1S7C
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![BU of 1s7c by Molmil](/molmil-images/mine/1s7c) | Crystal structure of MES buffer bound form of glyceraldehyde 3-phosphate dehydrogenase from Escherichia coli | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glyceraldehyde 3-phosphate dehydrogenase A, SULFATE ION | Authors: | Shin, D.H, Thor, J, Yokota, H, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2004-01-29 | Release date: | 2004-08-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Crystal structure of MES buffer bound form of glyceraldehyde 3-phosphate dehydrogenase from Escherichia coli To be Published
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1K7J
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![BU of 1k7j by Molmil](/molmil-images/mine/1k7j) | Structural Genomics, protein TF1 | Descriptor: | Protein yciO, SULFATE ION | Authors: | Zhang, R, Dementieva, I, Thorn, J, Donnelly, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2001-10-19 | Release date: | 2002-08-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Genomics, protein TF1 To be Published
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4X8C
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![BU of 4x8c by Molmil](/molmil-images/mine/4x8c) | Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK147 | Descriptor: | CALCIUM ION, Protein-arginine deiminase type-4, [(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone | Authors: | Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J. | Deposit date: | 2014-12-10 | Release date: | 2015-01-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation. Nat.Chem.Biol., 11, 2015
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4X8G
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![BU of 4x8g by Molmil](/molmil-images/mine/4x8g) | Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK199 | Descriptor: | CALCIUM ION, Protein-arginine deiminase type-4, [(3R)-3-aminopiperidin-1-yl][2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzimidazol-5-yl]methanone | Authors: | Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J. | Deposit date: | 2014-12-10 | Release date: | 2015-01-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation. Nat.Chem.Biol., 11, 2015
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1FPW
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![BU of 1fpw by Molmil](/molmil-images/mine/1fpw) | STRUCTURE OF YEAST FREQUENIN | Descriptor: | CALCIUM ION, CALCIUM-BINDING PROTEIN NCS-1 | Authors: | Ames, J.B, Hendricks, K.B, Strahl, T, Huttner, I.G, Thorner, J. | Deposit date: | 2000-08-31 | Release date: | 2000-10-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure and calcium-binding properties of Frq1, a novel calcium sensor in the yeast Saccharomyces cerevisiae. Biochemistry, 39, 2000
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2KX6
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![BU of 2kx6 by Molmil](/molmil-images/mine/2kx6) | Signaling state of Photoactive Yellow Protein | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | Authors: | Ramachandran, P.L, Lovett, J.E, Carl, P.J, Cammarata, M, Lee, J.H, Yang, J.O, Ihee, H, Timmel, C.R, van Thor, J. | Deposit date: | 2010-04-27 | Release date: | 2011-06-15 | Last modified: | 2012-07-18 | Method: | SOLUTION NMR, SOLUTION SCATTERING | Cite: | The short-lived signaling state of the photoactive yellow protein photoreceptor revealed by combined structural probes. J.Am.Chem.Soc., 133, 2011
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8A83
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![BU of 8a83 by Molmil](/molmil-images/mine/8a83) | |
8A6R
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![BU of 8a6r by Molmil](/molmil-images/mine/8a6r) | |
8A6N
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![BU of 8a6n by Molmil](/molmil-images/mine/8a6n) | |
8A6O
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![BU of 8a6o by Molmil](/molmil-images/mine/8a6o) | |
8A6S
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![BU of 8a6s by Molmil](/molmil-images/mine/8a6s) | |
8A6G
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![BU of 8a6g by Molmil](/molmil-images/mine/8a6g) | |
8A6P
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![BU of 8a6p by Molmil](/molmil-images/mine/8a6p) | |
8A6Q
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![BU of 8a6q by Molmil](/molmil-images/mine/8a6q) | |
8A7V
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![BU of 8a7v by Molmil](/molmil-images/mine/8a7v) | |
8AM4
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![BU of 8am4 by Molmil](/molmil-images/mine/8am4) | Cl-rsEGFP2 Long Wavelength Structure | Descriptor: | Green fluorescent protein | Authors: | Orr, C.M, Fadini, A, van Thor, J. | Deposit date: | 2022-08-02 | Release date: | 2023-08-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism. J.Am.Chem.Soc., 2023
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6T2H
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![BU of 6t2h by Molmil](/molmil-images/mine/6t2h) | Furano[2,3-d]prymidine amides as Notum inhibitors | Descriptor: | 1,2-ETHANEDIOL, 2-[[(4~{S})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-10-08 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Scaffold-hopping identifies furano[2,3-d]pyrimidine amides as potent Notum inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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6T2K
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![BU of 6t2k by Molmil](/molmil-images/mine/6t2k) | Furano[2,3-d]prymidine amides as Notum inhibitors | Descriptor: | 1,2-ETHANEDIOL, 2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-10-08 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Scaffold-hopping identifies furano[2,3-d]pyrimidine amides as potent Notum inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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7A15
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![BU of 7a15 by Molmil](/molmil-images/mine/7a15) | |
7A13
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![BU of 7a13 by Molmil](/molmil-images/mine/7a13) | |
7A12
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![BU of 7a12 by Molmil](/molmil-images/mine/7a12) | |
7A16
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![BU of 7a16 by Molmil](/molmil-images/mine/7a16) | |
7A14
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![BU of 7a14 by Molmil](/molmil-images/mine/7a14) | |
7PK3
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![BU of 7pk3 by Molmil](/molmil-images/mine/7pk3) | Notum_ARUK3001185 | Descriptor: | 1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Vecchia, L, Hillier, J, Zhao, Y, Fish, P, Jones, E.Y. | Deposit date: | 2021-08-25 | Release date: | 2022-09-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit. J.Med.Chem., 65, 2022
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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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