7MFH
 
 | | Crystal structure of BIO-32546 bound mouse Autotaxin | | 分子名称: | (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Chodaparambil, J.V. | | 登録日 | 2021-04-09 | | 公開日 | 2022-04-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546.
Acs Med.Chem.Lett., 12, 2021
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6LRT
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8E5R
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0150610 Complex | | 分子名称: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein, [4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)-3-nitrophenyl]methanol | | 著者 | Taylor, A.B, Alwan, S.N. | | 登録日 | 2022-08-22 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Oxamniquine derivatives overcome Praziquantel treatment limitations for Schistosomiasis.
Plos Pathog., 19, 2023
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6UPX
 | | RNA polymerase II elongation complex with 5-guanidinohydantoin lesion in state 1 | | 分子名称: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | 著者 | Oh, J, Wang, D. | | 登録日 | 2019-10-18 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | RNA polymerase II stalls on oxidative DNA damage via a torsion-latch mechanism involving lone pair-pi and CH-pi interactions.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6ZYT
 | | Monomeric streptavidin with a conjugated biotinylated pyrrolidine | | 分子名称: | 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide, SULFATE ION, Streptavidin/Rhizavidin Hybrid | | 著者 | Nodling, A.R, Lipka-Lloyd, M, Tsai, Y.H, Rizkallah, P, Luk, L.Y.P, Jin, Y. | | 登録日 | 2020-08-03 | | 公開日 | 2021-08-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The role of streptavidin and its variants in catalysis by biotinylated secondary amines.
Org.Biomol.Chem., 19, 2021
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6P4K
 | | mouse norovirus complexed with TCA | | 分子名称: | Capsid protein, TAUROCHOLIC ACID | | 著者 | Smith, T.J. | | 登録日 | 2019-05-27 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Bile Salts Alter the Mouse Norovirus Capsid Conformation: Possible Implications for Cell Attachment and Immune Evasion.
J.Virol., 93, 2019
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8DQ7
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6ZZ9
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6UQF
 | | Human HCN1 channel in a hyperpolarized conformation | | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, MERCURY (II) ION, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | | 著者 | Lee, C.-H, MacKinnon, R. | | 登録日 | 2019-10-19 | | 公開日 | 2019-12-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | | 主引用文献 | Voltage Sensor Movements during Hyperpolarization in the HCN Channel.
Cell, 179, 2019
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6M3U
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7MFS
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7MCJ
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6ZZ4
 | | Crystal structure of the PTPN2 C216G mutant | | 分子名称: | PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 2 | | 著者 | Mechaly, A.E, Berthelet, J, Nian, Q, Parlato, M, Cerf-Bensussan, N, Haouz, A, Rodrigues-Lima, F. | | 登録日 | 2020-08-03 | | 公開日 | 2021-08-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Structural characterization of a pathogenic mutant of human protein tyrosine phosphatase PTPN2 (Cys216Gly) that causes very early onset autoimmune enteropathy.
Protein Sci., 31, 2022
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6P4U
 | | The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with Mg and AMP | | 分子名称: | ACETATE ION, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | | 著者 | Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2019-05-28 | | 公開日 | 2019-06-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
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8DSB
 | | Lambda Bacteriophage Orf63 | | 分子名称: | Xis (Excision72) | | 著者 | Donaldson, L.W. | | 登録日 | 2022-07-22 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Bad Phages in Good Bacteria: Role of the Mysterious orf63 of lambda and Shiga Toxin-Converting Phi 24 B Bacteriophages.
Front Microbiol, 8, 2017
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6LWQ
 | | Crystal structure of human NEIL1(R242) bound to duplex DNA containing a C:T mismatch | | 分子名称: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*TP*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1 | | 著者 | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | | 登録日 | 2020-02-07 | | 公開日 | 2021-06-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
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6USP
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7MEV
 | | Human Apex/Ref1 monomer with C138A mutation | | 分子名称: | DNA-(apurinic or apyrimidinic site) endonuclease, mitochondrial, GLYCEROL, ... | | 著者 | Nam, Y.W, Yang, S. | | 登録日 | 2021-04-07 | | 公開日 | 2022-04-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The Development of Novel Apurinic/Aprymidinic Endonuclease/Redox-factor 1 Inhibitors for the Treatment of Human Melanoma
To Be Published
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6ZZJ
 | | Crystal structure of the catalytic domain of Corynebacterium glutamicum acetyltransferase AceF (E2p) in complex with oxidized CoA. | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, OXIDIZED COENZYME A | | 著者 | Bruch, E.M, Lexa-Sapart, N, Bellinzoni, M. | | 登録日 | 2020-08-04 | | 公開日 | 2021-08-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Actinobacteria challenge the paradigm: A unique protein architecture for a well-known, central metabolic complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8DQA
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6USZ
 | | Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Vigers, G.P, Smith, D.J. | | 登録日 | 2019-10-28 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
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6LWR
 | | Crystal structure of human NEIL1(K242) bound to duplex DNA containing a cleaved C:T mismatch | | 分子名称: | DNA (5'-D(*CP*GP*TP*CP*CP*(PDA))-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1 | | 著者 | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | | 登録日 | 2020-02-07 | | 公開日 | 2021-06-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
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6P5B
 | | Crystal Structure of MavC in Complex with Ub-UbE2N | | 分子名称: | MavC, Ubiquitin, Ubiquitin-conjugating enzyme E2 N | | 著者 | Puvar, K, Iyer, S, Negron Teron, K.I, Das, C. | | 登録日 | 2019-05-30 | | 公開日 | 2020-05-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | | 主引用文献 | Legionella effector MavC targets the Ube2N~Ub conjugate for noncanonical ubiquitination.
Nat Commun, 11, 2020
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6M60
 | | Plumbagin in complex with CRM1#-Ran-RanBP1 | | 分子名称: | (2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Sun, Q, Lei, Y. | | 登録日 | 2020-03-12 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
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6P5P
 | | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Anti-Tumor Agent | | 分子名称: | 2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one, Rho-associated protein kinase 2 | | 著者 | Hoffman, I.D, Skene, R.J. | | 登録日 | 2019-05-30 | | 公開日 | 2020-01-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 Inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Antitumor Agent.
J.Med.Chem., 63, 2020
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