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8C34
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BU of 8c34 by Molmil
Aerobic light exposed 1.8 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH
Descriptor: COBALAMIN, DI(HYDROXYETHYL)ETHER, Probable transcriptional regulator, ...
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C33
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BU of 8c33 by Molmil
Anaerobic light exposed 2.25 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH
Descriptor: BROMIDE ION, COBALAMIN, Probable transcriptional regulator
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C36
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BU of 8c36 by Molmil
Light-adapted 2.0 Angstrom crystal structure of H132A variant of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic conditions
Descriptor: COBALAMIN, Probable transcriptional regulator
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C37
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BU of 8c37 by Molmil
An intermediate light exposed 2.15 Angstrom crystal structure of H132A variant of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under anaerobic conditions
Descriptor: COBALAMIN, Probable transcriptional regulator
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C32
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BU of 8c32 by Molmil
Dark state 2.2 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under anaerobic condition
Descriptor: 5'-DEOXYADENOSINE, BROMIDE ION, COBALAMIN, ...
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C31
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BU of 8c31 by Molmil
Dark state 1.8 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic condition
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXYADENOSINE, BROMIDE ION, ...
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C35
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BU of 8c35 by Molmil
Dark state 2.1 Angstrom crystal structure of H132A variant of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, Probable transcriptional regulator
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
6G3G
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BU of 6g3g by Molmil
Crystal structure of EDDS lyase in complex with succinate
Descriptor: Argininosuccinate lyase, DI(HYDROXYETHYL)ETHER, SUCCINIC ACID
Authors:Poddar, H, Thunnissem, A.M.W.H, Poelarends, G.J.
Deposit date:2018-03-25
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.606 Å)
Cite:Structural Basis for the Catalytic Mechanism of Ethylenediamine- N, N'-disuccinic Acid Lyase, a Carbon-Nitrogen Bond-Forming Enzyme with a Broad Substrate Scope.
Biochemistry, 57, 2018
6G3E
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BU of 6g3e by Molmil
Crystal structure of EDDS lyase in complex with formate
Descriptor: Argininosuccinate lyase, FORMIC ACID, SODIUM ION
Authors:Poddar, H, Thunnissem, A.M.W.H, Poelarends, G.J.
Deposit date:2018-03-25
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for the Catalytic Mechanism of Ethylenediamine- N, N'-disuccinic Acid Lyase, a Carbon-Nitrogen Bond-Forming Enzyme with a Broad Substrate Scope.
Biochemistry, 57, 2018
6G3D
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BU of 6g3d by Molmil
Crystal structure of Native EDDS lyase
Descriptor: Argininosuccinate lyase
Authors:Poddar, H, Thunnissem, A.M.W.H, Poelarends, G.J.
Deposit date:2018-03-25
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.221 Å)
Cite:Structural Basis for the Catalytic Mechanism of Ethylenediamine- N, N'-disuccinic Acid Lyase, a Carbon-Nitrogen Bond-Forming Enzyme with a Broad Substrate Scope.
Biochemistry, 57, 2018
6G3I
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BU of 6g3i by Molmil
Crystal structure of EDDS lyase in complex with N-(2-aminoethyl)aspartic acid (AEAA)
Descriptor: (2~{S})-2-(2-azanylethylamino)butanedioic acid, Argininosuccinate lyase, FUMARIC ACID
Authors:Poddar, H, Thunnissem, A.M.W.H, Poelarends, G.J.
Deposit date:2018-03-25
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural Basis for the Catalytic Mechanism of Ethylenediamine- N, N'-disuccinic Acid Lyase, a Carbon-Nitrogen Bond-Forming Enzyme with a Broad Substrate Scope.
Biochemistry, 57, 2018
6G3F
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BU of 6g3f by Molmil
Crystal structure of EDDS lyase in complex with fumarate
Descriptor: Argininosuccinate lyase, DI(HYDROXYETHYL)ETHER, FUMARIC ACID
Authors:Poddar, H, Thunnissem, A.M.W.H, Poelarends, G.J.
Deposit date:2018-03-25
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.222 Å)
Cite:Structural Basis for the Catalytic Mechanism of Ethylenediamine- N, N'-disuccinic Acid Lyase, a Carbon-Nitrogen Bond-Forming Enzyme with a Broad Substrate Scope.
Biochemistry, 57, 2018
6G3H
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BU of 6g3h by Molmil
Crystal structure of EDDS lyase in complex with SS-EDDS
Descriptor: (2~{S})-2-[2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]ethylamino]butanedioic acid, Argininosuccinate lyase
Authors:Poddar, H, Thunnissem, A.M.W.H, Poelarends, G.J.
Deposit date:2018-03-25
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.269 Å)
Cite:Structural Basis for the Catalytic Mechanism of Ethylenediamine- N, N'-disuccinic Acid Lyase, a Carbon-Nitrogen Bond-Forming Enzyme with a Broad Substrate Scope.
Biochemistry, 57, 2018
4X1C
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BU of 4x1c by Molmil
Crystal structure of 4-OT from Pseudomonas putida mt-2 with an enamine adduct on the N-terminal proline at 1.7 Angstrom resolution
Descriptor: 2-hydroxymuconate tautomerase, COBALT HEXAMMINE(III)
Authors:Thunnissen, A.M.W.H, Poddar, H.
Deposit date:2014-11-24
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evidence for the Formation of an Enamine Species during Aldol and Michael-type Addition Reactions Promiscuously Catalyzed by 4-Oxalocrotonate Tautomerase.
Chembiochem, 16, 2015
4X19
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BU of 4x19 by Molmil
Crystal structure of native 4-OT from Pseudomonas putida mt-2 at 1.94 Angstrom
Descriptor: 2-hydroxymuconate tautomerase, COBALT HEXAMMINE(III)
Authors:Thunnissen, A.M.W.H, Poddar, H.
Deposit date:2014-11-24
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.944 Å)
Cite:Evidence for the Formation of an Enamine Species during Aldol and Michael-type Addition Reactions Promiscuously Catalyzed by 4-Oxalocrotonate Tautomerase.
Chembiochem, 16, 2015
4U5R
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BU of 4u5r by Molmil
Crystal structure of D106A mutant of RhCC (YP_702633.1) from Rhodococcus jostii RHA1 at 1.55 Angstrom
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, RhCC
Authors:Poddar, H, Rozeboom, H.J, Thunnissen, A.M.W.H.
Deposit date:2014-07-25
Release date:2015-02-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Functional and structural characterization of an unusual cofactor-independent oxygenase.
Biochemistry, 54, 2015
4U5P
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BU of 4u5p by Molmil
Crystal structure of native RhCC (YP_702633.1) from Rhodococcus jostii RHA1 at 1.78 Angstrom
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Poddar, H, Rozeboom, H.J, Thunnissen, A.M.W.H.
Deposit date:2014-07-25
Release date:2015-02-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.782 Å)
Cite:Functional and structural characterization of an unusual cofactor-independent oxygenase.
Biochemistry, 54, 2015
6RQ5
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BU of 6rq5 by Molmil
CYP121 in complex with 3,5-dimethyl dicyclotyrosine
Descriptor: (3~{S},6~{S})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ...
Authors:Poddar, H, Levy, C.
Deposit date:2019-05-15
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
6RQ3
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BU of 6rq3 by Molmil
CYP121 in complex with 2,6-dimethyl dicyclotyrosine
Descriptor: (3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ...
Authors:Poddar, H, Levy, C.
Deposit date:2019-05-15
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
6RQE
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BU of 6rqe by Molmil
CYP121 in complex with 3-acetylene dicyclotyrosine
Descriptor: 3-acetylene dicyclotyrosine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Poddar, H, Levy, C.
Deposit date:2019-05-15
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structure-Activity Relationships ofcyclo(l-Tyrosyl-l-tyrosine) Derivatives Binding toMycobacterium tuberculosisCYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
6RQ8
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BU of 6rq8 by Molmil
CYP121 in complex with 3-iodo dicyclotyrosine
Descriptor: (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ...
Authors:Poddar, H, Levy, C.
Deposit date:2019-05-15
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
6RQ0
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BU of 6rq0 by Molmil
CYP121 in complex with 3-methyl dicyclotyrosine
Descriptor: (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ...
Authors:Poddar, H, Levy, C.
Deposit date:2019-05-15
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
6RQD
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BU of 6rqd by Molmil
CYP121 in complex with 3-chloro dicyclotyrosine
Descriptor: (3~{S},6~{S})-3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Poddar, H, Levy, C.
Deposit date:2019-05-15
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
6RQ1
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BU of 6rq1 by Molmil
CYP121 in complex with 2-methyl dicyclotyrosine
Descriptor: (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ...
Authors:Poddar, H, Levy, C.
Deposit date:2019-05-15
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
6RQB
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BU of 6rqb by Molmil
CYP121 in complex with 3-bromo dicyclotyrosine
Descriptor: 3-bromo dicyclotyrosine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Poddar, H, Levy, C.
Deposit date:2019-05-15
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.459 Å)
Cite:Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019

 

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