7B84
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![BU of 7b84 by Molmil](/molmil-images/mine/7b84) | Notum-Fragment065 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-12 | Release date: | 2022-01-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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6ZUV
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![BU of 6zuv by Molmil](/molmil-images/mine/6zuv) | Notum fragment 286 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2020-07-23 | Release date: | 2020-11-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | 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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6ZVL
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![BU of 6zvl by Molmil](/molmil-images/mine/6zvl) | ARUK3000263 complex with Notum | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one, ... | Authors: | Zhao, Y, Ruza, R. | Deposit date: | 2020-07-24 | Release date: | 2020-11-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | 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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8PZ4
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![BU of 8pz4 by Molmil](/molmil-images/mine/8pz4) | Structure of alginate transporter, AlgE, solved at wavelength 2.755 A | Descriptor: | (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, ... | Authors: | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A, Vogeley, L, Brown, D.G. | Deposit date: | 2023-07-26 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PYV
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![BU of 8pyv by Molmil](/molmil-images/mine/8pyv) | Structure of Human PS-1 GSH-analog complex, solved at wavelength 2.755 A | Descriptor: | L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, Prostaglandin E synthase | Authors: | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A, Vogeley, L, Brown, D.G. | Deposit date: | 2023-07-26 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PX0
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![BU of 8px0 by Molmil](/molmil-images/mine/8px0) | Structure of ribonuclease A, solved at wavelength 2.75 A | Descriptor: | L-URIDINE-5'-MONOPHOSPHATE, Ribonuclease pancreatic | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Beis, K, Wagner, A. | Deposit date: | 2023-07-22 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PX4
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![BU of 8px4 by Molmil](/molmil-images/mine/8px4) | Structure of the PAS domain code by the LIC_11128 gene from Leptospira interrogans serovar Copenhageni Fiocruz, solved at wavelength 3.09 A | Descriptor: | Diguanylate cyclase | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Guzzo, C.R, Owens, R.J, Wagner, A. | Deposit date: | 2023-07-22 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PX7
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![BU of 8px7 by Molmil](/molmil-images/mine/8px7) | Structure of Bacterial Multidrug Efflux transporter AcrB, solved at wavelength 3.02 A | Descriptor: | Multidrug efflux pump subunit AcrB | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A. | Deposit date: | 2023-07-22 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PWN
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![BU of 8pwn by Molmil](/molmil-images/mine/8pwn) | Structure of A2A adenosine receptor A2AR-StaR2-bRIL, solved at wavelength 2.75 A | Descriptor: | Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, OLEIC ACID, ... | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Moraes, I, Wagner, A. | Deposit date: | 2023-07-20 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PXJ
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![BU of 8pxj by Molmil](/molmil-images/mine/8pxj) | Structure of Whitewater Arroyo virus GP1 glycoprotein, solved at wavelength 2.75 A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Glycoprotein G1, ... | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Bowden, T.A, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PX5
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![BU of 8px5 by Molmil](/molmil-images/mine/8px5) | Structure of the RNA recognition motif (RRM) of Seb1 from S. pombe., solved at wavelength 2.75 A | Descriptor: | Rpb7-binding protein seb1 | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Wittmann, S, Renner, M, Grimes, J.M, Wagner, A. | Deposit date: | 2023-07-22 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PX9
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![BU of 8px9 by Molmil](/molmil-images/mine/8px9) | Structure of the antibacterial peptide ABC transporter McjD, solved at wavelength 2.75 A | Descriptor: | MAGNESIUM ION, Microcin-J25 export ATP-binding/permease protein McjD, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Bountra, K, Beis, K, Wagner, A. | Deposit date: | 2023-07-22 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PXK
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![BU of 8pxk by Molmil](/molmil-images/mine/8pxk) | Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 5.76 A | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin reductase | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Senda, M, Matsugaki, N, Kawano, Y, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.77 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PXH
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![BU of 8pxh by Molmil](/molmil-images/mine/8pxh) | Structure of TauA from E. coli, solved at wavelength 2.375 A | Descriptor: | 2-AMINOETHANESULFONIC ACID, IODIDE ION, Taurine ABC transporter substrate-binding protein | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PYZ
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![BU of 8pyz by Molmil](/molmil-images/mine/8pyz) | Structure of Ompk36GD from Klebsiella pneumonia, solved at wavelength 4.13 A | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, OmpK36 | Authors: | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Kwong, H, Beis, K, Wagner, A. | Deposit date: | 2023-07-26 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PXC
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![BU of 8pxc by Molmil](/molmil-images/mine/8pxc) | Structure of Fap1, a domain of the accessory Sec-dependent serine-rich glycoprotein adhesin from Streptococcus oralis, solved at wavelength 3.06 A | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Fap1 | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Owen, C.D, Walsh, M.A, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.973 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PZ5
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![BU of 8pz5 by Molmil](/molmil-images/mine/8pz5) | Structure of ThcOx, solved at wavelength 3.099 A | Descriptor: | FLAVIN MONONUCLEOTIDE, SagB-type dehydrogenase domain protein | Authors: | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A. | Deposit date: | 2023-07-27 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PX1
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![BU of 8px1 by Molmil](/molmil-images/mine/8px1) | Structure of salmonella effector SseK3, solved at wavelength 2.75 A | Descriptor: | Non-LEE encoded effector protein NleB | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C.M, Esposito, D, Rittinger, K, Wagner, A. | Deposit date: | 2023-07-22 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PXL
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![BU of 8pxl by Molmil](/molmil-images/mine/8pxl) | Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 1.37 A | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, Ferredoxin reductase, ... | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Senda, M, Matsugaki, N, Kawano, Y, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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7B8L
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![BU of 7b8l by Molmil](/molmil-images/mine/7b8l) | Notum-Fragment 174 | Descriptor: | 1,2-ETHANEDIOL, 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-13 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B98
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![BU of 7b98 by Molmil](/molmil-images/mine/7b98) | Notum Fragment 282 | Descriptor: | (3-phenyl-1,2-oxazol-5-yl)methylazanium, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2020-12-14 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B8D
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![BU of 7b8d by Molmil](/molmil-images/mine/7b8d) | Notum-Fragment 151 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-amino-N-(pyridin-2-yl)benzenesulfonamide, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-12 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7BAC
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![BU of 7bac by Molmil](/molmil-images/mine/7bac) | Notum Fragment 646 | Descriptor: | 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2020-12-15 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B8M
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![BU of 7b8m by Molmil](/molmil-images/mine/7b8m) | Notum-Fragment 193 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-13 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B9U
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![BU of 7b9u by Molmil](/molmil-images/mine/7b9u) | Notum Fragment 609 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2020-12-14 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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