8QOY
 
 | | Capsular polysaccharide synthesis multienzyme of Actinobacillus Pleuropneumoniae serotype 3 | | Descriptor: | SULFATE ION, TagF-like capsule polymerase Cps3D, ZINC ION | | Authors: | Di Domenico, V, Litschko, C, Schulze, J, Bethe, A, Cifuente, J.O, Marina, A, Budde, I, Mast, T.A, Sulewska, M, Berger, M, Buettner, F, Gerardy-Schahn, R, Fiebig, T, Guerin, M.E. | | Deposit date: | 2023-09-29 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Transition transferases prime bacterial capsule polymerization.
Nat.Chem.Biol., 2024
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8RZH
 | | ZgGH129 from Zobellia galactanivorans in complex with the inhibitor AD-DGJ (3,6-anhydro-D-1-deoxygalactonojirimycin). | | Descriptor: | (1~{R},4~{S},5~{R},8~{S})-6-oxa-2-azabicyclo[3.2.1]octane-4,8-diol, 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE, ... | | Authors: | Roret, T, Czjzek, M, Ficko-Blean, E. | | Deposit date: | 2024-02-12 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation.
Angew.Chem.Int.Ed.Engl., 2024
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8RZJ
 | | ZgGH129 from Zobellia galactanivorans in complex with the inhibitor ADG-IF (3,6-anhydro-D-galacto-isofagomine). | | Descriptor: | (1~{R},5~{R},8~{S})-6-oxa-3-azabicyclo[3.2.1]octan-8-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Roret, T, Czjzek, M, Ficko-Blean, E. | | Deposit date: | 2024-02-12 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation.
Angew.Chem.Int.Ed.Engl., 2024
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8RZI
 | | ZgGH129 from Zobellia galactanivorans soaked with 1,2-diF-ADG (3,6-Anhydro-2-deoxy-2-fluoro-a-D-galactopyranosyl fluoride) resulting in a trapped glycosyl-enzyme intermediate. | | Descriptor: | (1~{R},4~{S},5~{S},8~{S})-4-fluoranyl-2,6-dioxabicyclo[3.2.1]octan-8-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Roret, T, Czjzek, M, Ficko-Blean, E. | | Deposit date: | 2024-02-12 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation.
Angew.Chem.Int.Ed.Engl., 2024
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8RZG
 | | ZgGH129 from Zobellia galactanivorans soaked with the product of the reaction ADG (3,6-anhydro-D-galactose). | | Descriptor: | (1~{R},4~{S},5~{R},8~{S})-2,6-dioxabicyclo[3.2.1]octane-4,8-diol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Roret, T, Czjzek, M, Ficko-Blean, E. | | Deposit date: | 2024-02-12 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation.
Angew.Chem.Int.Ed.Engl., 2024
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8RS5
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8RWL
 | | Crystal structure of Methanopyrus kandleri malate dehydrogenase mutant 1 | | Descriptor: | CHLORIDE ION, GLYCEROL, Malate dehydrogenase, ... | | Authors: | Coquille, S, Roche, J, Engilberge, S, Girard, E, Madern, D. | | Deposit date: | 2024-02-05 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Navigating the conformational landscape of an enzyme. Stabilization of a low populated conformer by evolutionary mutations triggers Allostery into a non-allosteric enzyme.
To Be Published
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8RZK
 | | The Michaelis complex of ZgGH129 D486N from Zobellia galactanivorans with neo-b/k-oligo-carrageenan tetrasaccharide (beta-kappa neo-oligo-carrageenan DP4). | | Descriptor: | 1,2-ETHANEDIOL, 3,6-anhydro-alpha-D-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CHLORIDE ION, ... | | Authors: | Roret, T, Czjzek, M, Ficko-Blean, E. | | Deposit date: | 2024-02-12 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation.
Angew.Chem.Int.Ed.Engl., 2024
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6EQB
 | | HLA class I histocompatibility antigen | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ALA-ALA-GLY-ILE-GLY-ILE-LEU-THR-VAL, ... | | Authors: | Rizkallah, P.J, Cole, D.K. | | Deposit date: | 2017-10-12 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | TCR-induced alteration of primary MHC peptide anchor residue.
Eur.J.Immunol., 49, 2019
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8SS1
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8SRZ
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1N4C
 | | NMR Structure of the J-Domain and Clathrin Substrate Binding Domain of Bovine Auxilin | | Descriptor: | Auxilin | | Authors: | Gruschus, J.M, Han, C.J, Greener, T, Greene, L.E, Ferretti, J.A, Eisenberg, E. | | Deposit date: | 2002-10-30 | | Release date: | 2003-11-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the functional fragment of auxilin required for catalytic uncoating of clathrin-coated vesicles.
Biochemistry, 43, 2004
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6EQA
 | | HLA class I histocompatibility antigen | | Descriptor: | ALA-ALA-GLY-ILE-GLY-ILE-LEU-THR-VAL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Rizkallah, P.J, Cole, D.K. | | Deposit date: | 2017-10-12 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | TCR-induced alteration of primary MHC peptide anchor residue.
Eur.J.Immunol., 49, 2019
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1GWU
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7ZXV
 | | Orange Carotenoid Protein Trp-288 BTA mutant | | Descriptor: | CHLORIDE ION, Orange carotenoid-binding protein, beta,beta-caroten-4-one, ... | | Authors: | Moldenhauer, M, Tseng, H.-W, Kraskov, A, Tavraz, N.N, Hildebrandt, P, Hochberg, G, Essen, L.-O, Budisa, N, Korf, L, Maksimov, E.G, Friedrich, T. | | Deposit date: | 2022-05-23 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Parameterization of a single H-bond in Orange Carotenoid Protein by atomic mutation reveals principles of evolutionary design of complex chemical photosystems.
Front Mol Biosci, 10, 2023
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8BRN
 | | Crystal structure of red kidney bean purple acid phosphatase in complex with an alpha-aminonaphthylmethylphosphonic acid inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Feder, D, Hussein, W.M, Guddat, L.W, Schenk, G. | | Deposit date: | 2022-11-23 | | Release date: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Optimization of an alpha-aminonaphthylmethylphosphonic acid inhibitor of purple acid phosphatase using rational structure-based design approaches.
Eur.J.Med.Chem., 254, 2023
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2BPY
 | | HIV-1 protease-inhibitor complex | | Descriptor: | HIV-1 PROTEASE, N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE | | Authors: | Munshi, S, Chen, Z. | | Deposit date: | 1998-01-22 | | Release date: | 1999-02-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme.
Acta Crystallogr.,Sect.D, 54, 1998
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2BPX
 | | HIV-1 protease-inhibitor complex | | Descriptor: | HIV-1 PROTEASE, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | | Authors: | Munshi, S, Chen, Z. | | Deposit date: | 1998-01-22 | | Release date: | 1999-02-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme.
Acta Crystallogr.,Sect.D, 54, 1998
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2BPZ
 | | HIV-1 protease-inhibitor complex | | Descriptor: | HIV-1 PROTEASE, N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE | | Authors: | Munshi, S, Chen, Z. | | Deposit date: | 1998-01-22 | | Release date: | 1999-02-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme.
Acta Crystallogr.,Sect.D, 54, 1998
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8R8X
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8AY3
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8AY6
 | | X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-SB-HAB1 TERNARY COMPLEX | | Descriptor: | 1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide, Abscisic acid receptor PYL1, CHLORIDE ION, ... | | Authors: | Infantes, L, Albert, A. | | Deposit date: | 2022-09-02 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
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8AY8
 | | X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-iSB9-HAB1 TERNARY COMPLEX | | Descriptor: | Abscisic acid receptor PYL1, CHLORIDE ION, GLYCEROL, ... | | Authors: | Infantes, L, Albert, A. | | Deposit date: | 2022-09-02 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
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8AYA
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8AY9
 | | X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-ABA-HAB1 TERNARY COMPLEX | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL1, CHLORIDE ION, ... | | Authors: | Infantes, L, Albert, A. | | Deposit date: | 2022-09-02 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.281 Å) | | Cite: | Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
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