6FCF
 
 | | CHK1 KINASE IN COMPLEX WITH COMPOUND 44 | | Descriptor: | 4-[[(2~{R},3~{S})-2-methylpiperidin-3-yl]amino]-2-phenyl-thieno[3,2-c]pyridine-7-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2017-12-20 | | Release date: | 2018-01-17 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Adventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors.
J. Med. Chem., 61, 2018
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4KW0
 | | Structure of Dickerson-Drew Dodecamer with 2'-MeSe-ara-G modification | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*(1TW)P*CP*G)-3'), MAGNESIUM ION | | Authors: | Jiang, S, Gan, J, Sheng, J, Sun, H, Huang, Z. | | Deposit date: | 2013-05-23 | | Release date: | 2013-07-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structure of Dickerson-Drew Dodecamer with 2'-MeSe-ara-G modification
TO BE PUBLISHED
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6F3M
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2JC5
 | | Apurinic Apyrimidinic (AP) endonuclease (NApe) from Neisseria Meningitidis | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, BICINE, EXODEOXYRIBONUCLEASE, ... | | Authors: | Carpenter, E.P, Corbett, A, Thomson, H, Adacha, J, Jensen, K, Bergeron, J, Kasampalidis, I, Exley, R, Winterbotham, M, Tang, C, Baldwin, G.S, Freemont, P. | | Deposit date: | 2006-12-19 | | Release date: | 2007-03-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Ap Endonuclease Paralogues with Distinct Activities in DNA Repair and Bacterial Pathogenesis.
Embo J., 26, 2007
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6F82
 | | AKR1B1 at 1.65 MGy radiation dose. | | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Castellvi, A, Juanhuix, J. | | Deposit date: | 2017-12-12 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
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4L8E
 | | Crystal structure of a glutathione transferase family member from xenorhabdus nematophila, target efi-507418, with two gsh per subunit | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUTATHIONE, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-06-17 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a glutathione transferase family member from xenorhabdus nematophila, target efi-507418, with two gsh per subunit
To be published
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2JC4
 | | 3'-5' exonuclease (NExo) from Neisseria Meningitidis | | Descriptor: | ACETATE ION, DIHYDROGENPHOSPHATE ION, EXODEOXYRIBONUCLEASE III, ... | | Authors: | Carpenter, E.P, Corbett, A, Thomson, H, Adacha, J, Jensen, K, Bergeron, J, Kasampalidis, I, Exley, R, Winterbotham, M, Tang, C, Baldwin, G, Freemont, P. | | Deposit date: | 2006-12-19 | | Release date: | 2007-03-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ap Endonuclease Paralogues with Distinct Activities in DNA Repair and Bacterial Pathogenesis.
Embo J., 26, 2007
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4L4Q
 | | Methionine Adenosyltransferase | | Descriptor: | S-adenosylmethionine synthase | | Authors: | Schlesier, J, Siegrist, J, Gerhardt, S, Andexer, J.N, Einsle, O. | | Deposit date: | 2013-06-09 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and functional characterisation of the methionine adenosyltransferase from Thermococcus kodakarensis.
Bmc Struct.Biol., 13, 2013
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4LB0
 | | Crystal structure of a hydroxyproline epimerase from agrobacterium vitis, target efi-506420, with bound trans-4-oh-l-proline | | Descriptor: | 4-HYDROXYPROLINE, ACETATE ION, Uncharacterized protein | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-06-20 | | Release date: | 2013-07-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a hydroxyproline epimerase from agrobacterium vitis, target efi-506420, with bound trans-4-oh-l-proline
To be Published
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6FBQ
 | | Crystal Structure of the Human Retinoid X Receptor DNA-Binding Domain Bound to the Human MEp DR1 Response Element, pH 7.0 | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, DNA (5'-D(*CP*TP*GP*GP*GP*TP*CP*AP*AP*AP*GP*TP*TP*CP*AP*TP*C)-3'), DNA (5'-D(*GP*AP*TP*GP*AP*AP*CP*TP*TP*TP*GP*AP*CP*CP*CP*AP*G)-3'), ... | | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Osz, J, Rochel, N. | | Deposit date: | 2017-12-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Modulation of RXR-DNA complex assembly by DNA context.
Mol. Cell. Endocrinol., 481, 2019
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6FKA
 | | Crystal structure of N2C/D282C stabilized opsin bound to RS11 | | Descriptor: | (2~{S})-2-(3,4-dichlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one, PALMITIC ACID, Rhodopsin, ... | | Authors: | Mattle, D, Standfuss, J, Dawson, R. | | Deposit date: | 2018-01-23 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Ligand channel in pharmacologically stabilized rhodopsin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2VL1
 | | Crystal structure of beta-alanine synthase from Saccharomyces kluyveri in complex with a gly-gly peptide | | Descriptor: | BETA-ALANINE SYNTHASE, GLYCINE, ZINC ION | | Authors: | Andersen, B, Lundgren, S, Dobritzsch, D, Piskur, J. | | Deposit date: | 2008-01-07 | | Release date: | 2008-05-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A Recruited Protease is Involved in Catabolism of Pyrimidines.
J.Mol.Biol., 379, 2008
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6FCK
 | | CHK1 KINASE IN COMPLEX WITH COMPOUND 13 | | Descriptor: | 2-phenyl-4-[[(3~{S})-piperidin-3-yl]amino]-1~{H}-indole-7-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2017-12-20 | | Release date: | 2018-01-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Adventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors.
J. Med. Chem., 61, 2018
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4MPF
 | | Crystal structure of human glutathione transferase theta-2, complex with inorganic phosphate, GSH free, target EFI-507257 | | Descriptor: | Glutathione S-transferase theta-2, L(+)-TARTARIC ACID, PHOSPHATE ION | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-09-12 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Human Glutathione S-Transferase Theta-2 (Target Efi-507257)
To be Published
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6F7R
 | | AKR1B1 at 0.03 MGy radiation dose. | | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Castellvi, A, Juanhuix, J. | | Deposit date: | 2017-12-11 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
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6FIF
 | | Crystal structure of the BRI1 Gly644-Asp (bri1-6) mutant from Arabidopsis thaliana. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Hothorn, M, Santiago, J, Hohmann, U. | | Deposit date: | 2018-01-18 | | Release date: | 2018-01-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Mechanistic basis for the activation of plant membrane receptor kinases by SERK-family coreceptors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2WNK
 | | Structure of SporoSAG from Toxoplasma gondii | | Descriptor: | SPOROZOITE-SPECIFIC SAG PROTEIN | | Authors: | Crawford, J, Lamb, E, Grujic, O, Grigg, M.E, Boulanger, M.J. | | Deposit date: | 2009-07-09 | | Release date: | 2010-02-02 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and Functional Characterization of Sporosag: A Sag2 Related Surface Antigen from Toxoplasma Gondii.
J.Biol.Chem., 285, 2010
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7WQI
 | | Crystal structure of SARS coronavirus main protease in complex with PF07304814 | | Descriptor: | 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J. | | Deposit date: | 2022-01-25 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structure of SARS coronavirus main protease in complex with PF07304814
To Be Published
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2WN9
 | | Crystal structure of Aplysia ACHBP in complex with 4-0H-DMXBA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(E)-5,6-DIHYDRO-2,3'-BIPYRIDIN-3(4H)-YLIDENEMETHYL]-3-METHOXYPHENOL, SOLUBLE ACETYLCHOLINE RECEPTOR, ... | | Authors: | Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y. | | Deposit date: | 2009-07-07 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor.
Embo J., 28, 2009
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6FC8
 | | CHK1 KINASE IN COMPLEX WITH COMPOUND 13 | | Descriptor: | 2-(3-fluorophenyl)-4-[[(3~{S})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2017-12-20 | | Release date: | 2018-01-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Adventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors.
J. Med. Chem., 61, 2018
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6FKC
 | | Crystal structure of N2C/D282C stabilized opsin bound to RS15 | | Descriptor: | 3-[1'-[(2~{S})-2-(4-chlorophenyl)-3-methyl-butanoyl]spiro[1,3-benzodioxole-2,4'-piperidine]-5-yl]propanoic acid, PALMITIC ACID, Rhodopsin, ... | | Authors: | Mattle, D, Standfuss, J, Dawson, R. | | Deposit date: | 2018-01-23 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Ligand channel in pharmacologically stabilized rhodopsin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6FGP
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2WUJ
 | | DivIVA N-terminal domain | | Descriptor: | SEPTUM SITE-DETERMINING PROTEIN DIVIVA | | Authors: | Oliva, M.A, Leonard, T.A, Lowe, J. | | Deposit date: | 2009-10-06 | | Release date: | 2010-06-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Features Critical for Membrane Binding Revealed by Diviva Crystal Structure.
Embo J., 29, 2010
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6FHY
 | | Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside | | Descriptor: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{S},4~{R},6~{R})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Houser, J, Jancarikova, G, Wimmerova, M. | | Deposit date: | 2018-01-16 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica.
Sci Rep, 9, 2019
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2VU7
 | | Atomic resolution (1.08 A) structure of purified thaumatin I grown in sodium meso-tartrate at 4 C | | Descriptor: | 1,2-ETHANEDIOL, S,R MESO-TARTARIC ACID, Thaumatin-1 | | Authors: | Jakoncic, J, Asherie, N, Ginsberg, C. | | Deposit date: | 2008-05-21 | | Release date: | 2009-07-14 | | Last modified: | 2019-02-20 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Tartrate Chirality Determines Thaumatin Crystal Habit
Cryst.Growth Des., 9, 2009
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