6SQE
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![BU of 6sqe by Molmil](/molmil-images/mine/6sqe) | Crystal structure of CREBBP bromodomain complexed with KD341 | Descriptor: | 1,2-ETHANEDIOL, CREB-binding protein, ~{N}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide | Authors: | Bedi, R.K, Kirillova, M, Nevado, C, Caflisch, A. | Deposit date: | 2019-09-03 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.506 Å) | Cite: | Crystal structure of CREBBP bromodomain complexed with KD341 To Be Published
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6SRD
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6SSS
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![BU of 6sss by Molmil](/molmil-images/mine/6sss) | Crystal structure of Human Microsomal Glutathione S-Transferase 2 | Descriptor: | 1-(8Z-hexadecenoyl)-sn-glycerol, GLYCEROL, Microsomal glutathione S-transferase 2, ... | Authors: | Thulasingam, M, Nji, E, Haeggstrom, J.Z. | Deposit date: | 2019-09-09 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.498 Å) | Cite: | Crystal structures of human MGST2 reveal synchronized conformational changes regulating catalysis. Nat Commun, 12, 2021
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6SUH
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![BU of 6suh by Molmil](/molmil-images/mine/6suh) | Crystal structure of human transthyretin in complex with 3-O-methyltolcapone, a tolcapone analogue | Descriptor: | 3-O-methyltolcapone, Transthyretin | Authors: | Loconte, V, Cianci, M, Menozzi, I, Sbravati, D, Sansone, F, Casnati, A, Berni, R. | Deposit date: | 2019-09-14 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Interactions of tolcapone analogues as stabilizers of the amyloidogenic protein transthyretin. Bioorg.Chem., 103, 2020
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1DEJ
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![BU of 1dej by Molmil](/molmil-images/mine/1dej) | CRYSTAL STRUCTURE OF A DICTYOSTELIUM/TETRAHYMENA CHIMERA ACTIN (MUTANT 646: Q228K/T229A/A230Y/A231K/S232E/E360H) IN COMPLEX WITH HUMAN GELSOLIN SEGMENT 1 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, CHIMERIC ACTIN, ... | Authors: | Matsuura, Y, Stewart, M, Kawamoto, M, Kamiya, N, Saeki, K, Yasunaga, T, Wakabayashi, T. | Deposit date: | 1999-11-15 | Release date: | 2000-03-01 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for the higher Ca(2+)-activation of the regulated actin-activated myosin ATPase observed with Dictyostelium/Tetrahymena actin chimeras. J.Mol.Biol., 296, 2000
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6SYE
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6SIO
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![BU of 6sio by Molmil](/molmil-images/mine/6sio) | Fragment AZ-017 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 5-methyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-08-10 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.60418 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6SJ6
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![BU of 6sj6 by Molmil](/molmil-images/mine/6sj6) | Cryo-EM structure of 50S-RsfS complex from Staphylococcus aureus | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Khusainov, I, Pellegrino, S, Yusupova, G, Yusupov, M, Fatkhullin, B. | Deposit date: | 2019-08-12 | Release date: | 2020-04-08 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Mechanism of ribosome shutdown by RsfS in Staphylococcus aureus revealed by integrative structural biology approach. Nat Commun, 11, 2020
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6SLO
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![BU of 6slo by Molmil](/molmil-images/mine/6slo) | Crystal structure of PUF60 UHM domain in complex with 7,8 dimethoxyperphenazine | Descriptor: | 2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol, MAGNESIUM ION, Thioredoxin,Poly(U)-binding-splicing factor PUF60 | Authors: | Jagtap, P.K.A, Kubelka, T, Bach, T, Sattler, M. | Deposit date: | 2019-08-20 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Identification of phenothiazine derivatives as UHM-binding inhibitors of early spliceosome assembly. Nat Commun, 11, 2020
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6SMA
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![BU of 6sma by Molmil](/molmil-images/mine/6sma) | Crystal structure of Human Neutrophil Elastase (HNE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC249 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid, ... | Authors: | Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M. | Deposit date: | 2019-08-21 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | 3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling. Acs Chem.Biol., 15, 2020
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6SLA
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![BU of 6sla by Molmil](/molmil-images/mine/6sla) | Crystal structure of isomerase PaaG mutant - D136N with Oxepin-CoA | Descriptor: | Enoyl-CoA hydratase/carnithine racemase, ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-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] 2-(2,5-dihydrooxepin-7-yl)ethanethioate | Authors: | Saleem-Batcha, R, Spieker, M, Teufel, R. | Deposit date: | 2019-08-19 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural and Mechanistic Basis of an Oxepin-CoA Forming Isomerase in Bacterial Primary and Secondary Metabolism. Acs Chem.Biol., 14, 2019
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6SLJ
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![BU of 6slj by Molmil](/molmil-images/mine/6slj) | Structure of the RagAB peptide transporter | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ALA-SER-THR-THR-GLY-ALA-ASN-SER-GLN-ARG, ... | Authors: | Madej, M, Ranson, N.A, White, J.B.R. | Deposit date: | 2019-08-20 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis. Nat Microbiol, 5, 2020
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6SP5
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![BU of 6sp5 by Molmil](/molmil-images/mine/6sp5) | Structure of hyperstable haloalkane dehalogenase variant DhaA115 | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Haloalkane dehalogenase, ... | Authors: | Chmelova, K, Markova, K, Damborsky, J, Marek, M. | Deposit date: | 2019-08-30 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst. Chem Sci, 11, 2020
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6SMR
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![BU of 6smr by Molmil](/molmil-images/mine/6smr) | A. thaliana serine hydroxymethyltransferase isoform 4 (AtSHMT4) in complex with methotrexate | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, METHOTREXATE, ... | Authors: | Ruszkowski, M, Sekula, B, Dauter, Z. | Deposit date: | 2019-08-22 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models. Sci Rep, 9, 2019
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6SPC
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![BU of 6spc by Molmil](/molmil-images/mine/6spc) | Pseudomonas aeruginosa 30s ribosome from an aminoglycoside resistant clinical isolate | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Halfon, Y, Jimenez-Fernande, A, La Ros, R, Espinos, R, Krogh Johansen, H, Matzov, D, Eyal, Z, Bashan, A, Zimmerman, E, Belousoff, M, Molin, S, Yonath, A. | Deposit date: | 2019-09-01 | Release date: | 2019-10-16 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Structure ofPseudomonas aeruginosaribosomes from an aminoglycoside-resistant clinical isolate. Proc.Natl.Acad.Sci.USA, 116, 2019
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6SPB
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![BU of 6spb by Molmil](/molmil-images/mine/6spb) | Pseudomonas aeruginosa 50s ribosome from a clinical isolate with a mutation in uL6 | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L11, 50S ribosomal protein L13, ... | Authors: | Halfon, Y, Jimenez-Fernande, A, La Ros, R, Espinos, R, Krogh Johansen, H, Matzov, D, Eyal, Z, Bashan, A, Zimmerman, E, Belousoff, M, Molin, S, Yonath, A. | Deposit date: | 2019-09-01 | Release date: | 2019-10-16 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (2.82 Å) | Cite: | Structure ofPseudomonas aeruginosaribosomes from an aminoglycoside-resistant clinical isolate. Proc.Natl.Acad.Sci.USA, 116, 2019
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1DCU
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![BU of 1dcu by Molmil](/molmil-images/mine/1dcu) | REDOX SIGNALING IN THE CHLOROPLAST: STRUCTURE OF OXIDIZED PEA FRUCTOSE-1,6-BISPHOSPHATE PHOSPHATASE | Descriptor: | FRUCTOSE-1,6-BISPHOSPHATASE | Authors: | Chiadmi, M, Navaza, A, Miginiac-Maslow, M, Jacquot, J.P, Cherfils, J. | Deposit date: | 1999-11-05 | Release date: | 1999-12-03 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Redox signalling in the chloroplast: structure of oxidized pea fructose-1,6-bisphosphate phosphatase. EMBO J., 18, 1999
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6ST4
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6STC
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6SSW
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6SWM
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![BU of 6swm by Molmil](/molmil-images/mine/6swm) | selenol bound carbonic anhydrase I | Descriptor: | (2~{R})-1-prop-2-enoxy-3-selanyl-propan-2-ol, Carbonic anhydrase 1, ZINC ION | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2019-09-22 | Release date: | 2020-10-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Selenols: a new class of carbonic anhydrase inhibitors. Chem.Commun.(Camb.), 55, 2019
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6SWX
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![BU of 6swx by Molmil](/molmil-images/mine/6swx) | Leishmania major methionyl-tRNA synthetase in complex with an allosteric inhibitor | Descriptor: | METHIONINE, Putative methionyl-tRNA synthetase, methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate | Authors: | Robinson, D.A, Torrie, L.S, Shepherd, S.M, De Rycker, M, Thomas, M.G, Wyatt, P.G. | Deposit date: | 2019-09-24 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of an Allosteric Binding Site in Kinetoplastid Methionyl-tRNA Synthetase. Acs Infect Dis., 6, 2020
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6SYG
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6SYS
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![BU of 6sys by Molmil](/molmil-images/mine/6sys) | Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2 | Descriptor: | (4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, GLYCEROL, ZINC ION, ... | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2019-10-01 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2 To Be Published
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6SVQ
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![BU of 6svq by Molmil](/molmil-images/mine/6svq) | Crystal structure of human GFAT-1 G461E after UDP-GlcNAc soaking | Descriptor: | GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate-aminotransferase [isomerizing] 1 | Authors: | Ruegenberg, S, Horn, M, Pichlo, C, Allmeroth, K, Baumann, U, Denzel, M.S. | Deposit date: | 2019-09-18 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.717 Å) | Cite: | Loss of GFAT-1 feedback regulation activates the hexosamine pathway that modulates protein homeostasis. Nat Commun, 11, 2020
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