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3EA3
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BU of 3ea3 by Molmil
Crystal Structure of the Y246S/Y247S/Y248S/Y251S Mutant of Phosphatidylinositol-Specific Phospholipase C from Bacillus Thuringiensis
Descriptor: 1-phosphatidylinositol phosphodiesterase, MANGANESE (II) ION
Authors:Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F.
Deposit date:2008-08-24
Release date:2009-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Modulation of Bacillus thuringiensis Phosphatidylinositol-specific Phospholipase C Activity by Mutations in the Putative Dimerization Interface.
J.Biol.Chem., 284, 2009
3EA2
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BU of 3ea2 by Molmil
Crystal Structure of the Myo-inositol bound Y247S/Y251S Mutant of Phosphatidylinositol-Specific Phospholipase C from Bacillus Thuringiensis
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, ZINC ION
Authors:Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F.
Deposit date:2008-08-24
Release date:2009-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Modulation of bacillus thuringiensis phosphatidylinositol-specific phospholipase C activity by mutations in the putative dimerization interface.
J.Biol.Chem., 284, 2009
3EA1
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BU of 3ea1 by Molmil
Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol-Specific Phospholipase C from Bacillus Thuringiensis
Descriptor: 1-phosphatidylinositol phosphodiesterase, ZINC ION
Authors:Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F.
Deposit date:2008-08-24
Release date:2009-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Modulation of bacillus thuringiensis phosphatidylinositol-specific phospholipase C activity by mutations in the putative dimerization interface.
J.Biol.Chem., 284, 2009
5GWT
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BU of 5gwt by Molmil
4-hydroxyisoleucine dehydrogenase mutant complexed with NADH and succinate
Descriptor: 4-hydroxyisolecuine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SUCCINIC ACID
Authors:Shi, X, Miyakawa, T, Nakamura, A, Tanokura, M.
Deposit date:2016-09-13
Release date:2017-10-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering a short-chain dehydrogenase/reductase for the stereoselective production of (2S,3R,4S)-4-hydroxyisoleucine with three asymmetric centers.
Sci Rep, 7, 2017
5GWR
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BU of 5gwr by Molmil
4-hydroxyisoleucine dehydrogenase complexed with NADH
Descriptor: 1,2-ETHANEDIOL, 4-hydroxyisolecuine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Shi, X, Miyakawa, T, Nakamura, A, Tanokura, M.
Deposit date:2016-09-13
Release date:2017-10-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Engineering a short-chain dehydrogenase/reductase for the stereoselective production of (2S,3R,4S)-4-hydroxyisoleucine with three asymmetric centers
Sci Rep, 7, 2017
5GWS
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BU of 5gws by Molmil
4-hydroxyisoleucine dehydrogenase complexed with NADH and succinate
Descriptor: 4-hydroxyisolecuine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SUCCINIC ACID
Authors:Shi, X, Miyakawa, T, Nakamura, A, Tanokura, M.
Deposit date:2016-09-13
Release date:2017-10-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Engineering a short-chain dehydrogenase/reductase for the stereoselective production of (2S,3R,4S)-4-hydroxyisoleucine with three asymmetric centers.
Sci Rep, 7, 2017
8GPE
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BU of 8gpe by Molmil
Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed penicillin G
Descriptor: (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, POTASSIUM ION, ...
Authors:Shi, X, Dai, Y, Zhang, Q, Liu, W.
Deposit date:2022-08-26
Release date:2023-08-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
8GPC
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BU of 8gpc by Molmil
Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed ampicillin
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, SODIUM ION, ...
Authors:Shi, X, Dai, Y, Zhang, Q, Liu, W.
Deposit date:2022-08-26
Release date:2023-08-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
8GPD
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BU of 8gpd by Molmil
Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed penicillin V
Descriptor: (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, POTASSIUM ION, ...
Authors:Shi, X, Dai, Y, Zhang, Q, Liu, W.
Deposit date:2022-08-26
Release date:2023-08-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
8I8F
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BU of 8i8f by Molmil
Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed compound 1
Descriptor: (2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, ZINC ION
Authors:Shi, X, Liu, W.
Deposit date:2023-02-04
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
1VPT
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BU of 1vpt by Molmil
AS11 VARIANT OF VACCINIA VIRUS PROTEIN VP39 IN COMPLEX WITH S-ADENOSYL-L-METHIONINE
Descriptor: S-ADENOSYLMETHIONINE, VP39
Authors:Hodel, A.E, Gershon, P.D, Shi, X, Quiocho, F.A.
Deposit date:1996-03-20
Release date:1996-08-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The 1.85 A structure of vaccinia protein VP39: a bifunctional enzyme that participates in the modification of both mRNA ends.
Cell(Cambridge,Mass.), 85, 1996
7ORR
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BU of 7orr by Molmil
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00022
Descriptor: 4-PHENYL-1H-IMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z.
Deposit date:2021-06-06
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
7ORV
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BU of 7orv by Molmil
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z.
Deposit date:2021-06-06
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
7ORU
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BU of 7oru by Molmil
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00221
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z.
Deposit date:2021-06-06
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
7ORW
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BU of 7orw by Molmil
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265
Descriptor: 1H-benzimidazol-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z.
Deposit date:2021-06-06
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
5GMJ
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BU of 5gmj by Molmil
Crystal Structure of GRASP55 GRASP domain in complex with JAM-B C-terminus
Descriptor: Golgi reassembly-stacking protein 2, Junctional adhesion molecule B
Authors:Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X.
Deposit date:2016-07-14
Release date:2017-05-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.986 Å)
Cite:Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis
PLoS Genet., 13, 2017
5GMI
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BU of 5gmi by Molmil
Crystal Structure of GRASP55 GRASP domain in complex with JAM-C C-terminus
Descriptor: Golgi reassembly-stacking protein 2, Junctional adhesion molecule C
Authors:Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X.
Deposit date:2016-07-14
Release date:2017-05-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis
PLoS Genet., 13, 2017
5GML
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BU of 5gml by Molmil
Crystal Structure of GRASP Domain of GRASP55 with N terminal extra residues
Descriptor: Golgi reassembly-stacking protein 2
Authors:Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X.
Deposit date:2016-07-14
Release date:2017-07-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.546 Å)
Cite:Structural relationship of the tandem PDZ tandem from Grasp55 and its implication in the unconventional secretion pathway
to be published
5A0E
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BU of 5a0e by Molmil
Crystal structure of cyclophilin D in complex with CsA analogue, JW47.
Descriptor: JW47, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE F, MITOCHONDRIAL
Authors:Warne, J, Pryce, G, Hill, J, Shi, X, Lenneras, F, Puentes, F, Kip, M, Hilditch, L, Walker, P, Simone, M, Chan, A.W.E, Towers, G, Coker, A.R, Duchen, M, Szabadkai, G, Baker, D, Selwood, D.L.
Deposit date:2015-04-19
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Selective Inhibition of the Mitochondrial Permeability Transition Pore Protects Against Neuro-Degeneration in Experimental Multiple Sclerosis.
J.Biol.Chem., 291, 2016
4TT4
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BU of 4tt4 by Molmil
Crystal structure of ATAD2A bromodomain complexed with H3(1-21)K14Ac peptide
Descriptor: ATPase family AAA domain-containing protein 2, CHLORIDE ION, Histone H3(1-21)K4Ac, ...
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-19
Release date:2014-12-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TT2
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BU of 4tt2 by Molmil
Crystal structure of ATAD2A bromodomain complexed with H4(1-20)K5Ac peptide
Descriptor: ATPase family AAA domain-containing protein 2, Histone H4K5Ac
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-19
Release date:2014-12-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TU6
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BU of 4tu6 by Molmil
Crystal structure of apo ATAD2A bromodomain with N1064 alternate conformation
Descriptor: ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-23
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TU4
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BU of 4tu4 by Molmil
Crystal structure of ATAD2A bromodomain complexed with 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoicacid
Descriptor: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ...
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-23
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TT6
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BU of 4tt6 by Molmil
Crystal structure of ATAD2A bromodomain double mutant N1063A-Y1064A in apo form
Descriptor: ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ...
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-19
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TTE
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BU of 4tte by Molmil
Crystal structure of ATAD2A bromodomain complexed with methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate
Descriptor: ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ...
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-20
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015

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