3C9Z
 
 | | Sambucus nigra agglutinin II (SNA-II), tetragonal crystal form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Maveyraud, L, Guillet, V, Mourey, L. | | Deposit date: | 2008-02-19 | | Release date: | 2008-11-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural basis for sugar recognition, including the Tn carcinoma antigen, by the lectin SNA-II from Sambucus nigra
Proteins, 75, 2009
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5GVM
 | | Plasmodium vivax SHMT bound with PLP-glycine and GS557 | | Descriptor: | 2-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]ethanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | | Deposit date: | 2016-09-06 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
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3CDE
 | | Crystal structure of HCV NS5B polymerase with a novel Pyridazinone inhibitor | | Descriptor: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | | Deposit date: | 2008-02-26 | | Release date: | 2009-03-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 3: Further optimization of the 2-, 6-, and 7'-substituents and initial pharmacokinetic assessments.
Bioorg.Med.Chem.Lett., 18, 2008
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5GVK
 | | Plasmodium vivax SHMT bound with PLP-glycine and GS256 | | Descriptor: | 5-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{N},~{N}-dimethyl-thiophene-2-sulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | | Deposit date: | 2016-09-06 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
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3CUV
 | | Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides | | Descriptor: | DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyritsi, C, Chrysina, E.D, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | | Deposit date: | 2008-04-17 | | Release date: | 2009-04-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides
To be Published
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3CVZ
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5G3Z
 | | Crystal structure of adenylate kinase ancestor 3 with Zn, Mg and Ap5A bound | | Descriptor: | ADENYLATE KINSE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Nguyen, V, Kutter, S, English, J, Kern, D. | | Deposit date: | 2016-05-03 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
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3CUW
 | | Crystal structure of glycogen phosphorylase b in complex with N-(-D-glucopyranosyl)-N'-(2-naphthyl)oxamides | | Descriptor: | Glycogen phosphorylase, muscle form, N-[oxo(phenylamino)acetyl]-beta-D-glucopyranosylamine | | Authors: | Kyritsi, C, Chrysina, E.D, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | | Deposit date: | 2008-04-17 | | Release date: | 2009-04-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides
To be Published
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3CMP
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3D5M
 | | Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor | | Descriptor: | N-({3-[(5S)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzis othiazol-7-yl}methyl)methanesulfonamide, RNA-directed RNA polymerase | | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | | Deposit date: | 2008-05-16 | | Release date: | 2009-05-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase.
Bioorg.Med.Chem.Lett., 18, 2008
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5HWM
 | | Crystal structure of keto-deoxy-D-galactarate dehydratase complexed with 2-oxoadipic acid | | Descriptor: | 2-OXOADIPIC ACID, FORMIC ACID, Probable 5-dehydro-4-deoxyglucarate dehydratase | | Authors: | Taberman, H, Parkkinen, T, Hakulinen, N, Rouvinen, J. | | Deposit date: | 2016-01-29 | | Release date: | 2016-03-23 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Structure and function of a decarboxylating Agrobacterium tumefaciens keto-deoxy-d-galactarate dehydratase.
Biochemistry, 53, 2014
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7O7D
 | | Crystal structure of rsEGFP2 mutant V151A in the fluorescent on-state determined by synchrotron radiation at 100K | | Descriptor: | Green fluorescent protein | | Authors: | Woodhouse, J, Adam, V, Hadjidemetriou, K, Colletier, J.-P, Weik, M. | | Deposit date: | 2021-04-13 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement.
Chemphyschem, 23, 2022
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7O7E
 | | Crystal structure of rsEGFP2 mutant V151L in the fluorescent on-state determined by synchrotron radiation at 100K | | Descriptor: | Green fluorescent protein | | Authors: | Woodhouse, J, Adam, V, Hadjidemetriou, K, Colletier, J.-P, Weik, M. | | Deposit date: | 2021-04-13 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement.
Chemphyschem, 23, 2022
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7O7U
 | | Crystal structure of rsEGFP2 in the non-fluorescent off-state determined by serial femtosecond crystallography at room temperature | | Descriptor: | Green fluorescent protein | | Authors: | Hadjidemetriou, K, Woodhouse, J, Coquelle, N, Barends, T.R.M, Schlichting, I, Weik, M, Colletier, J.-P. | | Deposit date: | 2021-04-13 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement.
Chemphyschem, 23, 2022
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7O7W
 | | Crystal structure of rsEGFP2 mutant V151L in the non-fluorescent off-state the determined by serial femtosecond crystallography at room temperature | | Descriptor: | Green fluorescent protein | | Authors: | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, Schlichting, I, Colletier, J.-P, Weik, M. | | Deposit date: | 2021-04-13 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement.
Chemphyschem, 23, 2022
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7O7H
 | | Crystal structure of rsEGFP2 mutant V151L in the non-fluorescent off-state determined by synchrotron radiation at 100K | | Descriptor: | Green fluorescent protein | | Authors: | Woodhouse, J, Adam, V, Hadjidemetriou, K, Colletier, J.P, Weik, M. | | Deposit date: | 2021-04-13 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement.
Chemphyschem, 23, 2022
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7O7V
 | | Crystal structure of rsEGFP2 mutant V151A in the fluorescent on-state determined by serial femtosecond crystallography at room temperature | | Descriptor: | Green fluorescent protein | | Authors: | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, Schlichting, I, Colletier, J.-P, Weik, M. | | Deposit date: | 2021-04-13 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement.
Chemphyschem, 23, 2022
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7O7X
 | | Crystal structure of rsEGFP2 mutant V151A in the non-fluorescent off-state determined by serial femtosecond crystallography at room temperature | | Descriptor: | Green fluorescent protein | | Authors: | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, Schlichting, I, Colletier, J.-P, Weik, M. | | Deposit date: | 2021-04-13 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement.
Chemphyschem, 23, 2022
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7O7C
 | | Crystal structure of rsEGFP2 mutant V151A in the non-fluorescent off-state determined by synchrotron radiation at 100K | | Descriptor: | Green fluorescent protein, SULFATE ION | | Authors: | Woodhouse, J, Adam, V, Hadjidemetriou, K, Colletier, J.-P, Weik, M. | | Deposit date: | 2021-04-13 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement.
Chemphyschem, 23, 2022
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6TTJ
 | | Neutral invertase 2 from Arabidopsis thaliana | | Descriptor: | Alkaline/neutral invertase CINV1 | | Authors: | Tsirkone, V.G, Osipov, E.M, Beelen, S, Strelkov, S.V. | | Deposit date: | 2019-12-27 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.392 Å) | | Cite: | Crystal structure of Arabidopsis thaliana neutral invertase 2.
Acta Crystallogr.,Sect.F, 76, 2020
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6TUV
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3QS9
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3QS7
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4FDD
 | | Crystal structure of KAP beta2-PY-NLS | | Descriptor: | RNA-binding protein FUS, Transportin-1 | | Authors: | Zhang, Z.C, Chook, Y.M. | | Deposit date: | 2012-05-28 | | Release date: | 2012-07-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and energetic basis of ALS-causing mutations in the atypical proline-tyrosine nuclear localization signal of the Fused in Sarcoma protein (FUS).
Proc.Natl.Acad.Sci.USA, 109, 2012
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4FMJ
 | | Merkel cell polyomavirus VP1 in complex with GD1a oligosaccharide | | Descriptor: | CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid, ... | | Authors: | Neu, U, Hengel, H, Stehle, T. | | Deposit date: | 2012-06-17 | | Release date: | 2012-09-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection.
Plos Pathog., 8, 2012
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