6Y2J
 
 | | Crystal structure of M. tuberculosis KasA in complex with 4,4,4-trifluoro-N-(isoquinolin-6-yl)butane-1-sulfonamide | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, 4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide, SODIUM ION, ... | | Authors: | Chung, C. | | Deposit date: | 2020-02-16 | | Release date: | 2020-04-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.886 Å) | | Cite: | Exploring the SAR of the beta-Ketoacyl-ACP Synthase Inhibitor GSK3011724A and Optimization around a Genotoxic Metabolite.
Acs Infect Dis., 6, 2020
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5KWJ
 | | M.tb Ag85C modified at C209 by amino-ebselen | | Descriptor: | Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ~{N}-(4-aminophenyl)-2-selanyl-benzamide | | Authors: | Goins, C.M, Ronning, D.R. | | Deposit date: | 2016-07-18 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives.
ACS Infect Dis, 3, 2017
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6DHH
 | | RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.2 Angstrom resolution | | 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: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | | Deposit date: | 2018-05-20 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
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1CGK
 | | CHALCONE SYNTHASE FROM ALFALFA COMPLEXED WITH NARINGENIN | | Descriptor: | NARINGENIN, PROTEIN (CHALCONE SYNTHASE) | | Authors: | Ferrer, J.-L, Jez, J, Bowman, M.E, Dixon, R, Noel, J.P. | | Deposit date: | 1999-03-25 | | Release date: | 1999-09-03 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structure of chalcone synthase and the molecular basis of plant polyketide biosynthesis.
Nat.Struct.Biol., 6, 1999
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5KTT
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6YGA
 | | Crystal structure of the apo NatC complex | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Grunwald, S, Hopf, L, Bock-Bierbaum, T, Lally, C.C, Spahn, C.M.T, Daumke, O. | | Deposit date: | 2020-03-27 | | Release date: | 2020-10-28 | | Last modified: | 2020-11-18 | | Method: | X-RAY DIFFRACTION (2.397 Å) | | Cite: | Divergent architecture of the heterotrimeric NatC complex explains N-terminal acetylation of cognate substrates.
Nat Commun, 11, 2020
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5KTR
 | | Crystal structure of Pyrococcus horikoshii quinolinate synthase (NadA) with bound maleate and Fe4S4 cluster | | Descriptor: | AMMONIUM ION, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | | Authors: | Fenwick, M.K, Ealick, S.E. | | Deposit date: | 2016-07-12 | | Release date: | 2016-07-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Crystal Structures of the Iron-Sulfur Cluster-Dependent Quinolinate Synthase in Complex with Dihydroxyacetone Phosphate, Iminoaspartate Analogues, and Quinolinate.
Biochemistry, 55, 2016
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5KWI
 | | M.tb Ag85C modified at C209 by adamantyl-ebselen | | Descriptor: | Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ~{N}-(1-adamantyl)-2-selanyl-benzamide | | Authors: | Goins, C.M, Ronning, D.R. | | Deposit date: | 2016-07-18 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives.
ACS Infect Dis, 3, 2017
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6YGD
 | | Crystal structure of the NatC complex bound to Gag peptide and CoA | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, COENZYME A, ... | | Authors: | Grunwald, S, Hopf, L, Bock-Bierbaum, T, Lally, C.C, Spahn, C.M.T, Daumke, O. | | Deposit date: | 2020-03-27 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.752 Å) | | Cite: | Divergent architecture of the heterotrimeric NatC complex explains N-terminal acetylation of cognate substrates.
Nat Commun, 11, 2020
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1CGZ
 | | CHALCONE SYNTHASE FROM ALFALFA COMPLEXED WITH RESVERATROL | | Descriptor: | PROTEIN (CHALCONE SYNTHASE), RESVERATROL | | Authors: | Ferrer, J.-L, Jez, J, Bowman, M.E, Dixon, R, Noel, J.P. | | Deposit date: | 1999-03-26 | | Release date: | 1999-08-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of chalcone synthase and the molecular basis of plant polyketide biosynthesis.
Nat.Struct.Biol., 6, 1999
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8A6U
 | | PcIDS1 in complex with Mg2+ | | Descriptor: | Isoprenyl diphosphate synthase, MAGNESIUM ION | | Authors: | Ecker, F, Boland, W, Groll, M. | | Deposit date: | 2022-06-20 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
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1CI7
 | | TERNARY COMPLEX OF THYMIDYLATE SYNTHASE FROM PNEUMOCYSTIS CARINII | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, PROTEIN (THYMIDYLATE SYNTHASE) | | Authors: | Anderson, A.C, O'Neil, R.H, Delano, W.L, Stroud, R.M. | | Deposit date: | 1999-04-08 | | Release date: | 2000-04-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structural mechanism for half-the-sites reactivity in an enzyme, thymidylate synthase, involves a relay of changes between subunits.
Biochemistry, 38, 1999
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8A7K
 | | PcIDS1 in complex with Mg2+/Mn2+, IPP, and ZOL | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... | | Authors: | Ecker, F, Boland, W, Groll, M. | | Deposit date: | 2022-06-21 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
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8A6V
 | | PcIDS1 in complex with Mg2+ and IPP | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Isoprenyl diphosphate synthase, MAGNESIUM ION | | Authors: | Ecker, F, Boland, W, Groll, M. | | Deposit date: | 2022-06-20 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
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6YP7
 | | PSII-LHCII C2S2 supercomplex from Pisum sativum grown in high light conditions | | 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: | Grinzato, A, Albanese, P, Zanotti, G, Pagliano, C. | | Deposit date: | 2020-04-15 | | Release date: | 2020-11-25 | | Last modified: | 2020-12-02 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | High-Light versus Low-Light: Effects on Paired Photosystem II Supercomplex Structural Rearrangement in Pea Plants.
Int J Mol Sci, 21, 2020
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5KTA
 | | Apo FdhC- a nucleotide-linked sugar GNAT | | Descriptor: | DIMETHYL SULFOXIDE, FdhC, SULFATE ION | | Authors: | Salinger, A.J, Thoden, J.B, Holden, H.M. | | Deposit date: | 2016-07-11 | | Release date: | 2016-07-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural and Functional Investigation of FdhC from Acinetobacter nosocomialis: A Sugar N-Acyltransferase Belonging to the GNAT Superfamily.
Biochemistry, 55, 2016
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5KTP
 | | Crystal structure of Pyrococcus horikoshii quinolinate synthase (NadA) with bound itaconate and Fe4S4 cluster | | Descriptor: | 2-methylidenebutanedioic acid, AMMONIUM ION, CHLORIDE ION, ... | | Authors: | Fenwick, M.K, Ealick, S.E. | | Deposit date: | 2016-07-12 | | Release date: | 2016-07-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.542 Å) | | Cite: | Crystal Structures of the Iron-Sulfur Cluster-Dependent Quinolinate Synthase in Complex with Dihydroxyacetone Phosphate, Iminoaspartate Analogues, and Quinolinate.
Biochemistry, 55, 2016
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8OYQ
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4XSE
 | | Complex structure of thymidylate synthase from varicella zoster virus | | Descriptor: | PHOSPHATE ION, Thymidylate synthase | | Authors: | Hew, K. | | Deposit date: | 2015-01-22 | | Release date: | 2015-12-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 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
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8OYZ
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8OZ9
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8A7A
 | | PcIDS1 in complex with Mg2+ and 3-Br-GPP | | Descriptor: | Isoprenyl diphosphate synthase, MAGNESIUM ION, [(2Z)-3-bromanyl-7-methyl-octa-2,6-dienyl] phosphono hydrogen phosphate | | Authors: | Ecker, F, Boland, W, Groll, M. | | Deposit date: | 2022-06-20 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
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6Y08
 | | Mouse thymidylate synthase cocrystallized with dUMP and soaked in sulfamethoxazole | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Sulfamethoxazole, Thymidylate synthase | | Authors: | Maj, P, Jarmula, A, Wilk, P, Weiss, M.S, Rode, W. | | Deposit date: | 2020-02-06 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.297 Å) | | Cite: | Mouse thymidylate synthase cocrystallized with dUMP and soaked in sulfamethoxazole
To Be Published
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4XQR
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8A7L
 | | PcIDS1 in complex with Mg2+, GPP, and ZOL | | Descriptor: | GERANYL DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... | | Authors: | Ecker, F, Boland, W, Groll, M. | | Deposit date: | 2022-06-21 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
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