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7XN4
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BU of 7xn4 by Molmil
Cryo-EM structure of CopC-CaM-caspase-3 with NAD+
Descriptor: Arginine ADP-riboxanase CopC, Calmodulin-1, Caspase-3, ...
Authors:Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S.
Deposit date:2022-04-28
Release date:2022-12-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin.
Mol.Cell, 82, 2022
7XN5
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BU of 7xn5 by Molmil
Cryo-EM structure of CopC-CaM-caspase-3 with ADPR
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Arginine ADP-riboxanase CopC, Calmodulin-1, ...
Authors:Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S.
Deposit date:2022-04-28
Release date:2022-12-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin.
Mol.Cell, 82, 2022
7D7L
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BU of 7d7l by Molmil
The crystal structure of SARS-CoV-2 papain-like protease in complex with YM155
Descriptor: 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione, CAFFEINE, GLYCEROL, ...
Authors:Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H.
Deposit date:2020-10-04
Release date:2021-04-21
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
7V8G
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BU of 7v8g by Molmil
Crystal structure of HOIP RING1 domain bound to IpaH1.4 LRR domain
Descriptor: E3 ubiquitin-protein ligase RNF31, RING-type E3 ubiquitin transferase, ZINC ION
Authors:Liu, J, Wang, Y, Pan, L.
Deposit date:2021-08-23
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri.
Proc.Natl.Acad.Sci.USA, 119, 2022
7V8E
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BU of 7v8e by Molmil
Crystal structure of IpaH1.4 LRR domain bound to HOIL-1L UBL domain.
Descriptor: RING-type E3 ubiquitin transferase, RanBP-type and C3HC4-type zinc finger-containing protein 1
Authors:Liu, J, Wang, Y, Pan, L.
Deposit date:2021-08-22
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri.
Proc.Natl.Acad.Sci.USA, 119, 2022
7V8F
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BU of 7v8f by Molmil
Crystal structure of UBE2L3 bound to HOIP RING1 domain.
Descriptor: E3 ubiquitin-protein ligase RNF31, Ubiquitin-conjugating enzyme E2 L3, ZINC ION
Authors:Liu, J, Wang, Y, Pan, L.
Deposit date:2021-08-22
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri.
Proc.Natl.Acad.Sci.USA, 119, 2022
7V8H
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BU of 7v8h by Molmil
Crystal structure of LRR domain from Shigella flexneri IpaH1.4
Descriptor: RING-type E3 ubiquitin transferase
Authors:Liu, J, Wang, Y, Pan, L.
Deposit date:2021-08-23
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri.
Proc.Natl.Acad.Sci.USA, 119, 2022
6CT5
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BU of 6ct5 by Molmil
PptT PAP(CoA) 8918 complex
Descriptor: 4'-phosphopantetheinyl transferase, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J, Sacchettini, J, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-03-22
Release date:2019-02-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.759346 Å)
Cite:Opposing reactions in coenzyme A metabolism sensitizeMycobacterium tuberculosisto enzyme inhibition.
Science, 363, 2019
7XN6
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BU of 7xn6 by Molmil
Cryo-EM structure of CopC-CaM-caspase-3 with ADPR-deacylization
Descriptor: Arginine ADP-riboxanase CopC, Calmodulin-1, Caspase-3, ...
Authors:Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S.
Deposit date:2022-04-28
Release date:2022-12-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin.
Mol.Cell, 82, 2022
7XZD
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BU of 7xzd by Molmil
Mutant (F179A) of the N-terminal domain of fucoidan lyase FdlA
Descriptor: Fucoidan lyase, IMIDAZOLE
Authors:Wang, J, Li, M, Pan, X.
Deposit date:2022-06-02
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Biochemical Analysis Reveals Catalytic Mechanism of Fucoidan Lyase from Flavobacterium sp. SA-0082.
Mar Drugs, 20, 2022
7XZ8
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BU of 7xz8 by Molmil
Mutant (K141A) of the N-terminal domain of fucoidan lyase FdlA
Descriptor: Fucoidan lyase
Authors:Wang, J, Li, M, Pan, X.
Deposit date:2022-06-02
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural and Biochemical Analysis Reveals Catalytic Mechanism of Fucoidan Lyase from Flavobacterium sp. SA-0082.
Mar Drugs, 20, 2022
7XZB
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BU of 7xzb by Molmil
Mutant (Y242A) of the N-terminal domain of fucoidan lyase FdlA
Descriptor: Fucoidan lyase, SULFATE ION
Authors:Wang, J, Li, M, Pan, X.
Deposit date:2022-06-02
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and Biochemical Analysis Reveals Catalytic Mechanism of Fucoidan Lyase from Flavobacterium sp. SA-0082.
Mar Drugs, 20, 2022
7XZA
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BU of 7xza by Molmil
Mutant (Y242F) of the N-terminal domain of fucoidan lyase FdlA
Descriptor: Fucoidan lyase FdlA
Authors:Wang, J, Li, M, Pan, X.
Deposit date:2022-06-02
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural and Biochemical Analysis Reveals Catalytic Mechanism of Fucoidan Lyase from Flavobacterium sp. SA-0082.
Mar Drugs, 20, 2022
7XZE
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BU of 7xze by Molmil
Mutant (H176A) of the N-terminal domain of fucoidan lyase FdlA
Descriptor: Fucoidan lyase, IMIDAZOLE, SULFATE ION
Authors:Wang, J, Li, M, Pan, X.
Deposit date:2022-06-02
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Biochemical Analysis Reveals Catalytic Mechanism of Fucoidan Lyase from Flavobacterium sp. SA-0082.
Mar Drugs, 20, 2022
7XZ7
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BU of 7xz7 by Molmil
Mutant (D137A) of the N-terminal domain of fucoidan lyase FdlA
Descriptor: Fucoidan lyase
Authors:Wang, J, Li, M, Pan, X.
Deposit date:2022-06-02
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural and Biochemical Analysis Reveals Catalytic Mechanism of Fucoidan Lyase from Flavobacterium sp. SA-0082.
Mar Drugs, 20, 2022
7XWU
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BU of 7xwu by Molmil
Ketoreductase CpKR mutant - M1
Descriptor: DI(HYDROXYETHYL)ETHER, Epimerase domain-containing protein, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Chen, C, Zheng, Y.C, Pan, J, Xu, J.H.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Computational Redesign of a robust Ketoreductase for Asymmetric Synthesis of Enantiopure diltiazem precursor.
To Be Published
7Y0K
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BU of 7y0k by Molmil
Crystal structure of CpKR in complex with NADPH complex from Candida parapsilosis
Descriptor: Epimerase domain-containing protein, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Chen, C, Pan, J, Xu, J.H.
Deposit date:2022-06-05
Release date:2023-06-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Computational Redesign of a robust Ketoreductase for Asymmetric Synthesis of Enantiopure diltiazem precursor.
To Be Published
2FMH
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BU of 2fmh by Molmil
Crystal structure of Mg2+ and BeF3- bound CheY in complex with CheZ 200-214 solved from a F432 crystal grown in Tris (pH 8.4)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BERYLLIUM TRIFLUORIDE ION, C-terminal 15-mer from Chemotaxis protein cheZ, ...
Authors:Guhaniyogi, J, Robinson, V.L, Stock, A.M.
Deposit date:2006-01-09
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Crystal Structures of Beryllium Fluoride-free and Beryllium Fluoride-bound CheY in Complex with the Conserved C-terminal Peptide of CheZ Reveal Dual Binding Modes Specific to CheY Conformation.
J.Mol.Biol., 359, 2006
6RA6
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BU of 6ra6 by Molmil
Ferric murine neuroglobin Gly-loop44-47/F106A mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Exertier, C, Freda, I, Montemiglio, L.C, Savino, C, Vallone, B.
Deposit date:2019-04-05
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lack of orientation selectivity of the heme insertion in murine neuroglobin revealed by resonance Raman spectroscopy.
Febs J., 287, 2020
1M8U
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BU of 1m8u by Molmil
Crystal Structure of Bovine gamma-E at 1.65 Ang Resolution
Descriptor: gamma-E
Authors:Mayer, C, Agueznay, N, Skouri-Panet, F, Prat, K, Putilina, T, Biarrotte-Sorin, S, Tardieu, A.
Deposit date:2002-07-26
Release date:2003-08-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Bovine gamma-E
To be Published
4FLQ
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BU of 4flq by Molmil
Crystal structure of Amylosucrase double mutant A289P-F290I from Neisseria polysaccharea.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amylosucrase, GLYCEROL, ...
Authors:Guerin, F, Champion, E, Moulis, C, Barbe, S, Tran, T.H, Morel, S, Descroix, K, Monsan, P, Mulard, L.A, Remaud-Simeon, M, Andre, I, Mourey, L, Tranier, S.
Deposit date:2012-06-15
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Applying pairwise combinations of amino Acid mutations for sorting out highly efficient glucosylation tools for chemo-enzymatic synthesis of bacterial oligosaccharides.
J.Am.Chem.Soc., 134, 2012
3UCQ
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BU of 3ucq by Molmil
Crystal structure of amylosucrase from Deinococcus geothermalis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amylosucrase, GLYCEROL
Authors:Guerin, F, Pizzut-Serin, S, Guillet, V, Mourey, L, Potocki-Veronese, G, Remaud-Simeon, M, Andre, I, Tranier, S.
Deposit date:2011-10-27
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Investigation of the Thermostability and Product Specificity of Amylosucrase from the Bacterium Deinococcus geothermalis.
J.Biol.Chem., 287, 2012
4FLO
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BU of 4flo by Molmil
Crystal structure of Amylosucrase double mutant A289P-F290C from Neisseria polysaccharea
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amylosucrase, GLYCEROL, ...
Authors:Guerin, F, Champion, E, Moulis, C, Barbe, S, Tran, T.H, Morel, S, Descroix, K, Monsan, P, Mulard, L.A, Remaud-Simeon, M, Andre, I, Mourey, L, Tranier, S.
Deposit date:2012-06-15
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Applying pairwise combinations of amino Acid mutations for sorting out highly efficient glucosylation tools for chemo-enzymatic synthesis of bacterial oligosaccharides.
J.Am.Chem.Soc., 134, 2012
6S0E
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BU of 6s0e by Molmil
Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with N-Acetyl-2,3-dehydro-2-deoxyneuraminic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, ACETATE ION, ...
Authors:Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J.
Deposit date:2019-06-14
Release date:2019-11-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action.
Nat Commun, 10, 2019
3UJT
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BU of 3ujt by Molmil
Structure of the Fab fragment of Ab-52, an antibody that binds the O-antigen of Francisella tularensis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ab-52 heavy chain, Ab-52 light chain, ...
Authors:Rynkiewicz, M.J, Lu, Z, Hui, J.H, Sharon, J, Seaton, B.A.
Deposit date:2011-11-08
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis of a Protective Epitope of the Francisella tularensis O-Polysaccharide.
Biochemistry, 51, 2012

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