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5A12
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BU of 5a12 by Molmil
Crystal structure of Chlorite Dismutase from Magnetospirillum sp. in complex with azide
Descriptor: AZIDE ION, CHLORITE DISMUTASE, GLYCEROL, ...
Authors:Correia, H.D, Santos-Silva, T.
Deposit date:2015-04-27
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ligand Binding to Chlorite Dismutase from Magnetospirillum Sp.
J.Phys.Chem.B, 119, 2015
5A13
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BU of 5a13 by Molmil
Crystal structure of Chlorite Dismutase from Magnetospirillum sp. in complex with thiocyanate
Descriptor: CHLORITE DISMUTASE, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Correia, H.D, Santos-Silva, T.
Deposit date:2015-04-27
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ligand Binding to Chlorite Dismutase from Magnetospirillum Sp.
J.Phys.Chem.B, 119, 2015
7Q0X
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BU of 7q0x by Molmil
Bovine Trypsin co-crystallized with V(IV)OSO4 and pic
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C.
Deposit date:2021-10-16
Release date:2022-05-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
7Q0T
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BU of 7q0t by Molmil
Lysozyme soaked with V(IV)OSO4
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C.
Deposit date:2021-10-16
Release date:2022-05-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
7Q0U
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BU of 7q0u by Molmil
Lysozyme soaked with V(IV)OSO4 and bipy
Descriptor: 2,2'-bipyridine, ACETATE ION, CHLORIDE ION, ...
Authors:Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C.
Deposit date:2021-10-16
Release date:2022-05-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
7Q0V
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BU of 7q0v by Molmil
Lysozyme soaked with V(IV)OSO4 and phen
Descriptor: 1,10-PHENANTHROLINE, ACETATE ION, CHLORIDE ION, ...
Authors:Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C.
Deposit date:2021-10-16
Release date:2022-05-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
7Q0W
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BU of 7q0w by Molmil
Bovine Trypsin co-crystallized with V(IV)OSO4 and phen
Descriptor: 1,10-PHENANTHROLINE, CALCIUM ION, Cationic trypsin, ...
Authors:Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C.
Deposit date:2021-10-16
Release date:2022-05-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
2XJW
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BU of 2xjw by Molmil
Lysozyme-CO releasing molecule adduct
Descriptor: CARBON MONOXIDE, CHLORIDE ION, LYSOZYME C, ...
Authors:Santos-Silva, T, Mukhopadhyay, A, Romao, M.J.
Deposit date:2010-07-06
Release date:2011-01-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Corm-3 Reactivity Toward Proteins: The Crystal Structure of a Ru(II) Dicarbonyl-Lysozyme Complex.
J.Am.Chem.Soc., 133, 2011
6QIH
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BU of 6qih by Molmil
Pancreatic Bovine Trypsin with a boronic acid inhibitor
Descriptor: CALCIUM ION, Cationic trypsin, DI(HYDROXYETHYL)ETHER, ...
Authors:Santos-Silva, T, Correia, H.D.
Deposit date:2019-01-18
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Pancreatic Bovine Trypsin with a boronic acid inhibitor
To Be Published
6SDV
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BU of 6sdv by Molmil
W-formate dehydrogenase from Desulfovibrio vulgaris - Formate reduced form
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, Formate dehydrogenase, ...
Authors:Oliveira, A.R, Mota, C, Mourato, C, Domingos, R.M, Santos, M.F.A, Gesto, D, Guigliarelli, B, Santos-Silva, T, Romao, M.J, Pereira, I.C.
Deposit date:2019-07-29
Release date:2020-03-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Towards the mechanistic understanding of enzymatic CO2 reduction
Acs Catalysis, 2020
6SDR
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BU of 6sdr by Molmil
W-formate dehydrogenase from Desulfovibrio vulgaris - Oxidized form
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Formate dehydrogenase, alpha subunit, ...
Authors:Oliveira, A.R, Mota, C, Mourato, C, Domingos, R.M, Santos, M.F.A, Gesto, D, Guigliarelli, B, Santos-Silva, T, Romao, M.J, Pereira, I.C.
Deposit date:2019-07-29
Release date:2020-03-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Towards the mechanistic understanding of enzymatic CO2 reduction
Acs Catalysis, 2020
4C3W
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BU of 4c3w by Molmil
Vanadium(IV)-Picolinate Complexed with Lysozyme
Descriptor: ACETATE ION, CHLORIDE ION, LYSOZYME C, ...
Authors:Santos, M.F.A, Correia, I, Oliveira, A.R, Garribba, E, Pessoa, J.C, Romao, M.J, Santos-Silva, T.
Deposit date:2013-08-28
Release date:2014-07-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Vanadium Complexes as Prospective Therapeutics: Structural Characterization of a V(Iv) Lysozyme Adduct
Eur.J.Inorg.Chem., 21, 2014
1Z1N
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BU of 1z1n by Molmil
Crystal Structure of the sixteen heme cytochrome from Desulfovibrio gigas
Descriptor: 2-acetamido-2-deoxy-beta-D-allopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, HEME C, ...
Authors:Santos-Silva, T, Dias, J.M, Romao, M.J.
Deposit date:2005-03-04
Release date:2006-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the sixteen heme cytochrome from Desulfovibrio gigas
to be published
4C80
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BU of 4c80 by Molmil
Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with hydrogen peroxide
Descriptor: (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, BICARBONATE ION, ...
Authors:Correia, H.D, Romao, M.J, Santos-Silva, T.
Deposit date:2013-09-27
Release date:2014-01-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Kinetic and Structural Studies of Aldehyde Oxidoreductase from Desulfovibrio Gigas Reveal a Dithiolene-Based Chemistry for Enzyme Activation and Inhibition by H2O2.
Plos One, 8, 2013
4C7Z
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BU of 4c7z by Molmil
Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), activated with sodium dithionite and sodium sulfide
Descriptor: (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, BICARBONATE ION, ...
Authors:Correia, H.D, Romao, M.J, Santos-Silva, T.
Deposit date:2013-09-27
Release date:2014-01-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Kinetic and Structural Studies of Aldehyde Oxidoreductase from Desulfovibrio Gigas Reveal a Dithiolene-Based Chemistry for Enzyme Activation and Inhibition by H2O2.
Plos One, 8, 2013
4C7Y
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BU of 4c7y by Molmil
Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with sodium dithionite and sodium sulfide
Descriptor: (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, BICARBONATE ION, ...
Authors:Correia, H.D, Romao, M.J, Santos-Silva, T.
Deposit date:2013-09-27
Release date:2014-01-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Kinetic and Structural Studies of Aldehyde Oxidoreductase from Desulfovibrio Gigas Reveal a Dithiolene-Based Chemistry for Enzyme Activation and Inhibition by H2O2.
Plos One, 8, 2013
1Y07
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BU of 1y07 by Molmil
Crystal structure of the superoxide reductase from Treponema pallidum
Descriptor: FE (III) ION, MAGNESIUM ION, desulfoferrodoxin (rbo)
Authors:Santos-Silva, T, Trincao, J, Carvalho, A.L, Bonifacio, C, Auchere, F, Moura, J, Romao, M.J.
Deposit date:2004-11-15
Release date:2005-11-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The first crystal structure of class III superoxide reductase from Treponema pallidum.
J.Biol.Inorg.Chem., 11, 2006
8QTY
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BU of 8qty by Molmil
LytR LCP domain from Streptococcus dysgalactiae subs. dysgalactiae
Descriptor: Biofilm regulatory protein, SULFATE ION
Authors:Paquete-Ferreira, J, Romao, M.J, Santos-Silva, T.
Deposit date:2023-10-13
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights of an LCP protein-LytR-from Streptococcus dysgalactiae subs. dysgalactiae through biophysical and in silico methods.
Front Chem, 12, 2024
7Q8E
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BU of 7q8e by Molmil
Crystal Structure of the MurT-GatD Enzyme Complex from Staphylococcus aureus COL strain
Descriptor: CHLORIDE ION, Lipid II isoglutaminyl synthase (glutamine-hydrolyzing) subunit GatD, Lipid II isoglutaminyl synthase (glutamine-hydrolyzing) subunit MurT, ...
Authors:Leisico, F, Romao, M.J, Santos-Silva, T.
Deposit date:2021-11-11
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.90001726 Å)
Cite:Crystal Structure of the MurT-GatD Enzyme Complex from Staphylococcus aureus COL strain
To Be Published
1X1K
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BU of 1x1k by Molmil
Host-guest peptide (Pro-Pro-Gly)4-(Pro-alloHyp-Gly)-(Pro-Pro-Gly)4
Descriptor: Host-guest peptide (Pro-Pro-Gly)4-(Pro-alloHyp-Gly)-(Pro-Pro-Gly)4
Authors:Jiravanichanun, N, Hongo, C, Wu, G, Noguchi, K, Okuyama, K, Nishino, N, Silva, T.
Deposit date:2005-04-05
Release date:2005-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Unexpected puckering of hydroxyproline in the guest triplets, hyp-pro-gly and pro-allohyp-gly sandwiched between pro-pro-gly sequence
Chembiochem, 6, 2005
4B1A
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BU of 4b1a by Molmil
Crystal structure of lysozyme with Keggin molecule
Descriptor: CHLORIDE ION, LYSOZYME C, Phosphomolybdate keggin, ...
Authors:Mukhopadhyay, A, Silva, T.S, Romao, M.J, Romao, C.C.
Deposit date:2012-07-09
Release date:2013-02-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Characterization of a Versatile Organometallic Pro-Drug (Corm) for Experimental Co Based Therapeutics.
Dalton Trans, 42, 2013
4HYS
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BU of 4hys by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 4-(4-Indazol-1-yl-pyrimidin-2-ylamino)-cyclohexan
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, trans-4-{[4-(1H-indazol-1-yl)pyrimidin-2-yl]amino}cyclohexanol
Authors:Kuglstatter, A, Janson, C.
Deposit date:2012-11-14
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.415 Å)
Cite:Development of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): kinase profiling guided optimization of a 1,2,3-benzotriazole lead.
Bioorg.Med.Chem.Lett., 23, 2013
4IZY
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BU of 4izy by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 4-{4-[4-(4-Methanesulfonyl-piperidin-1-yl)-indol-1-yl]-pyrimidin-2-ylamino}-cyclohexan
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, trans-4-[(4-{4-[4-(methylsulfonyl)piperidin-1-yl]-1H-indol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
Authors:Kuglstatter, A, Shao, A.
Deposit date:2013-01-30
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of indole/indazole-aminopyrimidines as inhibitors of c-Jun N-terminal kinase (JNK): optimization for JNK potency and physicochemical properties.
Bioorg.Med.Chem.Lett., 23, 2013
4HYU
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BU of 4hyu by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 4-{4-[4-(3-Methanesulfonyl-propoxy)-indazol-1-yl]-pyrimidin-2-ylamino}-cyclohexan
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1H-indazol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2012-11-14
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:Development of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): kinase profiling guided optimization of a 1,2,3-benzotriazole lead.
Bioorg.Med.Chem.Lett., 23, 2013
5KEG
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BU of 5keg by Molmil
Crystal structure of APOBEC3A in complex with a single-stranded DNA
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*TP*TP*CP*TP*T)-3'), ...
Authors:Kouno, T, Hilbert, B.J, Silvas, T, Royer, W.E, Matsuo, H, Schiffer, C.A.
Deposit date:2016-06-09
Release date:2017-05-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity.
Nat Commun, 8, 2017
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