5XIO
 
 | | Crystal Structure of Cryptosporidium parvum Prolyl-tRNA Synthetase (CpPRS) in complex with Halofuginone | | 分子名称: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Proline-tRNA synthetase class II aaRS (Ybak RNA binding domain plus tRNA synthetase), ... | | 著者 | Jain, V, Manickam, Y, Sharma, A. | | 登録日 | 2017-04-26 | | 公開日 | 2018-03-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
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5XIH
 | | Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with inhibitor 5 | | 分子名称: | 6,7-bis(fluoranyl)-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Jain, V, Manickam, Y, Sharma, A. | | 登録日 | 2017-04-26 | | 公開日 | 2018-03-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
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6L76
 | | Crystal structure of the Ni(II)(Chro)2-d(TTGGGCCGAA/TTCGGCCCAA) complex at 2.94 angstrom resolution | | 分子名称: | (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol, ... | | 著者 | Hou, M.H, Jhan, C.R, Satange, R.B, Lin, S.M. | | 登録日 | 2019-10-31 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | | 主引用文献 | Targeting the ALS/FTD-associated A-DNA kink with anthracene-based metal complex causes DNA backbone straightening and groove contraction.
Nucleic Acids Res., 49, 2021
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5XQZ
 | | Structure of the MOB1-NDR2 complex | | 分子名称: | GLYCEROL, MOB kinase activator 1A, Serine/threonine-protein kinase 38-like, ... | | 著者 | Wu, G, Lin, K. | | 登録日 | 2017-06-07 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Stable MOB1 interaction with Hippo/MST is not essential for development and tissue growth control.
Nat Commun, 8, 2017
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9B1Q
 | | Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PYN1 inhibitor | | 分子名称: | (5P)-1-[(imidazolidin-1-yl)methyl]-5-(1H-indol-3-yl)-1H-1,2,3-benzotriazole, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase, ... | | 著者 | Geeraerts, Z, Yeh, S.-R. | | 登録日 | 2024-03-13 | | 公開日 | 2024-08-21 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (2.624 Å) | | 主引用文献 | Structural Insights into Protein-Inhibitor Interactions in Human Tryptophan Dioxygenase.
J.Med.Chem., 67, 2024
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5XUU
 | | Crystal structure of Lachnospiraceae bacterium ND2006 Cpf1 in complex with crRNA and target DNA (TCCA PAM) | | 分子名称: | 1,2-ETHANEDIOL, DNA (29-MER), DNA (5'-D(*CP*GP*TP*CP*CP*TP*CP*CP*A)-3'), ... | | 著者 | Yamano, T, Nishimasu, H, Ishitani, R, Nureki, O. | | 登録日 | 2017-06-26 | | 公開日 | 2017-08-09 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural Basis for the Canonical and Non-canonical PAM Recognition by CRISPR-Cpf1.
Mol. Cell, 67, 2017
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5XWV
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5X7D
 | | Structure of beta2 adrenoceptor bound to carazolol and an intracellular allosteric antagonist | | 分子名称: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Liu, X, Ahn, S, Kahsai, A.W, Meng, K.-C, Latorraca, N.R, Pani, B, Venkatakrishnan, A.J, Masoudi, A, Weis, W.I, Dror, R.O, Chen, X, Lefkowitz, R.J, Kobilka, B.K. | | 登録日 | 2017-02-25 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.703 Å) | | 主引用文献 | Mechanism of intracellular allosteric beta 2AR antagonist revealed by X-ray crystal structure.
Nature, 548, 2017
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5Y20
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5Y8O
 | | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD + 3-Hydroxy propionate (3-HP) | | 分子名称: | (2~{S})-2-methylpentanedioic acid, 3-HYDROXY-PROPANOIC ACID, ACRYLIC ACID, ... | | 著者 | Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M. | | 登録日 | 2017-08-21 | | 公開日 | 2018-07-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Biochem. J., 475, 2018
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5Y4L
 | | PRRSV nsp4 | | 分子名称: | Non-structural protein | | 著者 | Shi, Y.J, Gang, Y, Peng, G.Q. | | 登録日 | 2017-08-04 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | | 主引用文献 | Identification of two antiviral inhibitors targeting 3C-like serine/3C-like protease of porcine reproductive and respiratory syndrome virus and porcine epidemic diarrhea virus.
Vet. Microbiol., 213, 2018
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5Y8I
 | | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + (S)-3-hydroxyisobutyrate (S-HIBA) | | 分子名称: | (2S)-2-methyl-3-oxidanyl-propanoic acid, (2~{S})-2-methylpentanedioic acid, GLYCEROL, ... | | 著者 | Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M. | | 登録日 | 2017-08-21 | | 公開日 | 2018-07-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Biochem. J., 475, 2018
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5Y8P
 | | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + 3-Hydroxy propionate (3-HP) | | 分子名称: | (2~{S})-2-methylpentanedioic acid, 3-HYDROXY-PROPANOIC ACID, ACRYLIC ACID, ... | | 著者 | Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M. | | 登録日 | 2017-08-21 | | 公開日 | 2018-07-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Biochem. J., 475, 2018
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5Y95
 | | Haddock model of mSIN3B PAH1 domain | | 分子名称: | Paired amphipathic helix protein Sin3b, propan-2-yl (3R,6S,9aS)-3-ethyl-8-(3-methylbutyl)-6-(2-methylsulfanylethyl)-4,7-bis(oxidanylidene)-9,9a-dihydro-6H-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylate | | 著者 | Kurita, J, Hirao, Y, Nishimura, Y. | | 登録日 | 2017-08-22 | | 公開日 | 2017-10-04 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A mimetic of the mSin3-binding helix of NRSF/REST ameliorates abnormal pain behavior in chronic pain models.
Bioorg. Med. Chem. Lett., 27, 2017
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5Y1F
 | | Monomeric L-threonine 3-dehydrogenase from metagenome database (NAD+ bound form) | | 分子名称: | NAD dependent epimerase/dehydratase family, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Motoyama, T, Nakano, S, Yamamoto, Y, Tokiwa, H, Asano, Y, Ito, S. | | 登録日 | 2017-07-20 | | 公開日 | 2017-11-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Product Release Mechanism Associated with Structural Changes in Monomeric l-Threonine 3-Dehydrogenase.
Biochemistry, 56, 2017
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5Y8K
 | | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + L-serine | | 分子名称: | (2~{S})-2-methylpentanedioic acid, ACRYLIC ACID, GLYCEROL, ... | | 著者 | Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M. | | 登録日 | 2017-08-21 | | 公開日 | 2018-07-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Biochem. J., 475, 2018
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5Y8M
 | | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD + (R)-3-hydroxyisobutyrate (R-HIBA) | | 分子名称: | (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID, (2~{S})-2-methylpentanedioic acid, ACRYLIC ACID, ... | | 著者 | Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M. | | 登録日 | 2017-08-21 | | 公開日 | 2018-07-11 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Biochem. J., 475, 2018
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5Y8G
 | | Mycobacterium tuberculosis 3-Hydroxyisobutyrate Dehydrogenase (MtHIBADH) | | 分子名称: | (2~{S})-2-methylpentanedioic acid, ACRYLIC ACID, GLYCEROL, ... | | 著者 | Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M. | | 登録日 | 2017-08-21 | | 公開日 | 2018-07-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Biochem. J., 475, 2018
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5Y1G
 | | Monomeric L-threonine 3-dehydrogenase from metagenome database (AKB and NADH bound form) | | 分子名称: | 2-AMINO-3-KETOBUTYRIC ACID, NAD dependent epimerase/dehydratase family, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Motoyama, T, Nakano, S, Yamamoto, Y, Tokiwa, H, Asano, Y, Ito, S. | | 登録日 | 2017-07-20 | | 公開日 | 2017-11-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Product Release Mechanism Associated with Structural Changes in Monomeric l-Threonine 3-Dehydrogenase.
Biochemistry, 56, 2017
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8EWO
 | | Crystal structure of putative glyoxylase II from Pseudomonas aeruginosa | | 分子名称: | CHLORIDE ION, GLYCEROL, PA1813, ... | | 著者 | Stogios, P.J, Skarina, T, Endres, M, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | | 登録日 | 2022-10-24 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Crystal structure of putative glyoxylase II from Pseudomonas aeruginosa
To Be Published
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8F09
 | | Crystal structure of a trimethoprim-resistant dihydrofolate reductase (DHFR) enzyme from an uncultured soil bacterium | | 分子名称: | Dihydrofolate reductase, SULFATE ION | | 著者 | Stogios, P.J, Evdokimova, D, Borek, D, Di Leo, R, Semper, C, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | | 登録日 | 2022-11-02 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Crystal structure of a trimethoprim-resistant dihydrofolate reductase (DHFR) enzyme from an uncultured soil bacterium
To Be Published
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7NKX
 | | RNA polymerase II-Spt4/5-nucleosome-Chd1 structure | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Chromatin elongation factor SPT4, ... | | 著者 | Farnung, L, Ochmann, M, Engeholm, M, Cramer, P. | | 登録日 | 2021-02-19 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structural basis of nucleosome transcription mediated by Chd1 and FACT.
Nat.Struct.Mol.Biol., 28, 2021
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4WWW
 | | Crystal structure of the E. coli ribosome bound to CEM-101 | | 分子名称: | (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 16S rRNA, 23S rRNA, ... | | 著者 | Dunkle, J.A, Zhang, W, Cate, J.H.D, Mankin, A.S. | | 登録日 | 2014-11-12 | | 公開日 | 2014-12-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Binding and action of CEM-101, a new fluoroketolide antibiotic that inhibits protein synthesis.
Antimicrob. Agents Chemother., 54, 2010
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8F2W
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8EZR
 | | Crystal structure of the HipS(Lp)-HipT(Lp) complex from Legionella pneumophila, native protein | | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, HipS(Lp), ... | | 著者 | Stogios, P.J, Skarina, T, Michalska, K, Di Leo, R, Lin, J, Ensminger, A, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2022-11-01 | | 公開日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal structure of the HipS(Lp)-HipT(Lp) complex from Legionella pneumophila, native protein
To Be Published
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