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5VM7
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BU of 5vm7 by Molmil
Pseudo-atomic model of the MurA-A2 complex
Descriptor: Maturation protein A2, UDP-N-acetylglucosamine 1-carboxyvinyltransferase
Authors:Cui, Z, Zhang, J.
Deposit date:2017-04-26
Release date:2017-10-18
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Structures of Q beta virions, virus-like particles, and the Q beta-MurA complex reveal internal coat proteins and the mechanism of host lysis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7XXF
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BU of 7xxf by Molmil
Structure of photosynthetic LH1-RC super-complex of Rhodopila globiformis
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E},28~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26,28-dodecaen-5-one, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ...
Authors:Tani, K, Kanno, R, Kurosawa, K, Takaichi, S, Nagashima, K.V.P, Hall, M, Yu, L.-J, Kimura, Y, Madigan, M.T, Mizoguchi, A, Humbel, B.M, Wang-Otomo, Z.-Y.
Deposit date:2022-05-30
Release date:2022-11-16
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (2.24 Å)
Cite:An LH1-RC photocomplex from an extremophilic phototroph provides insight into origins of two photosynthesis proteins.
Commun Biol, 5, 2022
4EA0
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BU of 4ea0 by Molmil
Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with diphosphate and quinuclidine BPH-651
Descriptor: (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase, L(+)-TARTARIC ACID, ...
Authors:Lin, F.-Y, Liu, Y.-L, Oldfield, E.
Deposit date:2012-03-21
Release date:2012-04-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
4EBU
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BU of 4ebu by Molmil
Crystal structure of a sugar kinase (Target EFI-502312) from Oceanicola granulosus, with bound AMP/ADP crystal form I
Descriptor: 2-dehydro-3-deoxygluconokinase, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-03-24
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a sugar kinase (Target EFI-502312) from Oceanicola granulosus, with bound AMP/ADP crystal form I
TO BE PUBLISHED
3OV3
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BU of 3ov3 by Molmil
G211F mutant of curcumin synthase 1 from Curcuma longa
Descriptor: Curcumin synthase, MALONATE ION
Authors:Katsuyama, Y, Miyazono, K, Tanokura, M, Ohnishi, Y, Horinouchi, S.
Deposit date:2010-09-15
Release date:2010-12-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A hydrophobic cavity discovered in a curcumin synthase facilitates utilization of a beta-keto acid as an extender substrate for the atypical type III polyleteide synthase
To be Published
3OWC
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BU of 3owc by Molmil
Crystal structure of GNAT superfamily protein PA2578 from Pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, COENZYME A, Probable acetyltransferase
Authors:Majorek, K.A, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-09-17
Release date:2010-11-03
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of GNAT superfamily protein PA2578 from Pseudomonas aeruginosa
To be Published
5FBS
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BU of 5fbs by Molmil
Crystal structure of rifampin phosphotransferase RPH-Lm from Listeria monocytogenes in complex with ADP and magnesium
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoenolpyruvate synthase
Authors:Stogios, P.J, Wawrzak, Z, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-12-14
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Rifampin phosphotransferase is an unusual antibiotic resistance kinase.
Nat Commun, 7, 2016
5W2P
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BU of 5w2p by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2017-06-06
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
7N0E
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BU of 7n0e by Molmil
Co-complex of the histidine kinase region of RetS and the dimerization and histidine phosphotransfer domain of GacS
Descriptor: Histidine kinase
Authors:Ryan Kaler, K, Schubot, F.D, Nix, J.
Deposit date:2021-05-25
Release date:2022-03-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:RetS inhibits Pseudomonas aeruginosa biofilm formation by disrupting the canonical histidine kinase dimerization interface of GacS.
J.Biol.Chem., 297, 2021
3PNL
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BU of 3pnl by Molmil
Crystal Structure of E.coli Dha kinase DhaK-DhaL complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Shi, R, McDonald, L, Matte, A, Cygler, M, Ekiel, I, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2010-11-19
Release date:2011-01-12
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and mechanistic insight into covalent substrate binding by Escherichia coli dihydroxyacetone kinase.
Proc.Natl.Acad.Sci.USA, 108, 2011
7DTQ
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BU of 7dtq by Molmil
Apo Crystal Structure of Octaketide Synthase from A. arborescens
Descriptor: Octaketide synthase 1
Authors:Li, T.L, Adhikari, K, Li, Y.S.
Deposit date:2021-01-06
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Apo Crystal Structure of Octaketide synthase from Aloe arborescens.
To Be Published
2WX5
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BU of 2wx5 by Molmil
Hexa-coordination of a bacteriochlorophyll cofactor in the Rhodobacter sphaeroides reaction centre
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Marsh, M, Frolov, D, Crouch, L.I, Fyfe, P.K, Robert, B, van Grondelle, R, Jones, M.R, Hadfield, A.T.
Deposit date:2009-11-02
Release date:2010-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural and Spectroscopic Consequences of Hexa-Coordination of a Bacteriochlorophyll Cofactor in the Rhodobacter Sphaeroides Reaction Centre
Biochemistry, 49, 2010
7ZDI
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BU of 7zdi by Molmil
PucB-LH2 complex from Rps. palustris
Descriptor: 1,2-Dihydro-psi,psi-caroten-1-ol, BACTERIOCHLOROPHYLL A, Light-harvesting protein, ...
Authors:Qian, P, Cogdell, R.J, Nguyen-Phan, T.C.
Deposit date:2022-03-29
Release date:2022-10-05
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structures of light-harvesting 2 complexes from Rhodopseudomonas palustris reveal the molecular origin of absorption tuning.
Proc.Natl.Acad.Sci.USA, 119, 2022
7ZE3
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BU of 7ze3 by Molmil
PucD-LH2 complex from Rps. palustris
Descriptor: (3'E)-3',4'-didehydro-1,2-dihydro-psi,psi-caroten-1-ol, BACTERIOCHLOROPHYLL A, Light-harvesting protein B-800-850 alpha chain, ...
Authors:Qian, P, Cogdell, R.J, Nguyen-Phan, T.C.
Deposit date:2022-03-30
Release date:2022-10-05
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structures of light-harvesting 2 complexes from Rhodopseudomonas palustris reveal the molecular origin of absorption tuning.
Proc.Natl.Acad.Sci.USA, 119, 2022
7ZE8
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BU of 7ze8 by Molmil
PucE-LH2 complex from Rps. palustris
Descriptor: 1,2-Dihydro-psi,psi-caroten-1-ol, BACTERIOCHLOROPHYLL A, Light-harvesting protein, ...
Authors:Qian, P, Cogdell, R.J, Nguyen-Phan, T.C.
Deposit date:2022-03-30
Release date:2022-10-05
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structures of light-harvesting 2 complexes from Rhodopseudomonas palustris reveal the molecular origin of absorption tuning.
Proc.Natl.Acad.Sci.USA, 119, 2022
5H84
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BU of 5h84 by Molmil
Human Gcn5 bound to propionyl-CoA
Descriptor: 1,2-ETHANEDIOL, Histone acetyltransferase KAT2A, ISOPROPYL ALCOHOL, ...
Authors:Wolberger, C, Ringel, A.E.
Deposit date:2015-12-23
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for acyl-group discrimination by human Gcn5L2.
Acta Crystallogr D Struct Biol, 72, 2016
5HC7
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BU of 5hc7 by Molmil
Crystal structure of lavandulyl diphosphate synthase from Lavandula x intermedia in complex with S-thiolo-isopentenyldiphosphate
Descriptor: DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, prenyltransference for protein
Authors:Liu, M.X, Liu, W.D, Gao, J, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2016-01-04
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure and Function of a "Head-to-Middle" Prenyltransferase: Lavandulyl Diphosphate Synthase
Angew.Chem.Int.Ed.Engl., 55, 2016
5H86
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BU of 5h86 by Molmil
Human Gcn5 bound to butyryl-CoA
Descriptor: 1,2-ETHANEDIOL, Butyryl Coenzyme A, Histone acetyltransferase KAT2A
Authors:Wolberger, C, Ringel, A.E.
Deposit date:2015-12-23
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural basis for acyl-group discrimination by human Gcn5L2.
Acta Crystallogr D Struct Biol, 72, 2016
4CAS
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BU of 4cas by Molmil
Serial femtosecond crystallography structure of a photosynthetic reaction center
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:Johansson, L.C, Arnlund, D, Katona, G, White, T.A, Barty, A, DePonte, D.P, Shoeman, R.L, Wickstrand, C, Sharma, A, Williams, G.J, Aquila, A, Bogan, M.J, Caleman, C, Davidsson, J, Doak, R.B, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Kassemeyer, S, Kirian, R.A, Kupitz, C, Liang, M, Lomb, L, Malmerberg, E, Martin, A.V, Messerschmidt, M, Nass, K, Redecke, L, Seibert, M.M, Sjohamn, J, Steinbrener, J, Stellato, F, Wang, D, Wahlgren, W.Y, Weierstall, U, Westenhoff, S, Zatsepin, N.A, Boutet, S, Spence, J.C.H, Schlichting, I, Chapman, H.N, Fromme, P, Neutze, R.
Deposit date:2013-10-09
Release date:2013-12-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of a photosynthetic reaction centre determined by serial femtosecond crystallography.
Nat Commun, 4, 2013
2WZC
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BU of 2wzc by Molmil
The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with ADP, 3PG and aluminium tetrafluoride
Descriptor: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Bowler, M.W, Cliff, M.J, Marston, J.P.M, Baxter, N.J, Hownslow, A.M.H, Varga, A.V, Szabo, J, Vas, M, Blackburn, G.M, Waltho, J.P.
Deposit date:2009-11-27
Release date:2010-04-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Transition State Analogue Structures of Human Phosphoglycerate Kinase Establish the Importance of Charge Balance in Catalysis.
J.Am.Chem.Soc., 132, 2010
7ZCU
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BU of 7zcu by Molmil
PucA-LH2 complex from Rps. palustris
Descriptor: 1,2-Dihydro-psi,psi-caroten-1-ol, BACTERIOCHLOROPHYLL A, Light-harvesting protein B-800-850 alpha chain, ...
Authors:Qian, P, Cogdell, R.J.
Deposit date:2022-03-28
Release date:2022-10-12
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structures of light-harvesting 2 complexes from Rhodopseudomonas palustris reveal the molecular origin of absorption tuning.
Proc.Natl.Acad.Sci.USA, 119, 2022
2WUA
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BU of 2wua by Molmil
Structure of the peroxisomal 3-ketoacyl-CoA thiolase from Sunflower
Descriptor: ACETOACETYL COA THIOLASE
Authors:Pye, V.E, Christensen, C.E, Dyer, J.H, Arent, S, Henriksen, A.
Deposit date:2009-10-01
Release date:2010-05-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Peroxisomal Plant 3-Ketoacyl-Coa Thiolases Structure and Activity are Regulated by a Sensitive Redox Switch
J.Biol.Chem., 285, 2010
3Q30
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BU of 3q30 by Molmil
Human Squalene synthase in complex with (2R,3R)-2-Carboxymethoxy-3-[5-(2-naphthalenyl)pentyl]aminocarbonyl-3-[5-(2-naphthalenyl)pentyloxy]propionic acid
Descriptor: (2R,3R)-2-(carboxymethoxy)-4-{[5-(naphthalen-2-yl)pentyl]amino}-3-{[5-(naphthalen-2-yl)pentyl]oxy}-4-oxobutanoic acid, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Suzuki, M, Shimizu, H, Katakura, S, Yamazaki, K, Higashihashi, N, Ichikawa, M, Yokomizo, A, Itoh, M, Sugita, K, Usui, H.
Deposit date:2010-12-21
Release date:2011-12-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors
Bioorg.Med.Chem., 19, 2011
2X14
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BU of 2x14 by Molmil
The catalytically active fully closed conformation of human phosphoglycerate kinase K219A mutant in complex with AMP-PCP and 3PG
Descriptor: 3-PHOSPHOGLYCERIC ACID, MAGNESIUM ION, PHOSPHOGLYCERATE KINASE 1, ...
Authors:Bowler, M.W, Cliff, M.J, Marston, J.P.M, Baxter, N.J, Hownslow, A.M.H, Varga, A.V, Szabo, J, Vas, M, Blackburn, G.M, Waltho, J.P.
Deposit date:2009-12-21
Release date:2010-12-29
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Metal fluorides-multi-functional tools for the study of phosphoryl transfer enzymes, a practical guide.
Structure, 2024
2WZB
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BU of 2wzb by Molmil
The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with ADP, 3PG and magnesium trifluoride
Descriptor: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Bowler, M.W, Cliff, M.J, Marston, J.P.M, Baxter, N.J, Hownslow, A.M.H, Varga, A.V, Szabo, J, Vas, M, Blackburn, G.M, Waltho, J.P.
Deposit date:2009-11-27
Release date:2010-04-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Transition State Analogue Structures of Human Phosphoglycerate Kinase Establish the Importance of Charge Balance in Catalysis.
J.Am.Chem.Soc., 132, 2010

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