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4DQV
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BU of 4dqv by Molmil
Crystal structure of reductase (R) domain of non-ribosomal peptide synthetase from Mycobacterium tuberculosis
Descriptor: PROBABLE PEPTIDE SYNTHETASE NRP (PEPTIDE SYNTHASE)
Authors:Haque, A.S, Panjikar, S, Sankaranarayanan, R.
Deposit date:2012-02-16
Release date:2012-06-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Nonprocessive [2 + 2]e- off-loading reductase domains from mycobacterial nonribosomal peptide synthetases.
Proc.Natl.Acad.Sci.USA, 109, 2012
6W98
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BU of 6w98 by Molmil
Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria
Descriptor: 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, CALCIUM ION, ...
Authors:Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F.
Deposit date:2020-03-22
Release date:2020-05-13
Last modified:2020-06-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria.
Mol.Cell, 78, 2020
7TGH
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BU of 7tgh by Molmil
Cryo-EM structure of respiratory super-complex CI+III2 from Tetrahymena thermophila
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2 iron, ...
Authors:Zhou, L, Maldonado, M, Padavannil, A, Guo, F, Letts, J.A.
Deposit date:2022-01-07
Release date:2022-04-06
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structures of Tetrahymena 's respiratory chain reveal the diversity of eukaryotic core metabolism.
Science, 376, 2022
8GYM
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BU of 8gym by Molmil
Cryo-EM structure of Tetrahymena thermophila respiratory mega-complex MC IV2+(I+III2+II)2
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
Authors:Wu, M.C, Hu, Y.Q, Han, F.Z, Zhou, L.
Deposit date:2022-09-23
Release date:2023-06-14
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Structures of Tetrahymena thermophila respiratory megacomplexes on the tubular mitochondrial cristae.
Nat Commun, 14, 2023
5I6I
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BU of 5i6i by Molmil
Crystal structure of a dBCCP-variant of Chaetomium thermophilum acetyl-CoA carboxylase
Descriptor: Acetyl-CoA carboxylase-like protein,Acetyl-CoA carboxylase-like protein,Acetyl-CoA carboxylase-like protein
Authors:Hunkeler, M, Stuttfeld, E, Hagmann, A, Imseng, S, Maier, T.
Deposit date:2016-02-16
Release date:2016-04-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (8.4 Å)
Cite:The dynamic organization of fungal acetyl-CoA carboxylase.
Nat Commun, 7, 2016
5KKN
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BU of 5kkn by Molmil
Crystal structure of human ACC2 BC domain in complex with ND-646, the primary amide of ND-630
Descriptor: 2-[1-[(2~{R})-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-propanamide, Acetyl-CoA carboxylase 2
Authors:Wang, R, Paul, D, Tong, L.
Deposit date:2016-06-22
Release date:2016-07-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Acetyl-CoA carboxylase inhibition by ND-630 reduces hepatic steatosis, improves insulin sensitivity, and modulates dyslipidemia in rats.
Proc.Natl.Acad.Sci.USA, 113, 2016
6YXX
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BU of 6yxx by Molmil
State A of the Trypanosoma brucei mitoribosomal large subunit assembly intermediate
Descriptor: 12S ribosomal RNA, 50S ribosomal protein L13, putative, ...
Authors:Jaskolowski, M, Ramrath, D.J.F, Bieri, P, Niemann, M, Mattei, S, Calderaro, S, Leibundgut, M.A, Horn, E.K, Boehringer, D, Schneider, A, Ban, N.
Deposit date:2020-05-04
Release date:2020-10-14
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural Insights into the Mechanism of Mitoribosomal Large Subunit Biogenesis.
Mol.Cell, 79, 2020
8PYX
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BU of 8pyx by Molmil
Amide bond synthetase from Streptomyces hindustanus K492H mutant in complex with Adenosine
Descriptor: ADENOSINE, Fatty-acyl-CoA synthase, SULFATE ION
Authors:Tang, Q, Grogan, G.
Deposit date:2023-07-26
Release date:2024-02-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
5IR4
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BU of 5ir4 by Molmil
Crystal structure of wild-type bacterial lipoxygenase from Pseudomonas aeruginosa PA-LOX with space group C2221 at 1.48 A resolution
Descriptor: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate, Arachidonate 15-lipoxygenase, CHLORIDE ION, ...
Authors:Kalms, J, Banthiya, S, Galemou Yoga, E, Kuhn, H, Scheerer, P.
Deposit date:2016-03-12
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural and functional basis of phospholipid oxygenase activity of bacterial lipoxygenase from Pseudomonas aeruginosa.
Biochim.Biophys.Acta, 1861, 2016
5IR5
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BU of 5ir5 by Molmil
Crystal structure of wild-type bacterial lipoxygenase from Pseudomonas aeruginosa PA-LOX with space group P21212 at 1.9 A resolution
Descriptor: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate, Arachidonate 15-lipoxygenase, FE (II) ION, ...
Authors:Kalms, J, Banthiya, S, Galemou Yoga, E, Kuhn, H, Scheerer, P.
Deposit date:2016-03-12
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional basis of phospholipid oxygenase activity of bacterial lipoxygenase from Pseudomonas aeruginosa.
Biochim.Biophys.Acta, 1861, 2016
1ZGD
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BU of 1zgd by Molmil
Chalcone Reductase Complexed With NADP+ at 1.7 Angstrom Resolution
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, chalcone reductase
Authors:Bomati, E.K, Austin, M.B, Bowman, M.E, Dixon, R.A, Noel, J.P.
Deposit date:2005-04-21
Release date:2005-06-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural elucidation of chalcone reductase and implications for deoxychalcone biosynthesis
J.Biol.Chem., 280, 2005
1AMO
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BU of 1amo by Molmil
THREE-DIMENSIONAL STRUCTURE OF NADPH-CYTOCHROME P450 REDUCTASE: PROTOTYPE FOR FMN-AND FAD-CONTAINING ENZYMES
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Wang, M, Roberts, D.L, Paschke, R, Shea, T.M, Masters, B.S.S, Kim, J.J.P.
Deposit date:1997-06-17
Release date:1998-06-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Three-dimensional structure of NADPH-cytochrome P450 reductase: prototype for FMN- and FAD-containing enzymes.
Proc.Natl.Acad.Sci.USA, 94, 1997
5YZU
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BU of 5yzu by Molmil
Crystal structure of KAS III from Acinetobacter baumannii
Descriptor: 3-Oxoacyl-[acyl-carrier-(ACP)] synthase III C terminal family protein
Authors:Lee, W.C, Jung, M, Lee, J, Kim, Y.
Deposit date:2017-12-15
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.122 Å)
Cite:Crystal structure of a novel KAS III from Acinetobacter baumannii
to be published
3HNZ
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BU of 3hnz by Molmil
Structure of E. coli FabF(C163A) in Complex with Platensimycin
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, PLATENSIMYCIN
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2009-06-01
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Isolation, enzyme-bound structure and antibacterial activity of platencin A1 from Streptomyces platensis.
Bioorg.Med.Chem.Lett., 19, 2009
5KIR
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BU of 5kir by Molmil
The Structure of Vioxx Bound to Human COX-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, GLYCEROL, ...
Authors:Orlando, B.J, Malkowski, M.G.
Deposit date:2016-06-16
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:Crystal structure of rofecoxib bound to human cyclooxygenase-2.
Acta Crystallogr.,Sect.F, 72, 2016
3LN1
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BU of 3ln1 by Molmil
Structure of celecoxib bound at the COX-2 active site
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, ...
Authors:Kiefer, J.R, Kurumbail, R.G, Stallings, W.C, Pawlitz, J.L.
Deposit date:2010-02-01
Release date:2010-10-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
4OOB
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BU of 4oob by Molmil
Crystal structure of HtdX(Rv0241c) from Mycobacterium tuberculosis
Descriptor: CHLORIDE ION, Uncharacterized protein HtdX
Authors:Biswas, R, Dutta, D, Das, A.K.
Deposit date:2014-01-31
Release date:2015-02-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of HtdX(Rv0241c) from Mycobacterium tuberculosis
To be Published
8CN5
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BU of 8cn5 by Molmil
Pa.FabF-C164Q in complex with propan-2-yl 1~{H}-pyrazole-3-carboxylate
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Georgiou, C, Brenk, R.
Deposit date:2023-02-22
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8CN8
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BU of 8cn8 by Molmil
apo Pseudomonas aeruginosa FabF C164A mutant
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2
Authors:Georgiou, C, Brenk, R, Espeland, L.O.
Deposit date:2023-02-22
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8CNG
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BU of 8cng by Molmil
Pa.FabF-C164Q in complex with ~{N}-cyclopentyl-3-methyl-1~{H}-pyrazole-5-carboxamide
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Georgiou, C, Brenk, R.
Deposit date:2023-02-22
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8CN2
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BU of 8cn2 by Molmil
Pa.FabF-C164Q in complex with N-isobutyl-1H-pyrazole-3-carboxamide
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide
Authors:Georgiou, C, Brenk, R.
Deposit date:2023-02-21
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
4MRT
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BU of 4mrt by Molmil
Structure of the Phosphopantetheine Transferase Sfp in Complex with Coenzyme A and a Peptidyl Carrier Protein
Descriptor: 4'-phosphopantetheinyl transferase sfp, COENZYME A, GLYCEROL, ...
Authors:Tufar, P, Rahighi, S, Kraas, F.I, Kirchner, D.K, Loehr, F, Henrich, E, Koepke, J, Dikic, I, Guentert, P, Marahiel, M.A, Doetsch, V.
Deposit date:2013-09-17
Release date:2014-04-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of a PCP/Sfp Complex Reveals the Structural Basis for Carrier Protein Posttranslational Modification.
Chem.Biol., 21, 2014
7O71
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BU of 7o71 by Molmil
Cryo-EM structure of a respiratory complex I
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Acyl carrier protein ACPM1 of NADH:Ubiquinone Oxidoreductase (Complex I), ...
Authors:Parey, K, Vonck, J.
Deposit date:2021-04-12
Release date:2021-11-10
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:High-resolution structure and dynamics of mitochondrial complex I-Insights into the proton pumping mechanism.
Sci Adv, 7, 2021
7O6Y
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BU of 7o6y by Molmil
Cryo-EM structure of respiratory complex I under turnover
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Parey, K, Vonck, J.
Deposit date:2021-04-12
Release date:2021-11-10
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:High-resolution structure and dynamics of mitochondrial complex I-Insights into the proton pumping mechanism.
Sci Adv, 7, 2021
4YUF
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BU of 4yuf by Molmil
Crystal Structure of CorB
Descriptor: CorB
Authors:Zocher, G, Vilstrup, J, Stehle, T.
Deposit date:2015-03-18
Release date:2016-03-30
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural basis of head to head polyketide fusion by CorB.
Chem Sci, 6, 2015

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