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6JLM
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BU of 6jlm by Molmil
XFEL structure of cyanobacterial photosystem II (dark state, dataset2)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Suga, M, Shen, J.R.
Deposit date:2019-03-06
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
6JLK
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BU of 6jlk by Molmil
XFEL structure of cyanobacterial photosystem II (1F state, dataset1)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Suga, M, Shen, J.R.
Deposit date:2019-03-06
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
6JVU
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BU of 6jvu by Molmil
Crystal structure of Klebsiella pneumoniae CysE in complex with L-cysteine
Descriptor: 1,2-ETHANEDIOL, CYSTEINE, PHOSPHATE ION, ...
Authors:Verma, D, Gupta, V.
Deposit date:2019-04-17
Release date:2020-02-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Allosteric inhibition and kinetic characterization of Klebsiella pneumoniae CysE: An emerging drug target.
Int.J.Biol.Macromol., 151, 2020
6K7S
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BU of 6k7s by Molmil
Crystal structure of thymidylate synthase from shrimp
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase
Authors:Ma, Q, Zang, K, Liu, C.
Deposit date:2019-06-08
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed.
J Oceanol Limnol, 38, 2020
6KAD
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BU of 6kad by Molmil
Cryo-EM structure of the C2S2M2L2-type PSII-LHCII supercomplex from Chlamydomonas reihardtii
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Sheng, X, Watanabe, A, Li, A.J, Kim, E, Song, C, Murata, K, Song, D.F, Minagawa, J, Liu, Z.F.
Deposit date:2019-06-21
Release date:2019-10-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insight into light harvesting for photosystem II in green algae.
Nat.Plants, 5, 2019
6KY2
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BU of 6ky2 by Molmil
Crystal Structure of Arginine Kinase wild type from Daphnia magna
Descriptor: Arginine kinase, PHOSPHATE ION
Authors:Park, J.H, Rao, Z, Kim, S.Y, Kim, D.S.
Deposit date:2019-09-16
Release date:2020-09-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Insight into Structural Aspects of Histidine 284 of Daphnia magna Arginine Kinase.
Mol.Cells, 43, 2020
6KOL
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BU of 6kol by Molmil
Crystal structure of auracyanin from photosynthetic bacterium Roseiflexus castenholzii
Descriptor: Blue (Type 1) copper domain protein, CHLORIDE ION, COPPER (II) ION
Authors:Wang, C, Zhang, C.Y, Min, Z.Z, Xin, Y.Y, Xu, X.L.
Deposit date:2019-08-12
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.211 Å)
Cite:Structural basis underlying the electron transfer features of a blue copper protein auracyanin from the photosynthetic bacterium Roseiflexus castenholzii.
Photosyn. Res., 143, 2020
6KOT
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BU of 6kot by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with B12128 and NADPH
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Vitsupakorn, D.
Deposit date:2019-08-13
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
Bioorg.Med.Chem., 27, 2019
6LI6
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BU of 6li6 by Molmil
Crystal structure of MCR-1-S treated by Au(PEt3)Cl
Descriptor: GOLD ION, Probable phosphatidylethanolamine transferase Mcr-1, TRIETHYLPHOSPHANE
Authors:Zhang, Q, Wang, M, Sun, H.
Deposit date:2019-12-10
Release date:2020-09-16
Last modified:2020-10-28
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
6KY3
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BU of 6ky3 by Molmil
Structure of arginine kinase H284A mutant
Descriptor: ARGININE, Arginine kinase, PHOSPHATE ION, ...
Authors:Rao, Z, Park, J.H, Kim, S.Y, Kim, D.S.
Deposit date:2019-09-16
Release date:2020-09-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Insight into Structural Aspects of Histidine 284 of Daphnia magna Arginine Kinase.
Mol.Cells, 43, 2020
6L2G
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BU of 6l2g by Molmil
Crystal structure of Aspergillus fumigatus mitochondrial acetyl-CoA acetyltransferase
Descriptor: Acetyl-CoA-acetyltransferase, putative
Authors:Zhang, Y, Wei, W, Raimi, O.G, Ferenbach, A.T, Fang, W.
Deposit date:2019-10-03
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Aspergillus fumigatus Mitochondrial Acetyl Coenzyme A Acetyltransferase as an Antifungal Target.
Appl.Environ.Microbiol., 86, 2020
6L3W
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BU of 6l3w by Molmil
Crystal structure of BphC, a halotolerant catechol dioxygenase
Descriptor: Extra-diol dioxygenase BphC, FE (III) ION
Authors:Thakur, K.G, Solanki, V.
Deposit date:2019-10-15
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure Elucidation and Biochemical Characterization of Environmentally Relevant Novel Extradiol Dioxygenases Discovered by a Functional Metagenomics Approach.
mSystems, 4, 2019
6KXF
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BU of 6kxf by Molmil
The ishigamide ketosynthase/chain length factor
Descriptor: ACP, Ketosynthase, [(3~{R})-2,2-dimethyl-4-[[3-[2-[[(~{E})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
Authors:Du, D, Katsuyama, Y, Horiuchi, M, Fushinobu, S, Chen, A, Davis, T, Burkart, M, Ohnishi, Y.
Deposit date:2019-09-10
Release date:2020-05-06
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural basis for selectivity in a highly reducing type II polyketide synthase.
Nat.Chem.Biol., 16, 2020
6L5U
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BU of 6l5u by Molmil
Quinolone synthase from Aegle marmelos Correa
Descriptor: Type III polyketide synthase
Authors:Mallika, V, Abhinav, K.V, Frandsen, K.E.H, Soniya, E.V.
Deposit date:2019-10-24
Release date:2020-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and mechanistic insights into Quinolone Synthase to address its functional promiscuity
Commun Biol, 2024
6J27
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BU of 6j27 by Molmil
Crystal structure of the branched-chain polyamine synthase from Thermus thermophilus (Tth-BpsA) in complex with N4-aminopropylspermidine and 5'-methylthioadenosine
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
Authors:Mizohata, E, Toyoda, M, Fujita, J, Inoue, T.
Deposit date:2018-12-31
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:The C-terminal flexible region of branched-chain polyamine synthase facilitates substrate specificity and catalysis.
Febs J., 286, 2019
6J1M
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BU of 6j1m by Molmil
Anisodus acutangulus type III polyketide sythase AaPKS2 in complex with 4-carboxy-3-oxobutanoyl covalent to C166
Descriptor: 1,2-ETHANEDIOL, 3-oxopentanedioic acid, A. acutangulus PKS2
Authors:Fang, C.L, Zhang, Y.
Deposit date:2018-12-28
Release date:2019-09-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Tropane alkaloids biosynthesis involves an unusual type III polyketide synthase and non-enzymatic condensation.
Nat Commun, 10, 2019
6L9S
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BU of 6l9s by Molmil
Crystal structure of Na-dithionite reduced auracyanin from photosynthetic bacterium Roseiflexus castenholzii
Descriptor: Blue (Type 1) copper domain protein, COPPER (I) ION
Authors:Wang, C, Zhang, C.Y, Min, Z.Z, Xu, X.L.
Deposit date:2019-11-10
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis underlying the electron transfer features of a blue copper protein auracyanin from the photosynthetic bacterium Roseiflexus castenholzii.
Photosyn. Res., 143, 2020
6L61
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BU of 6l61 by Molmil
Quinolone synthase from Aegle marmelos Correa, Dimer
Descriptor: Type III polyketide synthase
Authors:Mallika, V, Abhinav, K.V, Soniya, E.V.
Deposit date:2019-10-25
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Quinolone synthase from Aegle marmelos Correa, Dimer
To Be Published
6KXD
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BU of 6kxd by Molmil
The ishigamide ketosynthase/chain length factor
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Ketosynthase, ...
Authors:Du, D, Katsuyama, Y, Horiuchi, M, Fushinobu, S, Chen, A, Davis, T, Burkart, M, Ohnishi, Y.
Deposit date:2019-09-10
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for selectivity in a highly reducing type II polyketide synthase.
Nat.Chem.Biol., 16, 2020
6L7J
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BU of 6l7j by Molmil
Quinolone synthase (QNS) from Aegle marmelos Correa., complexed with Coenzyme A
Descriptor: COENZYME A, Type III polyketide synthase
Authors:Mallika, V, Abhinav, K.V, Frandsen, K.E.H, Soniya, E.V.
Deposit date:2019-11-01
Release date:2020-11-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and mechanistic insights into Quinolone Synthase to address its functional promiscuity
Commun Biol, 2024
6LEV
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BU of 6lev by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 46 and NADPH
Descriptor: 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Vanichtanankul, J, Vitsupakorn, D.
Deposit date:2019-11-27
Release date:2020-12-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.644 Å)
Cite:Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Eur.J.Med.Chem., 195, 2020
6L2C
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BU of 6l2c by Molmil
Crystal structure of Aspergillus fumigatus mitochondrial acetyl-CoA acetyltransferase in complex with CoA
Descriptor: Acetyl-CoA-acetyltransferase, putative, COENZYME A
Authors:Zhang, Y, Wei, W, Raimi, O.G, Ferenbach, A.T, Fang, W.
Deposit date:2019-10-03
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Aspergillus fumigatus Mitochondrial Acetyl Coenzyme A Acetyltransferase as an Antifungal Target.
Appl.Environ.Microbiol., 86, 2020
6KPR
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BU of 6kpr by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with B12155 inhibitor
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]butanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Vitsupakorn, D.
Deposit date:2019-08-15
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
Bioorg.Med.Chem., 27, 2019
6L78
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BU of 6l78 by Molmil
Quinolone synthase (QNS) from Aegle marmelos
Descriptor: Type III polyketide synthase
Authors:Mallika, V, Abhinav, K.V, Soniya, E.V.
Deposit date:2019-10-31
Release date:2020-11-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Quinolone synthase from Aegle marmelos Correa
To Be Published
1AFW
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BU of 1afw by Molmil
THE 1.8 ANGSTROM CRYSTAL STRUCTURE OF THE DIMERIC PEROXISOMAL THIOLASE OF SACCHAROMYCES CEREVISIAE
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 3-KETOACETYL-COA THIOLASE
Authors:Mathieu, M, Wierenga, R.K.
Deposit date:1997-03-15
Release date:1997-06-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The 1.8 A crystal structure of the dimeric peroxisomal 3-ketoacyl-CoA thiolase of Saccharomyces cerevisiae: implications for substrate binding and reaction mechanism.
J.Mol.Biol., 273, 1997

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