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1CBX
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BU of 1cbx by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN CARBOXYPEPTIDASE A AND THE BIPRODUCT ANALOG INHIBITOR L-BENZYLSUCCINATE AT 2.0 ANGSTROMS RESOLUTION
Descriptor: CARBOXYPEPTIDASE A, L-BENZYLSUCCINIC ACID, ZINC ION
Authors:Mangani, S, Carloni, P, Orioli, P.
Deposit date:1991-10-31
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the complex between carboxypeptidase A and the biproduct analog inhibitor L-benzylsuccinate at 2.0 A resolution.
J.Mol.Biol., 223, 1992
3FCZ
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BU of 3fcz by Molmil
Adaptive protein evolution grants organismal fitness by improving catalysis and flexibility
Descriptor: Beta-lactamase 2, ZINC ION
Authors:Tomatis, P, Fabiane, S, Simona, F, Carloni, P, Sutton, B, Vila, A.
Deposit date:2008-11-24
Release date:2008-12-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.804 Å)
Cite:Adaptive protein evolution grants organismal fitness by improving catalysis and flexibility.
Proc.Natl.Acad.Sci.USA, 105, 2008
7PHZ
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BU of 7phz by Molmil
Crystal structure of X77 bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in spacegroup P2(1)2(1)2(1).
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2021-08-19
Release date:2022-09-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
7P0O
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BU of 7p0o by Molmil
mitoNEET bound to M1 molecule
Descriptor: 2-benzamido-4-[(2~{R})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid, 2-benzamido-4-[(2~{S})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid, CDGSH iron-sulfur domain-containing protein 1, ...
Authors:Livnah, O, Eisenberg-Domovich, Y, Marjault, H.B, Nechushtai, R.
Deposit date:2021-06-30
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:An anti-diabetic drug targets NEET (CISD) proteins through destabilization of their [2Fe-2S] clusters.
Commun Biol, 5, 2022
7P0P
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BU of 7p0p by Molmil
NAF-1 bound to M1 molecule
Descriptor: 2-benzamido-4-[(2~{R})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid, CDGSH iron-sulfur domain-containing protein 2, FE2/S2 (INORGANIC) CLUSTER
Authors:Livnah, O, Eisenberg-Domovich, Y, Marjault, H.B, Nechushtai, R.
Deposit date:2021-06-30
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:An anti-diabetic drug targets NEET (CISD) proteins through destabilization of their [2Fe-2S] clusters.
Commun Biol, 5, 2022
8P58
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BU of 8p58 by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 500 micromolar X77 enantiomer R.
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-05-23
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
8P86
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BU of 8p86 by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM MG-132, from an "old" crystal.
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-05-31
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
8P57
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BU of 8p57 by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar X77.
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-05-23
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
8P5A
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BU of 8p5a by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer R.
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-05-23
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
8P55
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BU of 8p55 by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar MG-132.
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-05-23
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
8P87
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BU of 8p87 by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM X77, from an "old" crystal.
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-05-31
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
8P56
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BU of 8p56 by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 150 micromolar X77.
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-05-23
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
8P5C
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BU of 8p5c by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer S.
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-05-23
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
8P54
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BU of 8p54 by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 150 micromolar MG-132.
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-05-23
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
8P5B
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BU of 8p5b by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 500 micromolar X77 enantiomer S.
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-05-23
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
8AYQ
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BU of 8ayq by Molmil
NaK C-DI mutant with Rb+ and Ca2+
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Minniberger, S, Plested, A.J.R.
Deposit date:2022-09-02
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Mechanism of Calcium Permeation in a Glutamate Receptor Ion Channel.
J.Chem.Inf.Model., 63, 2023
8AYP
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BU of 8ayp by Molmil
NaK C-DI mutant with Rb+ and Ba2+
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BARIUM ION, Potassium channel protein, ...
Authors:Minniberger, S, Plested, A.J.R.
Deposit date:2022-09-02
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of Calcium Permeation in a Glutamate Receptor Ion Channel.
J.Chem.Inf.Model., 63, 2023
8Q2E
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BU of 8q2e by Molmil
The 1.68-A X-ray crystal structure of Sporosarcina pasteurii urease inhibited by thiram and bound to dimethylditiocarbamate
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
Authors:Mazzei, L, Cianci, M, Ciurli, S.
Deposit date:2023-08-02
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Kinetic and structural details of urease inactivation by thiuram disulphides.
J.Inorg.Biochem., 250, 2023

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