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4XQS
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BU of 4xqs by Molmil
Crystal structure of human FPPS in complex with one magnesium ion
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION
Authors:Park, J, Berghuis, A.M.
Deposit date:2015-01-20
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human FPPS in complex with one magnesium ion
To Be Published
7OUI
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BU of 7oui by Molmil
Structure of C2S2M2-type Photosystem supercomplex from Arabidopsis thaliana (digitonin-extracted)
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:Graca, A.T, Hall, M, Persson, K, Schroder, W.P.
Deposit date:2021-06-11
Release date:2021-08-18
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:High-resolution model of Arabidopsis Photosystem II reveals the structural consequences of digitonin-extraction.
Sci Rep, 11, 2021
6Z02
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BU of 6z02 by Molmil
Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV in surfo crystallization
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, ...
Authors:Gabdulkhakov, A.G, Selikhanov, G.K, Fufina, T.Y, Vasilieva, L.G, Betzel, C.
Deposit date:2020-05-07
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel approaches for the lipid sponge phase crystallization of the Rhodobacter sphaeroides photosynthetic reaction center.
Iucrj, 7, 2020
4XSB
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BU of 4xsb by Molmil
Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
Descriptor: Daunorubicin-doxorubicin polyketide synthase
Authors:Jackson, D.R, Valentic, T.R, Tsai, S.C, Patel, A, Mohammed, L, Vasilakis, K, Wattana-amorn, P, Long, P.F, Crump, M.P, Crosby, J.
Deposit date:2015-01-22
Release date:2016-01-27
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
To Be Published
8AVW
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BU of 8avw by Molmil
Cryo-EM structure of DrBphP in Pr state
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome,Response regulator
Authors:Wahlgren, W.Y, Takala, H, Westenhoff, S.
Deposit date:2022-08-27
Release date:2022-12-21
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structural mechanism of signal transduction in a phytochrome histidine kinase.
Nat Commun, 13, 2022
1D6H
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BU of 1d6h by Molmil
CHALONE SYNTHASE (N336A MUTANT COMPLEXED WITH COA)
Descriptor: CHALCONE SYNTHASE, COENZYME A, SULFATE ION
Authors:Jez, J.M, Ferrer, J.L, Bowman, M.E, Dixon, R.A, Noel, J.P.
Deposit date:1999-10-13
Release date:2000-02-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Dissection of malonyl-coenzyme A decarboxylation from polyketide formation in the reaction mechanism of a plant polyketide synthase.
Biochemistry, 39, 2000
5M4Z
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BU of 5m4z by Molmil
Crystal structure of the complex of T.spiralis thymidylate synthase with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate, crystallized in the presence of N(5,10)-methylenetetrahydrofolate
Descriptor: GLYCEROL, Thymidylate synthase, [(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Authors:Wilk, P, Maj, P, Jarmula, A, Dowiercial, A, Rode, W.
Deposit date:2016-10-19
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.179 Å)
Cite:Molecular Mechanism of Thymidylate Synthase Inhibition by N 4 -Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies.
Int J Mol Sci, 22, 2021
6Z5R
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BU of 6z5r by Molmil
RC-LH1(16) complex from Rhodopseudomonas palustris
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, (6~{R},10~{S},14~{R},19~{R},23~{S},24~{E},27~{S},28~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol, ...
Authors:Swainsbury, D.J.K, Qian, P, Hitchcock, A, Hunter, C.N.
Deposit date:2020-05-27
Release date:2021-01-13
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structures of Rhodopseudomonas palustris RC-LH1 complexes with open or closed quinone channels.
Sci Adv, 7, 2021
4XSC
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BU of 4xsc by Molmil
Complex structure of thymidylate synthase from varicella zoster virus with a phosphorylated BVDU
Descriptor: (E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, PENTAETHYLENE GLYCOL, Thymidylate synthase
Authors:Hew, K.
Deposit date:2015-01-22
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Structure of the Varicella Zoster Virus Thymidylate Synthase Establishes Functional and Structural Similarities as the Human Enzyme and Potentiates Itself as a Target of Brivudine.
Plos One, 10, 2015
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
5M70
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BU of 5m70 by Molmil
Crystal Structure of human RhoGAP mutated in its arginin finger (R85A) in complex with RhoA.GDP.AlF4- human
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ...
Authors:Pellegrini, E, Bowler, M.W.
Deposit date:2016-10-26
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches.
Angew. Chem. Int. Ed. Engl., 56, 2017
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
6ERD
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BU of 6erd by Molmil
Crystal structure of a putative acetyltransferase from Bacillus cereus species.
Descriptor: Aminoglycoside N6'-acetyltransferase, CHLORIDE ION, GLYCEROL
Authors:Silvestre, H.L, Bolanos-Garcia, V.M, Asensio, J.L, Blundell, T.L, Bastida, A.
Deposit date:2017-10-18
Release date:2018-09-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional and structural characterisation of RimL from Bacillus cereus, a new N alpha-acetyltransferase of ribosomal proteins that was wrongly assigned as an aminoglycosyltransferase.
Int.J.Biol.Macromol., 263, 2024
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
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
6ZID
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BU of 6zid by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 5 ps (b) structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-25
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
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
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
5M6X
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BU of 5m6x by Molmil
Crystal Structure of human RhoGAP mutated in its arginine finger (R85A) in complex with RhoA.GDP.MgF3- human
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ...
Authors:Pellegrini, E, Bowler, M.W.
Deposit date:2016-10-26
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches.
Angew. Chem. Int. Ed. Engl., 56, 2017
1CML
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BU of 1cml by Molmil
CHALCONE SYNTHASE FROM ALFALFA COMPLEXED WITH MALONYL-COA
Descriptor: MALONYL-COENZYME A, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), PROTEIN (CHALCONE SYNTHASE), ...
Authors:Ferrer, J.-L, Jez, J, Bowman, M.E, Dixon, R, Noel, J.P.
Deposit date:1999-03-30
Release date:1999-08-18
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure of chalcone synthase and the molecular basis of plant polyketide biosynthesis.
Nat.Struct.Biol., 6, 1999
6ZIA
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BU of 6zia by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 8 us structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-25
Release date:2020-12-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
4YDU
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BU of 4ydu by Molmil
Crystal structure of E. coli YgjD-YeaZ heterodimer in complex with ADP
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, ...
Authors:Zhang, W, Collinet, B, Perrochia, L, Durand, D, Van Tilbeurgh, H.
Deposit date:2015-02-23
Release date:2015-03-04
Last modified:2024-01-10
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
6Z81
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BU of 6z81 by Molmil
TsaBD bound to the inhibitor
Descriptor: (2~{S},3~{R})-2-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoylamino]-3-oxidanyl-butanoic acid, ACETATE ION, ADENOSINE MONOPHOSPHATE, ...
Authors:Missoury, S, Van Tilbeurgh, H.
Deposit date:2020-06-02
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structure of a reaction intermediate mimic in t6A biosynthesis bound in the active site of the TsaBD heterodimer from Escherichia coli.
Nucleic Acids Res., 49, 2021
4YJY
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BU of 4yjy by Molmil
Crystal structure of Type III polyketide synthase from Oryza sativa
Descriptor: Chalcone synthase 1
Authors:Wongsantichon, J, Robinson, R.C, Yew, W.S.
Deposit date:2015-03-03
Release date:2016-02-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Synthetic Polyketide Enzymology: Platform for Biosynthesis of Antimicrobial Polyketides
Acs Catalysis, 5, 2015
5M7J
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BU of 5m7j by Molmil
Blastochloris viridis photosynthetic reaction center structure using best crystal approach
Descriptor: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ...
Authors:Sharma, A.S, Johansson, L, Dunevall, E, Wahlgren, W.Y, Neutze, R, Katona, G.
Deposit date:2016-10-28
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Asymmetry in serial femtosecond crystallography data.
Acta Crystallogr A Found Adv, 73, 2017

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