6BFH
 
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7CTY
 | | Wild type plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS), fragment 263, NADP+, dUMP | | Descriptor: | Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION, ... | | Authors: | Vanichtanankul, J, Vitsupakorn, D. | | Deposit date: | 2020-08-20 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of new non-pyrimidine scaffolds as Plasmodium falciparum DHFR inhibitors by fragment-based screening.
J Enzyme Inhib Med Chem, 36, 2021
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3JQ3
 | | Crystal Structure of Lombricine Kinase, complexed with substrate ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lombricine kinase | | Authors: | Bush, D.J, Kirillova, O, Clark, S.A, Fabiola, F, Somasundaram, T, Chapman, M.S. | | Deposit date: | 2009-09-05 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | The structure of lombricine kinase: implications for phosphagen kinase conformational changes.
J.Biol.Chem., 286, 2011
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4CW4
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6B6U
 | | Pyruvate Kinase M2 mutant - S437Y | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Srivastava, D, Dey, M. | | Deposit date: | 2017-10-03 | | Release date: | 2017-12-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural Investigation of a Dimeric Variant of Pyruvate Kinase Muscle Isoform 2.
Biochemistry, 56, 2017
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7WX7
 | | complex of a legionella acetyltransferase VipF and COA/ACO | | Descriptor: | ACETYL COENZYME *A, COENZYME A, N-acetyltransferase | | Authors: | Chen, T.T, Lin, Y.L, Zhang, S.J, Han, A.D. | | Deposit date: | 2022-02-14 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.781 Å) | | Cite: | Structural basis for the acetylation mechanism of the Legionella effector VipF.
Acta Crystallogr D Struct Biol, 78, 2022
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7WX5
 | | a Legionella acetyltransferase effector VipF | | Descriptor: | ACETYL COENZYME *A, N-acetyltransferase | | Authors: | Chen, T.T, Lin, Y.L, Zhang, S.J, Han, A.D. | | Deposit date: | 2022-02-14 | | Release date: | 2023-02-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.392 Å) | | Cite: | Structural basis for the acetylation mechanism of the Legionella effector VipF.
Acta Crystallogr D Struct Biol, 78, 2022
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4DPD
 | | WILD TYPE PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PfDHFR-TS), DHF COMPLEX, NADP+, dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, DIHYDROFOLIC ACID, ... | | Authors: | Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | | Deposit date: | 2012-02-13 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target
Proc.Natl.Acad.Sci.USA, 109, 2012
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6OTX
 | | Crystallographic Structure of (HbII-HbIII)-O2 from Lucina pectinata at pH 7.0 | | Descriptor: | Hemoglobin II, Hemoglobin III, OXYGEN MOLECULE, ... | | Authors: | Marchany-Rivera, D, Smith, C.A, Rodriguez-Perez, J.D, Lopez-Garriga, J. | | Deposit date: | 2019-05-03 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.539 Å) | | Cite: | Lucina pectinata oxyhemoglobin (II-III) heterodimer pH susceptibility.
J.Inorg.Biochem., 207, 2020
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5JA0
 | | Crystal structure of human FPPS with allosterically bound FPP | | Descriptor: | FARNESYL DIPHOSPHATE, Farnesyl pyrophosphate synthase, PHOSPHATE ION | | Authors: | Park, J, Zielinski, M, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2016-04-11 | | Release date: | 2017-01-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Human farnesyl pyrophosphate synthase is allosterically inhibited by its own product.
Nat Commun, 8, 2017
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7CAR
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5FCT
 | | Mouse thymidylate synthase in ternary complex with FdUMP and methylenetetrahydrofolate. | | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Thymidylate synthase | | Authors: | Dowiercial, A, Wilk, P, Jarmula, A, Rode, W. | | Deposit date: | 2015-12-15 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme
Struct Chem, 2016
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7WVZ
 | | CalA3_modular PKS_KS-AT-DH-KR | | Descriptor: | Beta-ketoacyl-acyl-carrier-protein synthase I | | Authors: | Wang, J, Wang, Z. | | Deposit date: | 2022-02-12 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | C-N bond formation by a polyketide synthase.
Nat Commun, 14, 2023
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4DDO
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7CJI
 | | Photosystem II structure in the S1 state | | 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: | Li, H, Shen, J.-R, Suga, M. | | Deposit date: | 2020-07-11 | | Release date: | 2021-04-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Capturing structural changes of the S 1 to S 2 transition of photosystem II using time-resolved serial femtosecond crystallography.
Iucrj, 8, 2021
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7CAQ
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7CAS
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7CTW
 | | Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with fragment 820, NADPH, dUMP | | Descriptor: | 1-(2-methylsulfanylphenyl)piperazine, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Vanichtanankul, J, Vitsupakorn, D. | | Deposit date: | 2020-08-20 | | Release date: | 2021-04-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery of new non-pyrimidine scaffolds as Plasmodium falciparum DHFR inhibitors by fragment-based screening.
J Enzyme Inhib Med Chem, 36, 2021
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5TXF
 | | Crystal structure of Lecithin:cholesterol acyltransferase (LCAT) in a closed conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Phosphatidylcholine-sterol acyltransferase, ... | | Authors: | Manthei, K.A, Glukhova, A, Tesmer, J.J.G. | | Deposit date: | 2016-11-16 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A retractable lid in lecithin:cholesterol acyltransferase provides a structural mechanism for activation by apolipoprotein A-I.
J. Biol. Chem., 292, 2017
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7CAV
 | | Versatile cis-prenyltransferase MM_0014 from Methanosarcina mazei (crystal type: co-FG+DMAPP) | | Descriptor: | 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol, DIMETHYLALLYL DIPHOSPHATE, DIPHOSPHATE, ... | | Authors: | Unno, H, Hemmi, H. | | Deposit date: | 2020-06-10 | | Release date: | 2021-04-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | A versatile cis-prenyltransferase from Methanosarcina mazei catalyzes both C- and O-prenylations.
J.Biol.Chem., 296, 2021
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7CC3
 | | Versatile cis-prenyltransferase MM_0014 from Methanosarcina mazei (crystal type: co-FG) | | Descriptor: | (2R)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol, (2S)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol, 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol, ... | | Authors: | Unno, H, Hemmi, H. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | A versatile cis-prenyltransferase from Methanosarcina mazei catalyzes both C- and O-prenylations.
J.Biol.Chem., 296, 2021
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7CJJ
 | | Photosystem II structure in the S2 state | | 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: | Li, H, Shen, J.-R, Suga, M. | | Deposit date: | 2020-07-11 | | Release date: | 2021-04-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Capturing structural changes of the S 1 to S 2 transition of photosystem II using time-resolved serial femtosecond crystallography.
Iucrj, 8, 2021
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7COU
 | | Structure of cyanobacterial photosystem II in the dark S1 state | | 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: | Li, H, Shen, J.-R, Suga, M. | | Deposit date: | 2020-08-05 | | Release date: | 2021-04-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Capturing structural changes of the S 1 to S 2 transition of photosystem II using time-resolved serial femtosecond crystallography.
Iucrj, 8, 2021
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5PRC
 | | PHOTOSYNTHETIC REACTION CENTER FROM RHODOPSEUDOMONAS VIRIDIS (ATRAZINE COMPLEX) | | Descriptor: | 15-cis-1,2-dihydroneurosporene, 2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO -1,3,5-TRIAZINE, BACTERIOCHLOROPHYLL B, ... | | Authors: | Lancaster, C.R.D, Michel, H. | | Deposit date: | 1997-08-01 | | Release date: | 1999-04-06 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Refined crystal structures of reaction centres from Rhodopseudomonas viridis in complexes with the herbicide atrazine and two chiral atrazine derivatives also lead to a new model of the bound carotenoid.
J.Mol.Biol., 286, 1999
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5FGN
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