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3PNB
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BU of 3pnb by Molmil
Phosphopantetheine Adenylyltransferase from Mycobacterium tuberculosis in complex with coenzyme A
Descriptor: COENZYME A, Phosphopantetheine adenylyltransferase
Authors:Wubben, T.J, Mesecar, A.D.
Deposit date:2010-11-18
Release date:2011-06-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure of Mycobacterium tuberculosisphosphopantetheine adenylyltransferase in complex with the feedback inhibitor CoA reveals only one active-site conformation.
Acta Crystallogr.,Sect.F, 67, 2011
5KTT
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BU of 5ktt by Molmil
Crystal structure of Pyrococcus horikoshii quinolinate synthase (NadA) with bound L-malate and Fe4S4 cluster
Descriptor: (2S)-2-hydroxybutanedioic acid, IRON/SULFUR CLUSTER, Quinolinate synthase A
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 (1.5 Å)
Cite:Crystal Structures of the Iron-Sulfur Cluster-Dependent Quinolinate Synthase in Complex with Dihydroxyacetone Phosphate, Iminoaspartate Analogues, and Quinolinate.
Biochemistry, 55, 2016
3KQJ
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BU of 3kqj by Molmil
MurA binary complex with UDP-N-acetylglucosamine
Descriptor: GLYCEROL, PHOSPHATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
Authors:Schonbrunn, E.
Deposit date:2009-11-17
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Natural Product Antibiotic Terreic Acid is a Mechanism-Based Inhibitor of the Bacterial Enzyme MurA in vitro but not in vivo.
To be Published
7Z8D
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BU of 7z8d by Molmil
Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV by fixed-target serial synchrotron crystallography (room temperature, 26keV)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, ...
Authors:Gabdulkhakov, A.G, Selikhanov, G.K, Guenther, S, Petrova, T, Meents, A, Fufina, T.Y, Vasilieva, L.G.
Deposit date:2022-03-17
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV by fixed-target serial synchrotron crystallography (room temperature, 26keV)
To Be Published
2VBA
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BU of 2vba by Molmil
beta-ketoacyl-ACP synthase I (KAS) from E. coli with bound amino- thiazole inhibitor
Descriptor: 2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1
Authors:Pappenberger, G, Schulz-Gasch, T, Bailly, J, Hennig, M.
Deposit date:2007-09-06
Release date:2007-12-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structure-Assisted Discovery of an Aminothiazole Derivative as a Lead Molecule for Inhibition of Bacterial Fatty-Acid Synthesis.
Acta Crystallogr.,Sect.D, 63, 2007
2UXK
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BU of 2uxk by Molmil
X-ray high resolution structure of the photosynthetic reaction center from Rb. sphaeroides at pH 10 in the charge-separated state
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Koepke, J, Diehm, R, Fritzsch, G.
Deposit date:2007-03-28
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Ph Modulates the Quinone Position in the Photosynthetic Reaction Center from Rhodobacter Sphaeroides in the Neutral and Charge Separated States.
J.Mol.Biol., 371, 2007
5HH0
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BU of 5hh0 by Molmil
Crystal structure of human Naa60 in complex with CoA
Descriptor: COENZYME A, N-alpha-acetyltransferase 60
Authors:Chen, J.Y, Liu, L, Yun, C.H.
Deposit date:2016-01-09
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and function of human Naa60 (NatF), a Golgi-localized bi-functional acetyltransferase
Sci Rep, 6, 2016
3KQA
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BU of 3kqa by Molmil
MurA dead-end complex with terreic acid
Descriptor: (5S)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione, CALCIUM ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase
Authors:Schonbrunn, E.
Deposit date:2009-11-17
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The fungal product terreic acid is a covalent inhibitor of the bacterial cell wall biosynthetic enzyme UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) .
Biochemistry, 49, 2010
3KZI
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BU of 3kzi by Molmil
Crystal Structure of Monomeric Form of Cyanobacterial Photosystem II
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:Gabdulkhakov, A, Guskov, A, Broser, M, Kern, J, Zouni, A, Saenger, W.
Deposit date:2009-12-08
Release date:2010-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Crystal Structure of Monomeric Photosystem II from Thermosynechococcus elongatus at 3.6-A Resolution
J.Biol.Chem., 285, 2010
3KR6
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BU of 3kr6 by Molmil
MurA dead-end complex with fosfomycin
Descriptor: UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, [(1R)-1-hydroxypropyl]phosphonic acid
Authors:Schonbrunn, E.
Deposit date:2009-11-17
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The fungal product terreic acid is a covalent inhibitor of the bacterial cell wall biosynthetic enzyme UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) .
Biochemistry, 49, 2010
2UWS
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BU of 2uws by Molmil
X-ray high resolution structure of the photosynthetic reaction center from Rb. sphaeroides at pH 6.5 in the charge-separated state
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
Authors:Koepke, J, Diehm, R, Fritzsch, G.
Deposit date:2007-03-23
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Ph Modulates the Quinone Position in the Photosynthetic Reaction Center from Rhodobacter Sphaeroides in the Neutral and Charge Separated States.
J.Mol.Biol., 371, 2007
5ZGN
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BU of 5zgn by Molmil
The crystal structure of KacTA-DNA complex
Descriptor: DNA (27-MER), KacA, KacT, ...
Authors:Qian, H.L, Yao, Q.Q, Gan, J.H, Ou, H.Y.
Deposit date:2018-03-09
Release date:2019-04-03
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:The crystal structure of KacTA-DNA complex
To Be Published
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
7MYG
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BU of 7myg by Molmil
M. tb Ag85C modified by THL-10d
Descriptor: Diacylglycerol acyltransferase, GLYCEROL
Authors:Sudasinghe, T.D, Ronning, D.R.
Deposit date:2021-05-21
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Total Synthesis of Tetrahydrolipstatin, Its Derivatives, and Evaluation of Their Ability to Potentiate Multiple Antibiotic Classes against Mycobacterium Species.
Acs Infect Dis., 7, 2021
5KTD
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BU of 5ktd by Molmil
FdhC with bound products: Coenzyme A and dTDP-3-amino-3,6-dideoxy-d-glucose
Descriptor: 1,2-ETHANEDIOL, COENZYME A, FdhC, ...
Authors:Salinger, A.J, Thoden, J.B, Holden, H.M.
Deposit date:2016-07-11
Release date:2016-07-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Investigation of FdhC from Acinetobacter nosocomialis: A Sugar N-Acyltransferase Belonging to the GNAT Superfamily.
Biochemistry, 55, 2016
2UXL
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BU of 2uxl by Molmil
X-ray high resolution structure of the photosynthetic reaction center from Rb. sphaeroides at pH 10 in the neutral state, 2nd dataset
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
Authors:Koepke, J, Diehm, R, Fritzsch, G.
Deposit date:2007-03-28
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Ph Modulates the Quinone Position in the Photosynthetic Reaction Center from Rhodobacter Sphaeroides in the Neutral and Charge Separated States.
J.Mol.Biol., 371, 2007
4QXS
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BU of 4qxs by Molmil
Crystal structure of human FPPS in complex with WC01088
Descriptor: (2-{2-[(2S)-3-methylbutan-2-yl]-5-phenyl-1H-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, GLYCEROL, ...
Authors:Park, J, Zielinski, M, Weiling, C, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2014-07-21
Release date:2015-02-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the molecular and structural elements of ligands binding to the active site versus an allosteric pocket of the human farnesyl pyrophosphate synthase.
Bioorg.Med.Chem.Lett., 25, 2015
2VB8
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BU of 2vb8 by Molmil
beta-ketoacyl-ACP synthase I (KAS) from E. coli with bound inhibitor thiolactomycin
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, CHLORIDE ION, THIOLACTOMYCIN
Authors:Pappenberger, G, Schulz-Gasch, T, Bailly, J, Hennig, M.
Deposit date:2007-09-06
Release date:2007-12-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure-Assisted Discovery of an Aminothiazole Derivative as a Lead Molecule for Inhibition of Bacterial Fatty-Acid Synthesis.
Acta Crystallogr.,Sect.D, 63, 2007
5HH1
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BU of 5hh1 by Molmil
Crystal structure of human Naa60 mutant - F34A in complex with CoA
Descriptor: COENZYME A, N-alpha-acetyltransferase 60
Authors:Chen, J.Y, Liu, L, Yun, C.H.
Deposit date:2016-01-09
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Structure and function of human Naa60 (NatF), a Golgi-localized bi-functional acetyltransferase
Sci Rep, 6, 2016
4R3A
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BU of 4r3a by Molmil
Erythrobacter litoralis EL346 blue-light activated histidine kinase
Descriptor: Blue-light-activated histidine kinase 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Tomchick, D.R, Rivera-Cancel, G, Gardner, K.H.
Deposit date:2014-08-14
Release date:2014-12-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Full-length structure of a monomeric histidine kinase reveals basis for sensory regulation.
Proc.Natl.Acad.Sci.USA, 111, 2014
6SDP
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BU of 6sdp by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 4np
Descriptor: Farnesyl diphosphate synthase, P-NITROPHENOL, SULFATE ION, ...
Authors:Magari, F, Heine, A, Klebe, G.
Deposit date:2019-07-29
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 4np
To Be Published
8FV0
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BU of 8fv0 by Molmil
SpeG spermidine N-acetyltransferase from Staphylococcus aureus in complex with spermine
Descriptor: Diamine N-acetyltransferase, SPERMINE
Authors:Tsimbalyuk, S, Forwood, J.K.
Deposit date:2023-01-18
Release date:2023-04-26
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:SpeG spermidine N-acetyltransferase from Staphylococcus aureus in complex with spermine
To Be Published
4F6A
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BU of 4f6a by Molmil
High-resolution x-ray Structure of the tetramutant of BH1408 protein from Bacillus halodurans, Northeast Structural Genomics Consortium (NESG) Target BhR182
Descriptor: BH1408 protein, UNKNOWN LIGAND
Authors:Kuzin, A, Neely, H, Odukwe, N, Seetharaman, J, Patel, P, Xiao, R, Kohan, E, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-05-14
Release date:2012-06-13
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Northeast Structural Genomics Consortium Target BhR182
To be Published
3I4Z
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BU of 3i4z by Molmil
Crystal structure of the dimethylallyl tryptophan synthase FgaPT2 from Aspergillus fumigatus
Descriptor: 1,3-BUTANEDIOL, GLYCEROL, Tryptophan dimethylallyltransferase
Authors:Schall, C, Zocher, G, Stehle, T.
Deposit date:2009-07-03
Release date:2009-09-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:The structure of dimethylallyl tryptophan synthase reveals a common architecture of aromatic prenyltransferases in fungi and bacteria
Proc.Natl.Acad.Sci.USA, 106, 2009
5ZMV
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BU of 5zmv by Molmil
Crystal structure of the E309A mutant of SR Ca2+-ATPase in E2(TG)
Descriptor: OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, ...
Authors:Ogawa, H, Hirata, A, Tsueda, J, Toyoshima, C.
Deposit date:2018-04-06
Release date:2018-12-12
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Mechanism of the E2 to E1 transition in Ca2+pump revealed by crystal structures of gating residue mutants.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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