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3I2V
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BU of 3i2v by Molmil
Crystal structure of human MOCS3 rhodanese-like domain
Descriptor: Adenylyltransferase and sulfurtransferase MOCS3
Authors:Bacik, J.P, Walker, J.R, Lopez, L, Li, Y, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2009-06-29
Release date:2009-07-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of the human MOCS3 rhodanese-like domain
To be Published
7QYF
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BU of 7qyf by Molmil
Structure of the transaminase PluriZyme variant (TR2E2)
Descriptor: Aminotransferase TR2
Authors:Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V.
Deposit date:2022-01-28
Release date:2023-07-26
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew Chem Int Ed Engl, 61, 2022
7QYG
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BU of 7qyg by Molmil
Structure of the transaminase TR2
Descriptor: Aminotransferase TR2
Authors:Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V.
Deposit date:2022-01-28
Release date:2023-08-16
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew Chem Int Ed Engl, 61, 2022
7QX0
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BU of 7qx0 by Molmil
Transaminase Structure of Plurienzyme (Tr2E2) in complex with PLP
Descriptor: Aminotransferase TR2, PYRIDOXAL-5'-PHOSPHATE
Authors:Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V.
Deposit date:2022-01-26
Release date:2023-08-16
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew Chem Int Ed Engl, 61, 2022
7QX3
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BU of 7qx3 by Molmil
Structure of the transaminase TR2E2 with EOS
Descriptor: 2-azanylethyl hydrogen sulfate, Aminotransferase TR2
Authors:Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V.
Deposit date:2022-01-26
Release date:2023-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew.Chem.Int.Ed.Engl., 61, 2022
8CJP
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BU of 8cjp by Molmil
JzTx-34 toxin peptide H18A mutant
Descriptor: Mu-theraphotoxin-Cg1a
Authors:Landon, C, Meudal, H.
Deposit date:2023-02-13
Release date:2023-07-26
Method:SOLUTION NMR
Cite:Structure-function relationship of new peptides activating human Na v 1.1.
Biomed Pharmacother, 165, 2023
8CJR
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BU of 8cjr by Molmil
JzTx-34 toxin peptide W25A mutant
Descriptor: Mu-theraphotoxin-Cg1a
Authors:Landon, C, Meudal, H.
Deposit date:2023-02-13
Release date:2023-07-26
Method:SOLUTION NMR
Cite:Structure-function relationship of new peptides activating human Na v 1.1.
Biomed Pharmacother, 165, 2023
8CJS
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BU of 8cjs by Molmil
JzTx-34 toxin peptide W31A mutant
Descriptor: Mu-theraphotoxin-Cg1a
Authors:Landon, C, Meudal, H.
Deposit date:2023-02-13
Release date:2023-07-26
Method:SOLUTION NMR
Cite:Structure-function relationship of new peptides activating human Na v 1.1.
Biomed Pharmacother, 165, 2023
8CJQ
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BU of 8cjq by Molmil
JzTx-34 toxin peptide E20A mutant
Descriptor: Mu-theraphotoxin-Cg1a
Authors:Landon, C, Meudal, H.
Deposit date:2023-02-13
Release date:2023-07-26
Method:SOLUTION NMR
Cite:Structure-function relationship of new peptides activating human Na v 1.1.
Biomed Pharmacother, 165, 2023
8CIQ
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BU of 8ciq by Molmil
JzTx-34 toxin peptide
Descriptor: Mu-theraphotoxin-Cg1a
Authors:Landon, C, Meudal, H.
Deposit date:2023-02-10
Release date:2023-07-26
Method:SOLUTION NMR
Cite:Structure-function relationship of new peptides activating human Na v 1.1.
Biomed Pharmacother, 165, 2023
8CJT
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BU of 8cjt by Molmil
JzTx-34 toxin peptide W33A mutant
Descriptor: Mu-theraphotoxin-Cg1a
Authors:Landon, C, Meudal, H.
Deposit date:2023-02-13
Release date:2023-07-26
Method:SOLUTION NMR
Cite:Structure-function relationship of new peptides activating human Na v 1.1.
Biomed Pharmacother, 165, 2023
7M7V
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BU of 7m7v by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with Compound 6
Descriptor: 5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide, Polyketide synthase Pks13
Authors:Aggarwal, A, Sacchettini, J.C.
Deposit date:2021-03-29
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13; Evaluation toward a Preclinical Candidate for a Novel Antituberculosis Clinical Target.
J.Med.Chem., 65, 2022
7QI8
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BU of 7qi8 by Molmil
CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE AND INHIBITOR
Descriptor: 2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one, LYSINE, Lysine--tRNA ligase 1
Authors:Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S.
Deposit date:2021-12-14
Release date:2022-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
7QHN
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BU of 7qhn by Molmil
CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE and an inhibitor
Descriptor: 6-azanyl-2-cyclohexyl-4-fluoranyl-1~{H}-pyrrolo[3,4-c]pyridin-3-one, LYSINE, Lysine--tRNA ligase 1
Authors:Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S.
Deposit date:2021-12-13
Release date:2022-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
7QH8
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BU of 7qh8 by Molmil
CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE
Descriptor: GLYCEROL, LYSINE, Lysine--tRNA ligase 1
Authors:Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S.
Deposit date:2021-12-10
Release date:2022-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
8PC7
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BU of 8pc7 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF BIPYRIDINE PHOSPHONATE
Descriptor: DI(HYDROXYETHYL)ETHER, Esterase, GLYCEROL, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2023-06-09
Release date:2023-07-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Transforming an esterase into an enantioselective catecholase through bioconjugation of a versatile metal-chelating inhibitor.
Chem.Commun.(Camb.), 59, 2023
6RB0
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BU of 6rb0 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO COMPLEXED WITH A DERIVATIVE OF METHYL 4-NITROPHENYL HEXYLPHOSPHONATE
Descriptor: EH1AB1, GLYCEROL, methyl hydrogen (R)-hexylphosphonate
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2019-04-08
Release date:2019-12-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis
Nat Catal, 3, 2020
6RKY
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BU of 6rky by Molmil
STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO COMPLEXED WITH A DERIVATIVE OF BIPYRIDINE PHOSPHONATE
Descriptor: DI(HYDROXYETHYL)ETHER, EH1AB1, GLYCEROL, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2019-04-30
Release date:2019-12-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis
Nat Catal, 3, 2020
7ALZ
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BU of 7alz by Molmil
GqqA- a novel type of quorum quenching acylases
Descriptor: PHENYLALANINE, Prephenate dehydratase
Authors:Werner, N, Betzel, C.
Deposit date:2020-10-07
Release date:2021-08-04
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:The Komagataeibacter europaeus GqqA is the prototype of a novel bifunctional N-Acyl-homoserine lactone acylase with prephenate dehydratase activity.
Sci Rep, 11, 2021
7AM0
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BU of 7am0 by Molmil
GqqA- a novel type of quorum quenching acylases
Descriptor: PHENYLALANINE, Prephenate dehydratase
Authors:Werner, N, Betzel, C.
Deposit date:2020-10-07
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Komagataeibacter europaeus GqqA is the prototype of a novel bifunctional N-Acyl-homoserine lactone acylase with prephenate dehydratase activity.
Sci Rep, 11, 2021
6I8F
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BU of 6i8f by Molmil
STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO
Descriptor: DI(HYDROXYETHYL)ETHER, EH1AB1, GLYCEROL, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2018-11-20
Release date:2019-11-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis
Nat Catal, 3, 2020

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