, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | | 著者 | Akai, S, Orita, T, Nomura, A, Adachi, T. | | 登録日 | 2024-05-22 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Design and synthesis of novel fluorene derivatives as inhibitors of pyruvate dehydrogenase kinase.
Bioorg.Med.Chem.Lett., 109, 2024
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8VE5
 | | (Biarylamine-FT2-WT)1(C10A)3-human transthyretin in the compressed conformation | | 分子名称: | 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID, Transthyretin | | 著者 | Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C. | | 登録日 | 2023-12-18 | | 公開日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | The conformational landscape of human transthyretin revealed by cryo-EM
To Be Published
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8WX0
 | | PNPase of M.tuberculosis with its RNA substrate | | 分子名称: | Bifunctional guanosine pentaphosphate synthetase/polyribonucleotide nucleotidyltransferase, RNA (24-mer) | | 著者 | Wang, N, Sheng, Y.N. | | 登録日 | 2023-10-27 | | 公開日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Cryo-EM structures of Mycobacterium tuberculosis polynucleotide phosphorylase suggest a potential mechanism for its RNA substrate degradation.
Arch.Biochem.Biophys., 754, 2024
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6I8T
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3EDY
 | | Crystal Structure of the Precursor Form of Human Tripeptidyl-Peptidase 1 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Guhaniyogi, J, Sohar, I, Das, K, Lobel, P, Stock, A.M. | | 登録日 | 2008-09-03 | | 公開日 | 2008-11-18 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal Structure and Autoactivation Pathway of the Precursor Form of Human Tripeptidyl-peptidase 1, the Enzyme Deficient in Late Infantile Ceroid Lipofuscinosis
J.Biol.Chem., 284, 2009
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6S7A
 | | Crystal structure of CARM1 in complex with inhibitor AA175 | | 分子名称: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol, GLYCEROL, Histone-arginine methyltransferase CARM1 | | 著者 | Gunnell, E.A, Al-Noori, A, Dowden, J, Dreveny, I. | | 登録日 | 2019-07-04 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
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6I6X
 | | New Irreversible a-l-Iduronidase Inhibitors and Activity-Based Probes | | 分子名称: | (1~{R},2~{R},3~{R},4~{S},5~{S},6~{R})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid, 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 | Gloster, T.M, McMahon, S.A, Oehler, V. | | 登録日 | 2018-11-15 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | New Irreversible alpha-l-Iduronidase Inhibitors and Activity-Based Probes.
Chemistry, 24, 2018
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6S4T
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2V7J
 | | PrnB L-tryptophan complex | | 分子名称: | PRNB, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | 著者 | Naismith, J.H. | | 登録日 | 2007-07-30 | | 公開日 | 2007-08-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily
Biochemistry, 46, 2007
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3RFM
 | | Thermostabilised adenosine A2A receptor in complex with caffeine | | 分子名称: | Adenosine receptor A2a, CAFFEINE | | 著者 | Dore, A.S, Robertson, N, Errey, J.C, Ng, I, Hollenstein, K, Tehan, B, Hurrell, E, Bennett, K, Congreve, M, Magnani, F, Tate, C.G, Weir, M, Marshall, F.H. | | 登録日 | 2011-04-06 | | 公開日 | 2011-09-07 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3.598 Å) | | 主引用文献 | Structure of the adenosine A(2A) receptor in complex with ZM241385 and the xanthines XAC and caffeine
Structure, 19, 2011
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6S7Z
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | | 分子名称: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | | 著者 | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | | 登録日 | 2019-07-07 | | 公開日 | 2019-09-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
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3EID
 | | CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor | | 分子名称: | (2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol, Cell division protein kinase 2, Cyclin-A2 | | 著者 | Steven, K, Reno, M, Alberti, J, Price, D, Kane-Carson, L, Knick, V, Shewchuk, L, Hassell, A, Veal, J, Peel, M. | | 登録日 | 2008-09-15 | | 公開日 | 2008-10-21 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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3EOU
 | | tRNA-guanine transglycosylase in complex with 6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | 分子名称: | 6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | 著者 | Ritschel, T, Heine, A, Klebe, G. | | 登録日 | 2008-09-29 | | 公開日 | 2009-09-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | How to Replace the Residual Solvation Shell of Polar Active Site Residues to Achieve Nanomolar Inhibition of tRNA-Guanine Transglycosylase
Chemmedchem, 4, 2009
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6S5K
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3R9C
 | | Crystal structure of Mycobacterium smegmatis CYP164A2 with Econazole bound | | 分子名称: | 1,2-ETHANEDIOL, 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, Cytochrome P450 164A2, ... | | 著者 | Agnew, C.R.J, Kelly, S.L, Brady, R.L. | | 登録日 | 2011-03-25 | | 公開日 | 2012-03-28 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | An enlarged, adaptable active site in CYP164 family P450 enzymes, the sole P450 in Mycobacterium leprae.
Antimicrob.Agents Chemother., 56, 2012
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6S70
 | | Crystal structure of CARM1 in complex with inhibitor UM251 | | 分子名称: | 1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine, GLYCEROL, Histone-arginine methyltransferase CARM1 | | 著者 | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | | 登録日 | 2019-07-04 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
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