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7QFB
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BU of 7qfb by Molmil
Crystal structure of Protein Phosphatase 1 in complex with PP1-binding peptide from PTG
Descriptor: GLYCEROL, MANGANESE (II) ION, Protein phosphatase 1 regulatory subunit 3C, ...
Authors:Semrau, M.S, Storici, P, Lolli, G.
Deposit date:2021-12-05
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular architecture of the glycogen- committed PP1/PTG holoenzyme.
Nat Commun, 13, 2022
7QQ1
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BU of 7qq1 by Molmil
X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with HEWL
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme, Rhodium, ...
Authors:Loreto, D, Merlino, A.
Deposit date:2022-01-05
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins.
Dalton Trans, 51, 2022
7QPZ
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BU of 7qpz by Molmil
X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with RNase A (4)
Descriptor: Ribonuclease pancreatic, cis-bis(mi2-acetato-O, O')-(mi2-trifluoroacetato-O, ...
Authors:Loreto, D, Merlino, A.
Deposit date:2022-01-05
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins.
Dalton Trans, 51, 2022
7QPW
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BU of 7qpw by Molmil
X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with RNase A (1)
Descriptor: (mi2-acetato-O, O')-hexaaquo-dirhodium (II), Ribonuclease pancreatic, ...
Authors:Loreto, D, Merlino, A.
Deposit date:2022-01-05
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins.
Dalton Trans, 51, 2022
7QPY
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BU of 7qpy by Molmil
X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with RNase A (3)
Descriptor: (mi2-acetato-O, O')-hexaaquo-dirhodium (II), Ribonuclease pancreatic, ...
Authors:Loreto, D, Merlino, A.
Deposit date:2022-01-05
Release date:2022-03-16
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins.
Dalton Trans, 51, 2022
7QM2
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BU of 7qm2 by Molmil
Crystal structure of the PP1/PTG/beta-cyclodextrin ternary complex
Descriptor: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Protein phosphatase 1 regulatory subunit 3C, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit
Authors:Semrau, M.S, Storici, P, Lolli, G.
Deposit date:2021-12-20
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.685 Å)
Cite:Molecular architecture of the glycogen- committed PP1/PTG holoenzyme.
Nat Commun, 13, 2022
7QQ0
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BU of 7qq0 by Molmil
X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with RNase A (2)
Descriptor: (mi2-acetato-O, O')-hexaaquo-dirhodium (II), RHODIUM(II) ION, ...
Authors:Loreto, D, Merlino, A.
Deposit date:2022-01-05
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins.
Dalton Trans, 51, 2022
8OKL
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BU of 8okl by Molmil
Crystal structure of F2F-2020185-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-03-28
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
8OKM
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BU of 8okm by Molmil
Crystal structure of F2F-2020197-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-03-28
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
8OKN
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BU of 8okn by Molmil
Crystal structure of F2F-2020198-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-03-28
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
8OKK
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BU of 8okk by Molmil
Crystal structure of F2F-2020184-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-03-28
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
8A5W
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BU of 8a5w by Molmil
Crystal structure of the human phosphoserine aminotransferase (PSAT) in complex with O-phosphoserine
Descriptor: (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid, (2~{S})-2-[[(~{R})-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]-3-phosphonooxy-propanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ...
Authors:Costanzi, E, Demitri, N, Ullah, R, Marchesan, F, Peracchi, A, Zangelmi, E, Storici, P, Campanini, B.
Deposit date:2022-06-16
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:L-serine biosynthesis in the human central nervous system: Structure and function of phosphoserine aminotransferase.
Protein Sci., 32, 2023
8A5V
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BU of 8a5v by Molmil
Crystal structure of the human phosposerine aminotransferase (PSAT)
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Phosphoserine aminotransferase, SULFATE ION
Authors:Costanzi, E, Demitri, N, Ullah, R, Marchesan, F, Peracchi, A, Zangelmi, E, Storici, P, Campanini, B.
Deposit date:2022-06-16
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:L-serine biosynthesis in the human central nervous system: Structure and function of phosphoserine aminotransferase.
Protein Sci., 32, 2023
7Q5E
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BU of 7q5e by Molmil
Crystal structure of F2F-2020209-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Descriptor: 3C-like proteinase, CHLORIDE ION, SODIUM ION, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2021-11-03
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Easy access to alpha-ketoamides as SARS-CoV-2 and MERS M pro inhibitors via the PADAM oxidation route.
Eur.J.Med.Chem., 244, 2022
7Q5F
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BU of 7q5f by Molmil
Crystal structure of F2F-2020216-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Descriptor: (S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 3C-like proteinase, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2021-11-03
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Easy access to alpha-ketoamides as SARS-CoV-2 and MERS M pro inhibitors via the PADAM oxidation route.
Eur.J.Med.Chem., 244, 2022
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