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7OY8
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BU of 7oy8 by Molmil
Cryo-EM structure of the Rhodospirillum rubrum RC-LH1 complex
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, 2-azanyl-5-[(2~{E},6~{E},8~{E},10~{E},12~{E},14~{E},18~{E},22~{E},26~{E},30~{E},34~{E})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,8,10,12,14,18,22,26,30,34,38-dodecaenyl]-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione, ...
Authors:Qian, P, Croll, T.I, Castro, H.P, Moriarty, N.W, sader, K, Hunter, C.N.
Deposit date:2021-06-23
Release date:2021-09-22
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Cryo-EM structure of the Rhodospirillum rubrum RC-LH1 complex at 2.5 angstrom.
Biochem.J., 478, 2021
7P4M
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BU of 7p4m by Molmil
Structure of the quinolinate synthase Y107F variant in an empty open form
Descriptor: CHLORIDE ION, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ...
Authors:Volbeda, A.
Deposit date:2021-07-12
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Acs Chem.Biol., 16, 2021
7P4Q
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BU of 7p4q by Molmil
Structure of the quinolinate synthase S124A variant complexed with citrate
Descriptor: CHLORIDE ION, CITRATE ANION, FE3-S4 CLUSTER, ...
Authors:Volbeda, A.
Deposit date:2021-07-12
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Acs Chem.Biol., 16, 2021
7F0G
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BU of 7f0g by Molmil
Crystal Structure of EnPKS1
Descriptor: EnPKS1, SULFATE ION
Authors:Huang, S.X, Yan, Y.J.
Deposit date:2021-06-04
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Crystal Structure of EnPKS1
To Be Published
7P4P
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BU of 7p4p by Molmil
Structure of the quinolinate synthase A84L variant complexed with citrate
Descriptor: CHLORIDE ION, CITRATE ANION, IRON/SULFUR CLUSTER, ...
Authors:Volbeda, A.
Deposit date:2021-07-12
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Acs Chem.Biol., 16, 2021
7F08
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BU of 7f08 by Molmil
Crystal Structure of K8
Descriptor: COENZYME A, chalcone synthase
Authors:Huang, S.X, Yan, Y.J.
Deposit date:2021-06-03
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Crystal Structure of K8
To Be Published
7F27
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BU of 7f27 by Molmil
Crystal structure of polyketide ketosynthase
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) synthase
Authors:Kim, Y, Lee, W.C.
Deposit date:2021-06-10
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.806 Å)
Cite:Structural basis of the complementary activity of two ketosynthases in aryl polyene biosynthesis.
Sci Rep, 11, 2021
7F0E
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BU of 7f0e by Molmil
Crystal Structure of EnPKS2
Descriptor: EnPKS2
Authors:Huang, S.X, Yan, Y.J.
Deposit date:2021-06-03
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Crystal Structure of EnPKS2
To Be Published
4WQ4
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BU of 4wq4 by Molmil
E. coli YgjD(E12A)-YeaZ heterodimer in complex with ATP
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhang, W, Collinet, B.
Deposit date:2014-10-21
Release date:2015-01-28
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The ATP-mediated formation of the YgjD-YeaZ-YjeE complex is required for the biosynthesis of tRNA t6A in Escherichia coli.
Nucleic Acids Res., 43, 2015
7OKC
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BU of 7okc by Molmil
Crystal structure of Escherichia coli LpxA in complex with compound 1
Descriptor: 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, SODIUM ION
Authors:Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
Deposit date:2021-05-17
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
4X5K
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BU of 4x5k by Molmil
Human NAA50 complex with coenzyme A and an acetylated peptide
Descriptor: ACE-MMAS, COENZYME A, N-alpha-acetyltransferase 50
Authors:Reddi, R, Addlagatta, A.
Deposit date:2014-12-05
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Human NAA50 with coenzymeA and a peptide
To Be Published
2ICZ
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BU of 2icz by Molmil
NMR Structures of the Expanded DNA 10bp xTGxTAxCxGCxAxGT:xACTxGCGxTAxCA
Descriptor: 5'-D(*(XAE)P*CP*TP*(XGA)P*CP*GP*(XTY)P*AP*(XCS)P*A)-3', 5'-D(*(XTY)P*GP*(XTY)P*AP*(XCS)P*(XGA)P*CP*(XAE)P*(XGA)P*T)-3'
Authors:Lynch, S.R.
Deposit date:2006-09-13
Release date:2006-11-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Toward a Designed, Functioning Genetic System with Expanded-Size Base Pairs: Solution Structure of the Eight-Base xDNA Double Helix.
J.Am.Chem.Soc., 128, 2006
6NBE
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BU of 6nbe by Molmil
Ternary Complex of Ac-Alpha-Actin with Profilin and CoA-NAA80
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Rebowski, G, Boczkowska, M, Dominguez, R.
Deposit date:2018-12-07
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of actin N-terminal acetylation.
Sci Adv, 6, 2020
7FGX
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BU of 7fgx by Molmil
Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P39, NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 6-hexyl-5-phenyl-pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, J, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S.
Deposit date:2021-07-28
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
7P8E
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BU of 7p8e by Molmil
Crystal structure of the Receiver domain of M. truncatula cytokinin receptor MtCRE1
Descriptor: CALCIUM ION, Receiver domain of histidine kinase
Authors:Tran, L.H, Urbanowicz, A, Jasinski, M, Jaskolski, M, Ruszkowski, M.
Deposit date:2021-07-21
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:3D Domain Swapping Dimerization of the Receiver Domain of Cytokinin Receptor CRE1 From Arabidopsis thaliana and Medicago truncatula .
Front Plant Sci, 12, 2021
8B35
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BU of 8b35 by Molmil
Chalcone synthase from Hordeum vulgare complexed with CoA and naringenin
Descriptor: COENZYME A, Chalcone synthase 2, NARINGENIN
Authors:Zhang, L, Groves, M.R.
Deposit date:2022-09-15
Release date:2023-09-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids.
J.Agric.Food Chem., 72, 2024
7FGY
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BU of 7fgy by Molmil
Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P40, NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, J, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S.
Deposit date:2021-07-28
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
5QTC
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BU of 5qtc by Molmil
Unliganded T. brucei FPPS
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase
Authors:Muenzker, L, Petrick, J.P, Schleberger, C, Jahnke, W.
Deposit date:2019-08-07
Release date:2020-10-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.645 Å)
Cite:Unliganded T. brucei FPPS
To Be Published
7FGW
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BU of 7fgw by Molmil
Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with pyrimethamine, NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, BENZAMIDINE, ...
Authors:Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, Y, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S.
Deposit date:2021-07-28
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
8B32
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BU of 8b32 by Molmil
Chalcone synthase from Hordeum vulgare complexed with CoA
Descriptor: COENZYME A, Chalcone synthase 2
Authors:Zhang, L, Groves, M.R.
Deposit date:2022-09-15
Release date:2023-09-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids.
J.Agric.Food Chem., 72, 2024
8B3C
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BU of 8b3c by Molmil
Chalcone synthase from Hordeum vulgare complexed with CoA and eriodictyol
Descriptor: (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, COENZYME A, Chalcone synthase 2
Authors:Zhang, L, Groves, M.R.
Deposit date:2022-09-16
Release date:2023-09-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids.
J.Agric.Food Chem., 72, 2024
1G5X
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BU of 1g5x by Molmil
The Structure of Beta-Ketoacyl-[Acyl Carrier Protein] Synthase I
Descriptor: BETA-KETOACYL ACYL CARRIER PROTEIN SYNTHASE I
Authors:Zhang, Y.M, Rao, M.S, Heath, R.J, Price, A.C, Olson, A.J, Rock, C.O, White, S.W.
Deposit date:2000-11-02
Release date:2000-11-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Identification and analysis of the acyl carrier protein (ACP) docking site on beta-ketoacyl-ACP synthase III.
J.Biol.Chem., 276, 2001
6TH0
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BU of 6th0 by Molmil
Crystal structure of Arabidopsis thaliana NAA60 in complex with acetyl-CoA
Descriptor: ACETYL COENZYME *A, Acyl-CoA N-acyltransferases (NAT) superfamily protein
Authors:Layer, D, Kopp, J, Lapouge, K, Sinning, I.
Deposit date:2019-11-18
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Arabidopsis N alpha -acetyltransferase NAA60 locates to the plasma membrane and is vital for the high salt stress response.
New Phytol., 228, 2020
8OPX
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BU of 8opx by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Trehalose (Fragment-B-TRE)
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, Putative acyltransferase Rv0859, SULFATE ION, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-10
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OQO
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BU of 8oqo by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-49
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024

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数据于2024-07-17公开中

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