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7LL3
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BU of 7ll3 by Molmil
S-adenosylmethionine synthetase co-crystallized with UppNHp
Descriptor: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine, ...
Authors:Tan, L.L, Jackson, C.J.
Deposit date:2021-02-03
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
7LOW
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BU of 7low by Molmil
S-adenosylmethionine synthetase
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Tan, L.L, Jackson, C.J.
Deposit date:2021-02-10
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
7LOZ
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BU of 7loz by Molmil
S-adenosylmethionine synthetase
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Tan, L.L, Jackson, C.J.
Deposit date:2021-02-11
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
7LNN
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BU of 7lnn by Molmil
E. coli S-adenosyl methionine transferase co-crystallized with guanosine-5'-imidotriphosphate
Descriptor: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Tan, L.L, Jackson, C.J.
Deposit date:2021-02-08
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
7LO2
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BU of 7lo2 by Molmil
S-adenosylmethionine synthetase cocrystallized with CTP
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Tan, L.L, Jackson, C.J.
Deposit date:2021-02-09
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
6WUP
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BU of 6wup by Molmil
Crystal structure of an ancestral cyclohexadienyl dehydratase, AncCDT-5
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Ancestral cyclohexadienyl dehydratase, AncCDT-5, ...
Authors:Kaczmarski, J.A, Mahawaththa, M.C.
Deposit date:2020-05-05
Release date:2020-05-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Altered conformational sampling along an evolutionary trajectory changes the catalytic activity of an enzyme.
Nat Commun, 11, 2020
8CRU
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BU of 8cru by Molmil
PETase Ancestral Sequence Reconstruction 008
Descriptor: CITRIC ACID, Poly(ethylene terephthalate) hydrolase
Authors:Joho, Y, Royan, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
Deposit date:2022-05-11
Release date:2022-09-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Ancestral Sequence Reconstruction Identifies Structural Changes Underlying the Evolution of Ideonella sakaiensis PETase and Variants with Improved Stability and Activity.
Biochemistry, 62, 2023
8D4W
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BU of 8d4w by Molmil
Asymmetric ene-reduction of alpha,beta-unsaturated compounds using MSMEG_2850
Descriptor: Cell entry (Mce) related family protein, DI(HYDROXYETHYL)ETHER, GLYCEROL
Authors:Kang, S.W, Frkic, R.L, Jackson, C.
Deposit date:2022-06-02
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Asymmetric Ene-Reduction of alpha , beta-Unsaturated Compounds by F 420 -Dependent Oxidoreductases A Enzymes from Mycobacterium smegmatis .
Biochemistry, 62, 2023
7OQ6
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BU of 7oq6 by Molmil
Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION
Authors:Zhang, L, Zhang, S, Bechthold, A, Einsle, O.
Deposit date:2021-06-02
Release date:2022-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate.
Acta Pharm Sin B, 13, 2023
6N4A
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BU of 6n4a by Molmil
PII-like SbtB from Cyanobium sp PCC 7001 (apo)
Descriptor: PHOSPHATE ION, PII-like SbtB
Authors:Kaczmarski, J.A, Jackson, C.J.
Deposit date:2018-11-18
Release date:2019-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and function of SbtB from Cyanobium sp. 7001
Biorxiv, 2019
6NTB
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BU of 6ntb by Molmil
PII-like SbtB from Cyanobium sp PCC 7001 bound to ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, SbtB7001, ...
Authors:Kaczmarski, J.A, Jackson, C.J.
Deposit date:2019-01-28
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and function of SbtB from Cyanobium sp. 7001
Biorxiv, 2019
6UW1
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BU of 6uw1 by Molmil
The crystal structure of FbiA from Mycobacterium Smegmatis, Fo bound form
Descriptor: 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, CALCIUM ION, Phosphoenolpyruvate transferase
Authors:Grinter, R, Gillett, D, Cordero, P.R.F, Greening, C.
Deposit date:2019-11-04
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
6UW7
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BU of 6uw7 by Molmil
The crystal structure of FbiA from Mycobacterium smegmatis, Dehydro-F420-0 bound form
Descriptor: 2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxyprop-2-enoic acid, CALCIUM ION, GLYCEROL, ...
Authors:Grinter, R, Gillett, D, Cordero, P.R.F, Izore, T, Greening, C.
Deposit date:2019-11-04
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.342 Å)
Cite:Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
6UVX
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BU of 6uvx by Molmil
The crystal structure of FbiA from Mycobacterium Smegmatis, Apo state
Descriptor: CALCIUM ION, Phosphoenolpyruvate transferase
Authors:Grinter, R, Gillett, D, Cordero, P.R.F, Greening, C.
Deposit date:2019-11-04
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
6UW5
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BU of 6uw5 by Molmil
The crystal structure of FbiA from Mycobacterium smegmatis, GDP and Fo bound form
Descriptor: 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Grinter, R, Gillett, D, Cordero, P.R.F, Greening, C.
Deposit date:2019-11-04
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
6UW3
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BU of 6uw3 by Molmil
The crystal structure of FbiA from Mycobacterium Smegmatis, GDP Bound form
Descriptor: CALCIUM ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Grinter, R, Gillett, D, Cordero, P.R.F, Greening, C.
Deposit date:2019-11-04
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
6M7L
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BU of 6m7l by Molmil
Complex of OxyA with the X-domain from GPA biosynthesis
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase, Putative non-ribosomal peptide synthetase
Authors:Greule, A, Izore, T, Tailhades, J, Peschke, M, Schoppet, M, Ahmed, I, Kulik, A, Adamek, M, Ziemert, N, De Voss, J, Stegmann, E, Cryle, M.J.
Deposit date:2018-08-20
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.648297 Å)
Cite:Kistamicin biosynthesis reveals the biosynthetic requirements for production of highly crosslinked glycopeptide antibiotics.
Nat Commun, 10, 2019
8G3I
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BU of 8g3i by Molmil
Non-ribosomal PCP-C didomain (thioether stabilised glycolic acid) acceptor bound state
Descriptor: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide, PCP-C didomain
Authors:Ho, Y.T.C, Izore, T, Cryle, M.J.
Deposit date:2023-02-08
Release date:2023-06-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin
Front Catal, 3, 2023
8G3J
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BU of 8g3j by Molmil
Non-ribosomal PCP-C didomain R2577G (thioether stabilised glycolic acid) acceptor bound state
Descriptor: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide, PCP-C didomain
Authors:Ho, Y.T.C, Izore, T, Cryle, M.J.
Deposit date:2023-02-08
Release date:2023-06-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin
Front Catal, 3, 2023
8FX7
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BU of 8fx7 by Molmil
Non-ribosomal PCP-C didomain (ester stabilised leucine) acceptor bound state
Descriptor: 2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl L-leucinate, PCP-C didomain
Authors:Ho, Y.T.C, Cryle, M.J.
Deposit date:2023-01-24
Release date:2023-06-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Not always an innocent bystander: the impact of stabilised phosphopantetheine moieties when studying nonribosomal peptide biosynthesis.
Chem.Commun.(Camb.), 59, 2023
8FX6
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BU of 8fx6 by Molmil
Non-ribosomal PCP-C didomain (amide stabilised leucine) acceptor bound state
Descriptor: N-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]-L-leucinamide, PCP-C didomain
Authors:Ho, Y.T.C, Cryle, M.J.
Deposit date:2023-01-24
Release date:2023-06-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Not always an innocent bystander: the impact of stabilised phosphopantetheine moieties when studying nonribosomal peptide biosynthesis.
Chem.Commun.(Camb.), 59, 2023
3IIV
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BU of 3iiv by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
Descriptor: KE7 KE7_R7_1/3H, MAGNESIUM ION
Authors:Khersonsky, O, Dym, O, Tawfik, D.S.
Deposit date:2009-08-03
Release date:2010-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
3IIO
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BU of 3iio by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
Descriptor: KE07
Authors:Khersonsky, O, Dym, O, Tawfik, D.S.
Deposit date:2009-08-03
Release date:2010-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
3IIP
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BU of 3iip by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
Descriptor: KE7 R6 3/7F, POLYETHYLENE GLYCOL (N=34)
Authors:Khersonsky, O, Dym, O, Tawfik, D.S.
Deposit date:2009-08-03
Release date:2010-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
5V3B
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BU of 5v3b by Molmil
Human A20 OTU domain (WT) with acetamidylated C103
Descriptor: Tumor necrosis factor alpha-induced protein 3
Authors:Langley, D.B, Christ, D, Grey, S.
Deposit date:2017-03-07
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Denisovan, modern human and mouse TNFAIP3 alleles tune A20 phosphorylation and immunity.
Nat.Immunol., 20, 2019

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數據於2024-07-10公開中

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