5MKA
 
 | | Maltodextrin binding protein MalE1 from L. casei BL23 bound to gamma-cyclodextrin | | 分子名称: | Cyclooctakis-(1-4)-(alpha-D-glucopyranose), MalE1 | | 著者 | Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E. | | 登録日 | 2016-12-02 | | 公開日 | 2017-07-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.149 Å) | | 主引用文献 | Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr.
Mol. Microbiol., 105, 2017
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6RPA
 | | Crystal structure of the T-cell receptor NYE_S2 bound to HLA A2*01-SLLMWITQV | | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | 著者 | Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S. | | 登録日 | 2019-05-14 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex.
J Immunol., 204, 2020
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4XYM
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8GHD
 | | The structure of h12-LOX in hexameric form bound to inhibitor ML355 and arachidonic acid | | 分子名称: | ARACHIDONIC ACID, FE (II) ION, N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide, ... | | 著者 | Black, K.A, Mobbs, J.I, Venugopal, H, Thal, D.M, Glukhova, A. | | 登録日 | 2023-03-09 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | | 主引用文献 | Cryo-EM structures of human arachidonate 12S-lipoxygenase bound to endogenous and exogenous inhibitors.
Blood, 142, 2023
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8GSS
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5FZG
 | | Crystal structure of the catalytic domain of human JARID1B in complex with MC3948 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | 著者 | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Srikannathasan, V, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U. | | 登録日 | 2016-03-14 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3948
To be Published
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4RG0
 | | Crystal structure of BTK kinase domain complexed with 2-[8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methyl-propanenitrile | | 分子名称: | 2-{8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl}-2-methylpropanenitrile, Tyrosine-protein kinase BTK | | 著者 | Kuglstatter, A, Wong, A. | | 登録日 | 2014-09-29 | | 公開日 | 2014-12-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Finding the perfect spot for fluorine: Improving potency up to 40-fold during a rational fluorine scan of a Bruton's Tyrosine Kinase (BTK) inhibitor scaffold.
Bioorg.Med.Chem.Lett., 25, 2015
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7MGT
 | | Ftp from Treponema pallidum bound to an ADP-like inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 2-chloroadenosine 5'-(trihydrogen diphosphate), FAD:protein FMN transferase, ... | | 著者 | Brautigam, C.A, Deka, R, Norgard, M.V. | | 登録日 | 2021-04-13 | | 公開日 | 2021-12-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Inhibition of bacterial FMN transferase: A potential avenue for countering antimicrobial resistance.
Protein Sci., 31, 2022
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6PBM
 | | Pseudopaline Dehydrogenase with NADP+ bound | | 分子名称: | 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pseudopaline Dehydrogenase | | 著者 | McFarlane, J.S, Lamb, A.L. | | 登録日 | 2019-06-14 | | 公開日 | 2019-10-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores.
J.Biol.Chem., 294, 2019
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5MR4
 | | Ligand-receptor complex. | | 分子名称: | DI(HYDROXYETHYL)ETHER, FORMIC ACID, GDNF family receptor alpha-2, ... | | 著者 | Sandmark, J, Oster, L, Aagaard, A, Roth, R.G, Dahl, G. | | 登録日 | 2016-12-21 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure and biophysical characterization of the human full-length neurturin-GFRa2 complex: A role for heparan sulfate in signaling.
J. Biol. Chem., 293, 2018
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8GHE
 | | The structure of h12-LOX in tetrameric form bound to endogenous inhibitor oleoyl-CoA | | 分子名称: | FE (II) ION, Polyunsaturated fatty acid lipoxygenase ALOX12, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) | | 著者 | Black, K.A, Mobbs, J.I, Venugopal, H, Thal, D.M, Glukhova, A. | | 登録日 | 2023-03-09 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (2.05 Å) | | 主引用文献 | Cryo-EM structures of human arachidonate 12S-lipoxygenase bound to endogenous and exogenous inhibitors.
Blood, 142, 2023
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7M54
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7AE7
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4QSJ
 | | Crystal structure of human carbonic anhydrase isozyme XIII with 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide | | 分子名称: | 1,2-ETHANEDIOL, 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, CITRIC ACID, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2014-07-04 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014
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7M2V
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4QT1
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4RCO
 | | 1.9 Angstrom Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus, in Complex with Sialyl-LewisX. | | 分子名称: | CHLORIDE ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose, Putative uncharacterized protein | | 著者 | Minasov, G, Nocadello, S, Shuvalova, L, Filippova, E, Halavaty, A, Dubrovska, I, Flores, K, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2014-09-16 | | 公開日 | 2014-10-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 1.9 Angstrom Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus, in Complex with Sialyl-LewisX.
TO BE PUBLISHED
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8GHB
 | | The structure of h12-LOX in monomeric form | | 分子名称: | FE (II) ION, Polyunsaturated fatty acid lipoxygenase ALOX12 | | 著者 | Black, K.A, Mobbs, J.I, Venugopal, H, Thal, D.M, Glukhova, A. | | 登録日 | 2023-03-09 | | 公開日 | 2023-08-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (2.76 Å) | | 主引用文献 | Cryo-EM structures of human arachidonate 12S-lipoxygenase bound to endogenous and exogenous inhibitors.
Blood, 142, 2023
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8GJ9
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6MD8
 | | Crystal structure of CTX-M-14 with compound 3 | | 分子名称: | 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Beta-lactamase CTX-M-14, DIMETHYL SULFOXIDE | | 著者 | Akhtar, A, Chen, Y. | | 登録日 | 2018-09-04 | | 公開日 | 2019-04-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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6V93
 | | Structure of DNA Polymerase Zeta/DNA/dNTP Ternary Complex | | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA, ... | | 著者 | Malik, R, Kopylov, M, Jain, R, Ubarrextena-Belandia, I, Aggarwal, A.K. | | 登録日 | 2019-12-13 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structure and mechanism of B-family DNA polymerase zeta specialized for translesion DNA synthesis.
Nat.Struct.Mol.Biol., 27, 2020
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5FHM
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-(aminomethyl)benzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at resolution 1.55 A resolution | | 分子名称: | (2~{S})-3-[5-[2-[[3-(aminomethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-yl]-3-oxidanyl-1,2-oxazol-4-yl]-2-azanyl-propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | Kastrup, J.S, Frydenvang, K, Al-musaed, A. | | 登録日 | 2015-12-22 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Tweaking Subtype Selectivity and Agonist Efficacy at (S)-2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)propionic acid (AMPA) Receptors in a Small Series of BnTetAMPA Analogues.
J.Med.Chem., 59, 2016
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6PDY
 | | Msp1-substrate complex in open conformation | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | 著者 | Wang, L, Myasnikov, A, Pan, X, Walter, P. | | 登録日 | 2019-06-19 | | 公開日 | 2020-02-12 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Structure of the AAA protein Msp1 reveals mechanism of mislocalized membrane protein extraction.
Elife, 9, 2020
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6EAC
 | | Pseudomonas syringae SelO | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | 著者 | Tomchick, D.R, Tagliabracci, V.S, Sreelatha, A. | | 登録日 | 2018-08-02 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.269 Å) | | 主引用文献 | Protein AMPylation by an Evolutionarily Conserved Pseudokinase.
Cell, 175, 2018
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6PEB
 | | Crystal Structure of human NAMPT in complex with NVP-LTM976 | | 分子名称: | N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | 著者 | Weihofen, W.A. | | 登録日 | 2019-06-20 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Scaffold Morphing Identifies 3-Pyridyl Azetidine Ureas as Inhibitors of Nicotinamide Phosphoribosyltransferase (NAMPT).
Acs Med.Chem.Lett., 10, 2019
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