7BEC
 
 | | Unusual structural features in the adduct of dirhodium tetraacetate with lysozyme (5) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | | Authors: | Loreto, D, Ferraro, G, Merlino, A. | | Deposit date: | 2020-12-23 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
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7BY5
 | | Tetanus neurotoxin mutant-(H233A/E234Q/H237A/Y375F) | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Zhang, C.M, Imoto, Y, Fukuda, Y, Yamashita, E, Inoue, T. | | Deposit date: | 2020-04-21 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural flexibility of the tetanus neurotoxin revealed by crystallographic and solution scattering analyses.
J Struct Biol X, 5, 2021
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8W2C
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7BEB
 | | Unusual structural features in the adduct of dirhodium tetraacetate with lysozyme (4) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | | Authors: | Loreto, D, Ferraro, G, Merlino, A. | | Deposit date: | 2020-12-23 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
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7BE2
 | | X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (6) | | Descriptor: | ACETATE ION, GLYCEROL, Lysozyme, ... | | Authors: | Loreto, D, Merlino, A, Ferraro, G. | | Deposit date: | 2020-12-22 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
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7BE1
 | | X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (3) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | | Authors: | Loreto, D, Merlino, A, Ferraro, G. | | Deposit date: | 2020-12-22 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
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7BFB
 | | Crystal structure of ebselen covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | Descriptor: | 1,2-ETHANEDIOL, Main Protease, N-phenyl-2-selanylbenzamide, ... | | Authors: | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | | Deposit date: | 2021-01-02 | | Release date: | 2021-03-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of ebselen covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
To Be Published
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7BE7
 | | Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | | Deposit date: | 2020-12-22 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
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7BGP
 | | Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in absence of DTT. | | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | | Deposit date: | 2021-01-08 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
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5LDU
 | | Recombinant high-redox potential laccase from Basidiomycete Trametes hirsuta | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, GLYCEROL, ... | | Authors: | Polyakov, K.M, Fedorova, T.V, Loginov, D.S, Savinova, O.S, Lamzin, V.S, Koroleva, O.V. | | Deposit date: | 2016-06-27 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | First structure of recombinant high-redox potential laccase from Basidiomycete Trametes hirsuta.
To Be Published
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5G3L
 | | ESCHERICHIA COLI HEAT LABILE ENTEROTOXIN TYPE IIB B-PENTAMER COMPLEXED WITH SIALYLATED SUGAR | | Descriptor: | HEAT-LABILE ENTEROTOXIN IIB, B CHAIN, N-acetyl-alpha-neuraminic acid, ... | | Authors: | Zalem, D, Benktander, J, Ribeiro, J.P, Varrot, A, Lebens, M, Imberty, A, Teneberg, S. | | Deposit date: | 2016-04-29 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Biochemical and Structural Characterization of the Novel Sialic Acid-Binding Site of Escherichia Coli Heat-Labile Enterotoxin Lt-Iib.
Biochem.J., 473, 2016
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7BB2
 | | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.6A resolution (spacegroup P2(1)2(1)2(1)) | | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | | Deposit date: | 2020-12-16 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
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8TJJ
 | | SAM-dependent methyltransferase RedM bound to SAM | | Descriptor: | 1,2-ETHANEDIOL, POTASSIUM ION, RedM, ... | | Authors: | Daniel-Ivad, P, Ryan, K.S. | | Deposit date: | 2023-07-22 | | Release date: | 2023-12-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure of methyltransferase RedM that forms the dimethylpyrrolinium of the bisindole reductasporine.
J.Biol.Chem., 300, 2023
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8U2M
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7EHF
 | | Crystal structure of the aminoglycoside resistance methyltransferase NpmB1 | | Descriptor: | 1,2-ETHANEDIOL, 16S rRNA methyltransferase, CHLORIDE ION, ... | | Authors: | Kawai, A, Doi, Y. | | Deposit date: | 2021-03-29 | | Release date: | 2021-08-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Functional and Structural Characterization of Acquired 16S rRNA Methyltransferase NpmB1 Conferring Pan-Aminoglycoside Resistance.
Antimicrob.Agents Chemother., 65, 2021
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7EFL
 | | Crystal structure of the gastric proton pump K791S in (BYK)E2BeF state | | Descriptor: | (7R,8R,9S)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | | Authors: | Abe, K, Yamamoto, K, Irie, K. | | Deposit date: | 2021-03-22 | | Release date: | 2021-09-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Gastric proton pump with two occluded K + engineered with sodium pump-mimetic mutations.
Nat Commun, 12, 2021
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7EFM
 | | Crystal structure of the gastric proton pump K791S/E820D/Y340N in (BYK)E2BeF state | | Descriptor: | (7R,8R,9S)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | | Authors: | Abe, K, Yamamoto, K, Irie, K. | | Deposit date: | 2021-03-22 | | Release date: | 2021-09-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Gastric proton pump with two occluded K + engineered with sodium pump-mimetic mutations.
Nat Commun, 12, 2021
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2ZKB
 | | Urate oxidase complexed with 8-azaxanthine under 2.5 MPa oxygen pressure | | Descriptor: | 8-AZAXANTHINE, OXYGEN MOLECULE, SODIUM ION, ... | | Authors: | Colloc'h, N, Gabison, L, Chiadmi, M, Abraini, J.H, Prange, T. | | Deposit date: | 2008-03-14 | | Release date: | 2008-10-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Oxygen pressurized X-ray crystallography: probing the dioxygen binding site in cofactorless urate oxidase and implications for its catalytic mechanism.
Biophys.J., 95, 2008
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8WR2
 | | Crystal Structure of Human Pyridoxal Kinase with bound Luteolin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, DIMETHYL SULFOXIDE, ... | | Authors: | Fan, J, Zhu, Y. | | Deposit date: | 2023-10-12 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery and characterization of natural product luteolin as an effective inhibitor of human pyridoxal kinase.
Bioorg.Chem., 143, 2024
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7EFN
 | | Crystal structure of the gastric proton pump K791S/E820D/Y340N/E936V in (BYK)E2BeF state | | Descriptor: | (7R,8R,9S)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | | Authors: | Abe, K, Yamamoto, K, Irie, K. | | Deposit date: | 2021-03-22 | | Release date: | 2021-09-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Gastric proton pump with two occluded K + engineered with sodium pump-mimetic mutations.
Nat Commun, 12, 2021
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7BHN
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7BHK
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7BH5
 | | XFEL structure of the ertapenem-derived CTX-M-15 acylenzyme after mixing for 2 sec using a piezoelectric injector (PolyPico) | | Descriptor: | (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | | Deposit date: | 2021-01-10 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
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7BHM
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7BH7
 | | Room temperature, serial X-ray structure of the ertapenem-derived acylenzyme of CTX-M-15 (10 min soak) collected on fixed target chips at Diamond Light Source I24 | | Descriptor: | (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | | Deposit date: | 2021-01-10 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
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