8GKO
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![BU of 8gko by Molmil](/molmil-images/mine/8gko) | Crystal Structure Analysis of Aspergillus fumigatus alkaline protease | Descriptor: | 1,2-ETHANEDIOL, Alkaline protease 1, FORMYL GROUP, ... | Authors: | Fernandez, D, Diec, D.D.L, Guo, W, Russi, S. | Deposit date: | 2023-03-20 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Targeting Aspergillus allergen oryzin with a chemical probe at atomic precision. Sci Rep, 13, 2023
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8GKQ
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![BU of 8gkq by Molmil](/molmil-images/mine/8gkq) | Crystal Structure Analysis of Aspergillus fumigatus alkaline protease | Descriptor: | 1,2-ETHANEDIOL, Alkaline protease 1, CALCIUM ION, ... | Authors: | Fernandez, D, Diec, D.D.L, Guo, W, Russi, S. | Deposit date: | 2023-03-20 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Targeting Aspergillus allergen oryzin with a chemical probe at atomic precision. Sci Rep, 13, 2023
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8GKP
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![BU of 8gkp by Molmil](/molmil-images/mine/8gkp) | Crystal Structure Analysis of Aspergillus fumigatus alkaline protease | Descriptor: | Alkaline protease 1, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | Authors: | Fernandez, D, Diec, D.D.L, Guo, W, Russi, S. | Deposit date: | 2023-03-20 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Targeting Aspergillus allergen oryzin with a chemical probe at atomic precision. Sci Rep, 13, 2023
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6NQT
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![BU of 6nqt by Molmil](/molmil-images/mine/6nqt) | GalNac-T2 soaked with UDP-sugar | Descriptor: | MANGANESE (II) ION, Polypeptide N-acetylgalactosaminyltransferase 2, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R},6~{R})-3-(hex-5-ynoylamino)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate | Authors: | Fernandez, D, Bertozzi, C.R, Schumann, B, Agbay, A. | Deposit date: | 2019-01-21 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Bump-and-Hole Engineering Identifies Specific Substrates of Glycosyltransferases in Living Cells. Mol.Cell, 78, 2020
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6CFF
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![BU of 6cff by Molmil](/molmil-images/mine/6cff) | Stimulator of Interferon Genes Human | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Stimulator of interferon genes protein | Authors: | Fernandez, D, Li, L, Ergun, S.L. | Deposit date: | 2018-02-14 | Release date: | 2019-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.396 Å) | Cite: | STING Polymer Structure Reveals Mechanisms for Activation, Hyperactivation, and Inhibition. Cell, 178, 2019
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6W7P
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![BU of 6w7p by Molmil](/molmil-images/mine/6w7p) | |
6W8E
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![BU of 6w8e by Molmil](/molmil-images/mine/6w8e) | |
5A52
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![BU of 5a52 by Molmil](/molmil-images/mine/5a52) | |
3GLJ
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![BU of 3glj by Molmil](/molmil-images/mine/3glj) | A polymorph of carboxypeptidase B zymogen structure | Descriptor: | Carboxypeptidase B, GLYCEROL, ZINC ION | Authors: | Fernandez, D. | Deposit date: | 2009-03-12 | Release date: | 2009-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Analysis of a new crystal form of procarboxypeptidase B: further insights into the catalytic mechanism Biopolymers, 2009
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8U45
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![BU of 8u45 by Molmil](/molmil-images/mine/8u45) | Crystal Structure Analysis of Aspergillus fumigatus alkaline protease | Descriptor: | Alkaline protease 1, CALCIUM ION, CHLORIDE ION, ... | Authors: | Fernandez, D, Diec, D.D.L, Guo, W, Russi, S. | Deposit date: | 2023-09-08 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Targeting Aspergillus allergen oryzin with a chemical probe at atomic precision. Sci Rep, 13, 2023
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4K90
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![BU of 4k90 by Molmil](/molmil-images/mine/4k90) | Extracellular metalloproteinase from Aspergillus | Descriptor: | BORIC ACID, CALCIUM ION, Extracellular metalloproteinase mep, ... | Authors: | Fernandez, D, Russi, S, Vendrell, J, Monod, M, Pallares, I. | Deposit date: | 2013-04-19 | Release date: | 2013-10-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A functional and structural study of the major metalloprotease secreted by the pathogenic fungus Aspergillus fumigatus. Acta Crystallogr.,Sect.D, 69, 2013
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7MW8
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7MJC
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![BU of 7mjc by Molmil](/molmil-images/mine/7mjc) | Crystal Structure Analysis of ALDH1B1 | Descriptor: | Aldehyde dehydrogenase X, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Fernandez, D, Chen, J.K. | Deposit date: | 2021-04-20 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Inhibitors targeted to aldehyde dehydrogenase Nat.Chem.Biol., 2022
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7MJD
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![BU of 7mjd by Molmil](/molmil-images/mine/7mjd) | Crystal Structure Analysis of ALDH1B1 | Descriptor: | 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene, Aldehyde dehydrogenase X, mitochondrial, ... | Authors: | Fernandez, D, Chen, J.K. | Deposit date: | 2021-04-20 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Inhibitors targeted to aldehyde dehydrogenase Nat.Chem.Biol., 2022
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6XKD
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![BU of 6xkd by Molmil](/molmil-images/mine/6xkd) | Structure of ligand-bound mouse cGAMP hydrolase ENPP1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Fernandez, D, Li, L. | Deposit date: | 2020-06-26 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure-Aided Development of Small-Molecule Inhibitors of ENPP1, the Extracellular Phosphodiesterase of the Immunotransmitter cGAMP. Cell Chem Biol, 27, 2020
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7N1S
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![BU of 7n1s by Molmil](/molmil-images/mine/7n1s) | Crystal Structure Analysis of Xac Nucleotide Pyrophosphatase/Phosphodiesterase | Descriptor: | Phosphodiesterase-nucleotide pyrophosphatase, TETRAETHYLENE GLYCOL, ZINC ION | Authors: | Fernandez, D, Li, L, Brown, J.A, Carozza, J.A. | Deposit date: | 2021-05-28 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | ENPP1's regulation of extracellular cGAMP is a ubiquitous mechanism of attenuating STING signaling. Proc.Natl.Acad.Sci.USA, 119, 2022
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6CY7
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![BU of 6cy7 by Molmil](/molmil-images/mine/6cy7) | Human Stimulator of Interferon Genes | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, GLYCEROL, IMIDAZOLE, ... | Authors: | Fernandez, D, Li, L, Ergun, S.L. | Deposit date: | 2018-04-04 | Release date: | 2019-03-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | STING Polymer Structure Reveals Mechanisms for Activation, Hyperactivation, and Inhibition. Cell, 178, 2019
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6DNK
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![BU of 6dnk by Molmil](/molmil-images/mine/6dnk) | Human Stimulator of Interferon Genes | Descriptor: | Stimulator of interferon genes protein, cGAMP | Authors: | Fernandez, D, Li, L, Ergun, S.L. | Deposit date: | 2018-06-06 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | STING Polymer Structure Reveals Mechanisms for Activation, Hyperactivation, and Inhibition. Cell, 178, 2019
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3KGQ
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![BU of 3kgq by Molmil](/molmil-images/mine/3kgq) | Carboxypeptidase A liganded to an organic small-molecule: conformational changes | Descriptor: | ACETONE, CITRIC ACID, Carboxypeptidase A1, ... | Authors: | Fernandez, D, Boix, E, Pallares, I, Aviles, F.X, Vendrell, J. | Deposit date: | 2009-10-29 | Release date: | 2010-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Functional Analysis of the Complex between Citrate and the Zinc Peptidase Carboxypeptidase A Enzyme Res, 2011, 2011
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3HLP
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![BU of 3hlp by Molmil](/molmil-images/mine/3hlp) | |
3I1U
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![BU of 3i1u by Molmil](/molmil-images/mine/3i1u) | Carboxypeptidase A Inhibited by a Thiirane Mechanism-Based inactivator | Descriptor: | (2S,3R)-2-benzyl-3-sulfanylbutanoic acid, Carboxypeptidase A1 (Pancreatic), GLYCEROL, ... | Authors: | Fernandez, D. | Deposit date: | 2009-06-28 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.391 Å) | Cite: | The X-ray structure of carboxypeptidase A inhibited by a thiirane mechanism-based inhibitor Chem.Biol.Drug Des., 75, 2010
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3HUV
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7RAD
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![BU of 7rad by Molmil](/molmil-images/mine/7rad) | Crystal Structure Analysis of ALDH1B1 | Descriptor: | 1,2-ETHANEDIOL, 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine, Aldehyde dehydrogenase X, ... | Authors: | Fernandez, D, Chen, J.K. | Deposit date: | 2021-07-01 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inhibitors targeted to aldehyde dehydrogenase Nat.Chem.Biol., 2022
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7SCI
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![BU of 7sci by Molmil](/molmil-images/mine/7sci) | AM0627 metallopeptidase from Akkermansia muciniphila | Descriptor: | CHLORIDE ION, FORMIC ACID, Peptidase M60 domain-containing protein, ... | Authors: | Fernandez, D, Bertozzi, C.R, Shon, D.J. | Deposit date: | 2021-09-28 | Release date: | 2022-04-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided mutagenesis of a mucin-selective metalloprotease from Akkermansia muciniphila alters substrate preferences. J.Biol.Chem., 298, 2022
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2V77
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![BU of 2v77 by Molmil](/molmil-images/mine/2v77) | Crystal Structure of Human Carboxypeptidase A1 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARBOXYPEPTIDASE A1, OCTANE-1,3,5,7-TETRACARBOXYLIC ACID, ... | Authors: | Pallares, I, Fernandez, D, Comellas-Bigler, M, Fernandez-Recio, J, Ventura, S, Aviles, F.X, Vendrell, J. | Deposit date: | 2007-07-27 | Release date: | 2008-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.603 Å) | Cite: | Direct interaction between a human digestive protease and the mucoadhesive poly(acrylic acid). Acta Crystallogr. D Biol. Crystallogr., D64, 2008
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