8VE2
 
 | | Unliganded human transthyretin in the canonical conformation | | Descriptor: | Transthyretin | | Authors: | Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C. | | Deposit date: | 2023-12-18 | | Release date: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | 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 | | Descriptor: | (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 | | Authors: | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | | Deposit date: | 2019-07-04 | | Release date: | 2020-03-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.062 Å) | | Cite: | 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 | | Descriptor: | 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 | | Authors: | Jang, J.Y, Han, B.W. | | Deposit date: | 2018-10-11 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | 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 | | Descriptor: | 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 | | Authors: | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | | Deposit date: | 2019-07-04 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.659 Å) | | Cite: | 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 | | Descriptor: | Non-structural protein 11, SULFATE ION | | Authors: | Plewka, J, Lis, K, Chykunova, Y, Czarna, A, Kantyka, T, Pyrc, K. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-17 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (3.002 Å) | | Cite: | 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 | | Descriptor: | 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid, Transthyretin | | Authors: | Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C. | | Deposit date: | 2023-12-18 | | Release date: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | The conformational landscape of human transthyretin revealed by cryo-EM
To Be Published
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6RSF
 | | NMR structure of pleurocidin KR in SDS micelles | | Descriptor: | Pleurocidin | | Authors: | Manzo, G, Mason, A.J. | | Deposit date: | 2019-05-21 | | Release date: | 2020-12-09 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | A pleurocidin analogue with greater conformational flexibility, enhanced antimicrobial potency and in vivo therapeutic efficacy.
Commun Biol, 3, 2020
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8W42
 | | X-ray crystal structure of V30M-TTR in complex with resveratrol | | Descriptor: | RESVERATROL, SODIUM ION, Transthyretin | | Authors: | Yokoyama, T. | | Deposit date: | 2023-08-23 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
J.Med.Chem., 66, 2023
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6IM8
 | | CueO-PM2 multicopper oxidase | | Descriptor: | Blue copper oxidase CueO,PM2 peptide,Blue copper oxidase CueO | | Authors: | Wongsantichon, J, Robinson, R, Ghadessy, F. | | Deposit date: | 2018-10-22 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | 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 | | Descriptor: | (5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-ol, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | | Authors: | Akai, S, Orita, T, Nomura, A, Adachi, T. | | Deposit date: | 2024-05-22 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | 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 | | Descriptor: | 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID, Transthyretin | | Authors: | Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C. | | Deposit date: | 2023-12-18 | | Release date: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | 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 | | Descriptor: | Bifunctional guanosine pentaphosphate synthetase/polyribonucleotide nucleotidyltransferase, RNA (24-mer) | | Authors: | Wang, N, Sheng, Y.N. | | Deposit date: | 2023-10-27 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | 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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3EDY
 | | Crystal Structure of the Precursor Form of Human Tripeptidyl-Peptidase 1 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Guhaniyogi, J, Sohar, I, Das, K, Lobel, P, Stock, A.M. | | Deposit date: | 2008-09-03 | | Release date: | 2008-11-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 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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6I8T
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6S7A
 | | Crystal structure of CARM1 in complex with inhibitor AA175 | | Descriptor: | (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 | | Authors: | Gunnell, E.A, Al-Noori, A, Dowden, J, Dreveny, I. | | Deposit date: | 2019-07-04 | | Release date: | 2020-03-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | 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 | | Descriptor: | (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, ... | | Authors: | Gloster, T.M, McMahon, S.A, Oehler, V. | | Deposit date: | 2018-11-15 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | New Irreversible alpha-l-Iduronidase Inhibitors and Activity-Based Probes.
Chemistry, 24, 2018
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6S4T
 | | LXRbeta ligand binding domain in comlpex with small molecule inhibitors | | Descriptor: | 2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid, Oxysterols receptor LXR-beta | | Authors: | Sandmark, J, Jansson, A. | | Deposit date: | 2019-06-28 | | Release date: | 2019-11-27 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural analysis identifies an escape route from the adverse lipogenic effects of liver X receptor ligands.
Commun Biol, 2, 2019
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2V7J
 | | PrnB L-tryptophan complex | | Descriptor: | PRNB, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | Authors: | Naismith, J.H. | | Deposit date: | 2007-07-30 | | Release date: | 2007-08-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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 | | Descriptor: | Adenosine receptor A2a, CAFFEINE | | Authors: | 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. | | Deposit date: | 2011-04-06 | | Release date: | 2011-09-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.598 Å) | | Cite: | 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 | | Descriptor: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | | Authors: | 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. | | Deposit date: | 2019-07-07 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 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 | | Descriptor: | (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 | | Authors: | Steven, K, Reno, M, Alberti, J, Price, D, Kane-Carson, L, Knick, V, Shewchuk, L, Hassell, A, Veal, J, Peel, M. | | Deposit date: | 2008-09-15 | | Release date: | 2008-10-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | 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 | | Descriptor: | 6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | Authors: | Ritschel, T, Heine, A, Klebe, G. | | Deposit date: | 2008-09-29 | | Release date: | 2009-09-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | 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
 | | LXRbeta ligand binding domain in complex with small molecule inhibitors | | Descriptor: | 3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione, Oxysterols receptor LXR-beta | | Authors: | Petersen, J. | | Deposit date: | 2019-07-01 | | Release date: | 2019-12-18 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural analysis identifies an escape route from the adverse lipogenic effects of liver X receptor ligands.
Commun Biol, 2, 2019
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3R9C
 | | Crystal structure of Mycobacterium smegmatis CYP164A2 with Econazole bound | | Descriptor: | 1,2-ETHANEDIOL, 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, Cytochrome P450 164A2, ... | | Authors: | Agnew, C.R.J, Kelly, S.L, Brady, R.L. | | Deposit date: | 2011-03-25 | | Release date: | 2012-03-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | 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 | | Descriptor: | 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 | | Authors: | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | | Deposit date: | 2019-07-04 | | Release date: | 2020-03-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
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