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7XKY
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BU of 7xky by Molmil
Crystal structure of Methanocaldococcus jannaschii two-subunit Fumarate hydratase apo-protein complex
Descriptor: Fumarate hydratase
Authors:Bellur, A, Jayaraman, V, Balaram, H.
Deposit date:2022-04-20
Release date:2023-02-08
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Revisiting the Burden Borne by Fumarase: Enzymatic Hydration of an Olefin.
Biochemistry, 62, 2023
7XLO
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BU of 7xlo by Molmil
Crystal Structure of the Catalytic Domain of Inosine Monophosphate Dehydrogenase (IMPDH) from Methanocaldococcus jannaschii
Descriptor: Inosine-5'-monophosphate dehydrogenase
Authors:Bellur, A, Sharma, P, Balaram, H.
Deposit date:2022-04-22
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of the Catalytic Domain of Inosine Monophosphate Dehydrogenase (IMPDH) from Methanocaldococcus jannaschii
To Be Published
6RB7
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BU of 6rb7 by Molmil
Ruminococcus gnavus sialic acid aldolase catalytic lysine mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, DI(HYDROXYETHYL)ETHER, ...
Authors:Owen, C.D, Bell, A, Juge, N, Walsh, M.A.
Deposit date:2019-04-09
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut.
Nat Microbiol, 4, 2019
6RAB
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BU of 6rab by Molmil
Ruminococcus gnavus sialic acid aldolase Wild Type
Descriptor: Putative N-acetylneuraminate lyase
Authors:Owen, C.D, Bell, A, Juge, N, Walsh, M.A.
Deposit date:2019-04-05
Release date:2019-09-25
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut.
Nat Microbiol, 4, 2019
6RD1
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BU of 6rd1 by Molmil
Ruminococcus gnavus sialic acid aldolase catalytic lysine mutant in complex with sialic acid
Descriptor: 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid, Putative N-acetylneuraminate lyase
Authors:Owen, C.D, Bell, A, Juge, N, Walsh, M.A.
Deposit date:2019-04-12
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut.
Nat Microbiol, 4, 2019
7D40
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BU of 7d40 by Molmil
Crystal structure of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
Descriptor: GMP synthase [glutamine-hydrolyzing] subunit A
Authors:Bellur, A, Dongre, A, Kumar, S, Balaram, H.
Deposit date:2020-09-21
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural basis for the hyperthermostability of an archaeal enzyme induced by succinimide formation.
Biophys.J., 120, 2021
7D96
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BU of 7d96 by Molmil
Crystal structure of D110G mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
Descriptor: GMP synthase [glutamine-hydrolyzing] subunit A
Authors:Bellur, A, Dongre, A, Aggarwal, R, Balaram, H.
Deposit date:2020-10-12
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural basis for the hyperthermostability of an archaeal enzyme induced by succinimide formation.
Biophys.J., 120, 2021
7D97
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BU of 7d97 by Molmil
Crystal structure of N109P mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
Descriptor: GMP synthase [glutamine-hydrolyzing] subunit A
Authors:Bellur, A, Dongre, A, Kavya, J, Balaram, H.
Deposit date:2020-10-12
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural basis for the hyperthermostability of an archaeal enzyme induced by succinimide formation.
Biophys.J., 120, 2021
7D95
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BU of 7d95 by Molmil
Crystal structure of acivicin-bound GATase subunit of Methanocaldococcus jannaschii GMP synthetase
Descriptor: GMP synthase [glutamine-hydrolyzing] subunit A
Authors:Bellur, A, Dongre, A, Kumar, S, Balaram, H.
Deposit date:2020-10-12
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural basis for the hyperthermostability of an archaeal enzyme induced by succinimide formation.
Biophys.J., 120, 2021
4QT2
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BU of 4qt2 by Molmil
Crystal Structure of the FK506-Binding Domain of Plasmodium Falciparum FKBP35 in complex with Rapamycin
Descriptor: FK506-binding protein (FKBP)-type peptidyl-propyl isomerase, IMIDAZOLE, RAPAMYCIN IMMUNOSUPPRESSANT DRUG
Authors:Bianchin, A, Allemand, F, Bell, A, Chubb, A.J, Guichou, J.-F.
Deposit date:2014-07-07
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Two crystal structures of the FK506-binding domain of Plasmodium falciparum FKBP35 in complex with rapamycin at high resolution
Acta Crystallogr.,Sect.D, 71, 2015
4QT3
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BU of 4qt3 by Molmil
Crystal structure resolution of Plasmodium falciparum FK506 binding domain (FKBP35) in complex with Rapamycin at 1.4A resolution
Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, FK506-binding protein (FKBP)-type peptidyl-propyl isomerase, RAPAMYCIN IMMUNOSUPPRESSANT DRUG
Authors:Bianchin, A, Allemand, F, Bell, A, Chubb, A.J, Guichou, J.-F.
Deposit date:2014-07-07
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Two crystal structures of the FK506-binding domain of Plasmodium falciparum FKBP35 in complex with rapamycin at high resolution
Acta Crystallogr.,Sect.D, 71, 2015
5TRU
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BU of 5tru by Molmil
Structure of the first-in-class checkpoint inhibitor Ipilimumab bound to human CTLA-4
Descriptor: Cytotoxic T-lymphocyte protein 4, Ipilimumab Fab heavy chain, Ipilimumab Fab light chain
Authors:Ramagopal, U.A, Liu, W, Garrett-Thomson, S.C, Yan, Q, Srinivasan, M, Wong, S.C, Bell, A, Mankikar, S, Rangan, V.S, Deshpande, S, Bonanno, J.B, Korman, A.J, Almo, S.C.
Deposit date:2016-10-27
Release date:2017-05-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for cancer immunotherapy by the first-in-class checkpoint inhibitor ipilimumab.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4P0D
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BU of 4p0d by Molmil
The T6 backbone pilin of serotype M6 Streptococcus pyogenes has a modular three-domain structure decorated with variable loops and extensions
Descriptor: CALCIUM ION, IODIDE ION, Trypsin-resistant surface T6 protein
Authors:Young, P.G, Moreland, N.J, Loh, J.M, Bell, A, Atatoa-Carr, P, Proft, T, Baker, E.N.
Deposit date:2014-02-20
Release date:2014-08-27
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Conservation, Variability, and Immunogenicity of the T6 Backbone Pilin of Serotype M6 Streptococcus pyogenes.
Infect.Immun., 82, 2014
1VYF
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BU of 1vyf by Molmil
schistosoma mansoni fatty acid binding protein in complex with oleic acid
Descriptor: 14 KDA FATTY ACID BINDING PROTEIN, OLEIC ACID
Authors:Angelucci, F, Johnson, K.A, Baiocco, P, Miele, A.E, Bellelli, A.
Deposit date:2004-04-29
Release date:2004-09-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Schistosoma Mansoni Fatty Acid Binding Protein: Specificity and Functional Control as Revealed by Crystallographic Structure
Biochemistry, 43, 2004
1VYG
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BU of 1vyg by Molmil
schistosoma mansoni fatty acid binding protein in complex with arachidonic acid
Descriptor: ARACHIDONIC ACID, FATTY ACID BINDING PROTEIN
Authors:Angelucci, F, Johnson, K.A, Baiocco, P, Miele, A.E, Bellelli, A.
Deposit date:2004-04-29
Release date:2004-09-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Schistosoma Mansoni Fatty Acid Binding Protein: Specificity and Functional Control as Revealed by Crystallographic Structure
Biochemistry, 43, 2004
7YC6
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BU of 7yc6 by Molmil
Crystal structure of D110P mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
Descriptor: GMP synthase [glutamine-hydrolyzing] subunit A, ZINC ION
Authors:Chandrashekarmath, A, Bellur, A.
Deposit date:2022-06-30
Release date:2023-06-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of D110P mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
To Be Published
8GR3
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BU of 8gr3 by Molmil
Crystal structure of K151L/Y158F mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
Descriptor: GMP synthase [glutamine-hydrolyzing] subunit A, SULFATE ION
Authors:Chandrashekarmath, A, Bellur, A.
Deposit date:2022-08-31
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of K151L/Y158F mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
To Be Published
8GR1
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BU of 8gr1 by Molmil
Crystal structure of D110V/K151L mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
Descriptor: GMP synthase [glutamine-hydrolyzing] subunit A, SULFATE ION
Authors:Chandrashekarmath, A, Bellur, A.
Deposit date:2022-08-31
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of D110V/K151L mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
To Be Published
2X99
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BU of 2x99 by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with NADPH
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Angelucci, F, Dimastrogiovanni, D, Boumis, G, Brunori, M, Miele, A.E, Saccoccia, F, Bellelli, A.
Deposit date:2010-03-15
Release date:2010-07-21
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mapping the Catalytic Cycle of Schistosoma Mansoni Thioredoxin Glutathione Reductase by X-Ray Crystallography
J.Biol.Chem., 285, 2010
2X8H
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BU of 2x8h by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with GSH
Descriptor: BETA-MERCAPTOETHANOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Angelucci, F, Dimastrogiovanni, D, Boumis, G, Brunori, M, Miele, A.E, Saccoccia, F, Bellelli, A.
Deposit date:2010-03-09
Release date:2010-07-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mapping the Catalytic Cycle of Schistosoma Mansoni Thioredoxin Glutathione Reductase by X-Ray Crystallography
J.Biol.Chem., 285, 2010
2X8C
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BU of 2x8c by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni with the reduced C-terminal end
Descriptor: DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, THIOREDOXIN GLUTATHIONE REDUCTASE, ...
Authors:Angelucci, F, Dimastrogiovanni, D, Boumis, G, Brunori, M, Miele, A.E, Saccoccia, F, Bellelli, A.
Deposit date:2010-03-08
Release date:2010-07-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mapping the Catalytic Cycle of Schistosoma Mansoni Thioredoxin Glutathione Reductase by X-Ray Crystallography
J.Biol.Chem., 285, 2010
2X8G
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BU of 2x8g by Molmil
Oxidized thioredoxin glutathione reductase from Schistosoma mansoni
Descriptor: DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Angelucci, F, Dimastrogiovanni, D, Boumis, G, Brunori, M, Miele, A.E, Saccoccia, F, Bellelli, A.
Deposit date:2010-03-09
Release date:2010-07-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mapping the Catalytic Cycle of Schistosoma Mansoni Thioredoxin Glutathione Reductase by X-Ray Crystallography
J.Biol.Chem., 285, 2010
1J7Y
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BU of 1j7y by Molmil
Crystal structure of partially ligated mutant of HbA
Descriptor: CARBON MONOXIDE, Hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Miele, A.E, Draghi, F, Arcovito, A, Bellelli, A, Brunori, M, Travaglini-Allocatelli, C, Vallone, B.
Deposit date:2001-05-19
Release date:2002-02-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Control of heme reactivity by diffusion: structural basis and functional characterization in hemoglobin mutants.
Biochemistry, 40, 2001
6GQJ
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BU of 6gqj by Molmil
Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 18)
Descriptor: 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide, Mast/stem cell growth factor receptor Kit
Authors:Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
2XBI
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BU of 2xbi by Molmil
Crystal structure of Schistosoma mansoni Thioredoxin at 1.6 Angstrom
Descriptor: GLYCEROL, THIOREDOXIN
Authors:Boumis, G, Miele, A.E, Dimastrogiovanni, D, Angelucci, F, Bellelli, A.
Deposit date:2010-04-12
Release date:2010-07-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Functional Characterization of Schistosoma Mansoni Thioredoxin.
Protein Sci., 20, 2011

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