6YUY
 
 | | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 471 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid, DIMETHYL SULFOXIDE, ... | | 著者 | Hillier, J, Ruza, R.R, Jones, E.Y. | | 登録日 | 2020-04-27 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
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6YSK
 | | 1-phenylpyrroles and 1-enylpyrrolidines as inhibitors of Notum | | 分子名称: | (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | | 登録日 | 2020-04-22 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
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6ZVL
 | | ARUK3000263 complex with Notum | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one, ... | | 著者 | Zhao, Y, Ruza, R. | | 登録日 | 2020-07-24 | | 公開日 | 2020-11-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | 5-Phenyl-1,3,4-oxadiazol-2(3 H )-ones Are Potent Inhibitors of Notum Carboxylesterase Activity Identified by the Optimization of a Crystallographic Fragment Screening Hit.
J.Med.Chem., 63, 2020
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6ZUV
 | | Notum fragment 286 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | 著者 | Zhao, Y, Jones, E.Y. | | 登録日 | 2020-07-23 | | 公開日 | 2020-11-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | 5-Phenyl-1,3,4-oxadiazol-2(3 H )-ones Are Potent Inhibitors of Notum Carboxylesterase Activity Identified by the Optimization of a Crystallographic Fragment Screening Hit.
J.Med.Chem., 63, 2020
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8PYV
 | | Structure of Human PS-1 GSH-analog complex, solved at wavelength 2.755 A | | 分子名称: | L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, Prostaglandin E synthase | | 著者 | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A, Vogeley, L, Brown, D.G. | | 登録日 | 2023-07-26 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PZ4
 | | Structure of alginate transporter, AlgE, solved at wavelength 2.755 A | | 分子名称: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | | 著者 | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A, Vogeley, L, Brown, D.G. | | 登録日 | 2023-07-26 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PXC
 | | Structure of Fap1, a domain of the accessory Sec-dependent serine-rich glycoprotein adhesin from Streptococcus oralis, solved at wavelength 3.06 A | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Fap1 | | 著者 | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Owen, C.D, Walsh, M.A, Wagner, A. | | 登録日 | 2023-07-23 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.973 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PX9
 | | Structure of the antibacterial peptide ABC transporter McjD, solved at wavelength 2.75 A | | 分子名称: | MAGNESIUM ION, Microcin-J25 export ATP-binding/permease protein McjD, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Bountra, K, Beis, K, Wagner, A. | | 登録日 | 2023-07-22 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PX5
 | | Structure of the RNA recognition motif (RRM) of Seb1 from S. pombe., solved at wavelength 2.75 A | | 分子名称: | Rpb7-binding protein seb1 | | 著者 | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Wittmann, S, Renner, M, Grimes, J.M, Wagner, A. | | 登録日 | 2023-07-22 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PX4
 | | Structure of the PAS domain code by the LIC_11128 gene from Leptospira interrogans serovar Copenhageni Fiocruz, solved at wavelength 3.09 A | | 分子名称: | Diguanylate cyclase | | 著者 | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Guzzo, C.R, Owens, R.J, Wagner, A. | | 登録日 | 2023-07-22 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PXJ
 | | Structure of Whitewater Arroyo virus GP1 glycoprotein, solved at wavelength 2.75 A | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Glycoprotein G1, ... | | 著者 | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Bowden, T.A, Wagner, A. | | 登録日 | 2023-07-23 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PXL
 | | Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 1.37 A | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, Ferredoxin reductase, ... | | 著者 | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Senda, M, Matsugaki, N, Kawano, Y, Wagner, A. | | 登録日 | 2023-07-23 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PWN
 | | Structure of A2A adenosine receptor A2AR-StaR2-bRIL, solved at wavelength 2.75 A | | 分子名称: | Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, OLEIC ACID, ... | | 著者 | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Moraes, I, Wagner, A. | | 登録日 | 2023-07-20 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PX0
 | | Structure of ribonuclease A, solved at wavelength 2.75 A | | 分子名称: | L-URIDINE-5'-MONOPHOSPHATE, Ribonuclease pancreatic | | 著者 | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Beis, K, Wagner, A. | | 登録日 | 2023-07-22 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PXK
 | | Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 5.76 A | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin reductase | | 著者 | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Senda, M, Matsugaki, N, Kawano, Y, Wagner, A. | | 登録日 | 2023-07-23 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.77 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PX1
 | | Structure of salmonella effector SseK3, solved at wavelength 2.75 A | | 分子名称: | Non-LEE encoded effector protein NleB | | 著者 | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C.M, Esposito, D, Rittinger, K, Wagner, A. | | 登録日 | 2023-07-22 | | 公開日 | 2023-10-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PXH
 | | Structure of TauA from E. coli, solved at wavelength 2.375 A | | 分子名称: | 2-AMINOETHANESULFONIC ACID, IODIDE ION, Taurine ABC transporter substrate-binding protein | | 著者 | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A. | | 登録日 | 2023-07-23 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PX7
 | | Structure of Bacterial Multidrug Efflux transporter AcrB, solved at wavelength 3.02 A | | 分子名称: | Multidrug efflux pump subunit AcrB | | 著者 | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A. | | 登録日 | 2023-07-22 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PZ5
 | | Structure of ThcOx, solved at wavelength 3.099 A | | 分子名称: | FLAVIN MONONUCLEOTIDE, SagB-type dehydrogenase domain protein | | 著者 | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A. | | 登録日 | 2023-07-27 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PYZ
 | | Structure of Ompk36GD from Klebsiella pneumonia, solved at wavelength 4.13 A | | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, OmpK36 | | 著者 | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Kwong, H, Beis, K, Wagner, A. | | 登録日 | 2023-07-26 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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7B99
 | | Notum Fragment 283 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | 著者 | Zhao, Y, Jones, E.Y. | | 登録日 | 2020-12-14 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B8M
 | | Notum-Fragment 193 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol, ... | | 著者 | Zhao, Y, Jonees, E.Y. | | 登録日 | 2020-12-13 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B8U
 | | Notum-Fragment 201 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | 著者 | Zhao, Y, Jonees, E.Y. | | 登録日 | 2020-12-13 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B9I
 | | Notum Fragment 297 | | 分子名称: | 1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Zhao, Y, Jones, E.Y. | | 登録日 | 2020-12-14 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7BA1
 | | Notum Fragment 634 | | 分子名称: | 1-ethanoylpiperidine-4-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Zhao, Y, Jones, E.Y. | | 登録日 | 2020-12-15 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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