5A2R
 
 | | A New Crystal Structure of the Drosophila melanogaster Angiotensin Converting Enzyme Homologue AnCE. | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, ... | | Authors: | Harrison, C, Acharya, K.R. | | Deposit date: | 2015-05-22 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A New High-Resolution Crystal Structure of the Drosophila Melanogaster Angiotensin Converting Enzyme Homologue, Ance.
FEBS Open Bio, 5, 2015
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5MTK
 | | Crystal structure of human Caspase-1 with (3S,6S,10aS)-N-((2S,3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-6-(isoquinoline-1-carboxamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide (PGE-3935199) | | Descriptor: | (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | | Authors: | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | | Deposit date: | 2017-01-09 | | Release date: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Playing against the odds: scaffold hopping from 3D-fragments
To Be Published
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5MMV
 | | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) | | Descriptor: | (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | | Authors: | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | | Deposit date: | 2016-12-12 | | Release date: | 2017-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1)
To Be Published
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4APZ
 | | Structure of B. subtilis genomic dUTPase YncF in complex with dU, PPi and Mg in P1 | | Descriptor: | 2'-DEOXYURIDINE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Garcia-Nafria, J, Timm, J, Harrison, C, Turkenburg, J.P, Wilson, K.S. | | Deposit date: | 2012-04-11 | | Release date: | 2013-04-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism
Acta Crystallogr.,Sect.D, 69, 2013
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4AOO
 | | B. subtilis dUTPase YncF in complex with dU PPi and Mg in H32 | | Descriptor: | 2'-DEOXYURIDINE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Garcia-Nafria, J, Timm, J, Harrison, C, Turkenburg, J.P, Wilson, K.S. | | Deposit date: | 2012-03-29 | | Release date: | 2013-04-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism
Acta Crystallogr.,Sect.D, 69, 2013
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4AO5
 | | B. subtilis prophage dUTPase YosS in complex with dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, SODIUM ION, SPBC2 PROPHAGE-DERIVED DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEO TIDOHYDROLASE YOSS | | Authors: | Garcia-Nafria, J, Harrison, C, Turkenburg, J.P, Wilson, K.S. | | Deposit date: | 2012-03-23 | | Release date: | 2013-04-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism
Acta Crystallogr.,Sect.D, 69, 2013
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4B0H
 | | B. subtilis dUTPase YncF in complex with dU, PPi and Mg b (P212121) | | Descriptor: | 2'-DEOXYURIDINE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Timm, J, Garcia-Nafria, J, Harrison, C, Turkenburg, J.P, Wilson, K.S. | | Deposit date: | 2012-07-02 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism
Acta Crystallogr.,Sect.D, 69, 2013
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4AOZ
 | | B. subtilis dUTPase YncF in complex with dU, PPi and Mg (P212121) | | Descriptor: | 2'-DEOXYURIDINE, ACETATE ION, CHLORIDE ION, ... | | Authors: | Timm, J, Garcia-Nafria, J, Harrison, C, Turkenburg, J.P, Wilson, K.S. | | Deposit date: | 2012-03-30 | | Release date: | 2013-05-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism
Acta Crystallogr.,Sect.D, 69, 2013
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4FB3
 | | Polyomavirus T-ag binds symmetrical repeats at the viral origin in an asymmetrical manner | | Descriptor: | Large T antigen, ORI DNA oligonucleotide-Crick strand, ORI DNA oligonucleotide-Watson strand | | Authors: | Bohm, A, Harrison, C.J, Schaffhausen, B.S, Jiang, T. | | Deposit date: | 2012-05-22 | | Release date: | 2013-10-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.79 Å) | | Cite: | Polyomavirus large T antigen binds symmetrical repeats at the viral origin in an asymmetrical manner.
J.Virol., 87, 2013
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2HTS
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8F5I
 | | SARS-CoV-2 S2 helix epitope scaffold bound by antibody DH1057.1 | | Descriptor: | DH1057.1 HC, DH1057.1 LC, Specialized acyl carrier protein, ... | | Authors: | Kapingidza, A.B, Wrapp, D, Winters, K, Azoitei, M.L. | | Deposit date: | 2022-11-14 | | Release date: | 2023-10-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Engineered immunogens to elicit antibodies against conserved coronavirus epitopes.
Nat Commun, 14, 2023
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8F5H
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8FDO
 | | SARS-CoV-2 fusion peptide epitope scaffold FP15 bound to DH1058 | | Descriptor: | DH1058 Heavy chain, DH1058 Light chain, FP15 | | Authors: | Kapingidza, A.B, Marston, D.J, Wrapp, D, Winters, K, Azoitei, M.L. | | Deposit date: | 2022-12-04 | | Release date: | 2023-10-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Engineered immunogens to elicit antibodies against conserved coronavirus epitopes.
Nat Commun, 14, 2023
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7PAD
 | | The crystal structure of DW-0254 in complex with PDE6D | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Beaumont, E, Williams, D. | | Deposit date: | 2021-07-29 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
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7PAC
 | | The crystal structure of PDE6D in the apo state | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | | Authors: | Beaumont, E, Williams, D. | | Deposit date: | 2021-07-29 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
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7PAE
 | | The crystal structure of Deltarasin in complex with PDE6D | | Descriptor: | ACETIC ACID, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, deltarasin | | Authors: | Beaumont, E, Williams, D. | | Deposit date: | 2021-07-29 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
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6S1Z
 | | Crystal structure of Anopheles gambiae AnoACE2 in complex with fosinoprilat | | Descriptor: | Angiotensin-converting enzyme, ZINC ION, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cozier, G.E, Acharya, K.R, Cashman, J.S. | | Deposit date: | 2019-06-19 | | Release date: | 2019-11-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of angiotensin-converting enzyme from Anopheles gambiae in its native form and with a bound inhibitor.
Biochem.J., 476, 2019
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6S1Y
 | | Crystal structure of Anopheles gambiae AnoACE2 in complex with gamma-Polyglutamic Acid. | | Descriptor: | (2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cozier, G.E, Acharya, K.R, Cashman, J.S. | | Deposit date: | 2019-06-19 | | Release date: | 2019-11-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of angiotensin-converting enzyme from Anopheles gambiae in its native form and with a bound inhibitor.
Biochem.J., 476, 2019
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