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6VUX
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BU of 6vux by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT388
Descriptor: 2-{[(7S)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(piperidin-1-yl)ethyl]acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2020-02-16
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
1PLB
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BU of 1plb by Molmil
HIGH-RESOLUTION SOLUTION STRUCTURE OF REDUCED PARSLEY PLASTOCYANIN
Descriptor: COPPER (II) ION, PLASTOCYANIN
Authors:Bagby, S, Driscoll, P.C, Harvey, T.S, Hill, H.A.O.
Deposit date:1994-05-20
Release date:1994-08-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:High-resolution solution structure of reduced parsley plastocyanin.
Biochemistry, 33, 1994
5GTI
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BU of 5gti by Molmil
Native XFEL structure of photosystem II (two flash dataset)
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:Suga, M, Shen, J.R.
Deposit date:2016-08-20
Release date:2017-03-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL.
Nature, 543, 2017
4RCR
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BU of 4rcr by Molmil
STRUCTURE OF THE REACTION CENTER FROM RHODOBACTER SPHAEROIDES R-26 AND 2.4.1: PROTEIN-COFACTOR (BACTERIOCHLOROPHYLL, BACTERIOPHEOPHYTIN, AND CAROTENOID) INTERACTIONS
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
Authors:Komiya, H, Yeates, T.O, Chirino, A.J, Rees, D.C, Allen, J.P, Feher, G.
Deposit date:1991-09-09
Release date:1993-10-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the reaction center from Rhodobacter sphaeroides R-26 and 2.4.1: protein-cofactor (bacteriochlorophyll, bacteriopheophytin, and carotenoid) interactions.
Proc.Natl.Acad.Sci.USA, 85, 1988
5CBQ
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BU of 5cbq by Molmil
Crystal structure of a T1-like thiolase from Mycobacterium smegmatis
Descriptor: Beta-ketothiolase
Authors:Janardan, N, Murthy, M.R.N.
Deposit date:2015-07-01
Release date:2016-05-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural characterization of a mitochondrial 3-ketoacyl-CoA (T1)-like thiolase from Mycobacterium smegmatis
Acta Crystallogr.,Sect.D, 71, 2015
2X5U
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BU of 2x5u by Molmil
80 microsecond Laue diffraction snapshot from crystals of a photosynthetic reaction centre without illumination.
Descriptor: BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, FE (II) ION, ...
Authors:Wohri, A.B, Katona, G, Johansson, L.C, Fritz, E, Malmerberg, E, Andersson, M, Vincent, J, Eklund, M, Cammarata, M, Wulff, M, Davidsson, J, Groenhof, G, Neutze, R.
Deposit date:2010-02-10
Release date:2010-05-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Light-induced structural changes in a photosynthetic reaction center caught by Laue diffraction.
Science, 328, 2010
5H2F
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BU of 5h2f by Molmil
Crystal structure of the PsbM-deletion mutant of photosystem II
Descriptor: (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Uto, S, Kawakami, K, Umena, Y, Iwai, M, Ikeuchi, M, Shen, J.R, Kamiya, N.
Deposit date:2016-10-15
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutual relationships between structural and functional changes in a PsbM-deletion mutant of photosystem II.
Faraday Discuss., 198, 2017
6VJU
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BU of 6vju by Molmil
Crystal Structure of Cystathionine beta synthase from Legionella pneumophila with LLP, PLP, and homocysteine
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-4-MERCAPTO-BUTYRIC ACID, ACETATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-01-17
Release date:2020-02-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Cystathionine beta synthase from Legionella pneumophila with LLP, PLP, and homocysteine
to be published
6VJC
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BU of 6vjc by Molmil
LmFPPS mutant T164Y in complex with 476A, IPP & Ca
Descriptor: 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ...
Authors:Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B.
Deposit date:2020-01-15
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
3WKF
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BU of 3wkf by Molmil
Crystal structure of cellobiose 2-epimerase
Descriptor: CHLORIDE ION, Cellobiose 2-epimerase, PHOSPHATE ION
Authors:Fujiwara, T, Saburi, W, Tanaka, I, Yao, M.
Deposit date:2013-10-21
Release date:2013-12-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.743 Å)
Cite:Structural Insights into the Epimerization of beta-1,4-Linked Oligosaccharides Catalyzed by Cellobiose 2-Epimerase, the Sole Enzyme Epimerizing Non-anomeric Hydroxyl Groups of Unmodified Sugars
J.Biol.Chem., 289, 2014
3WEA
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BU of 3wea by Molmil
Crystal structure of a Niemann-Pick type C2 protein from Japanese carpenter ant
Descriptor: Niemann-Pick type C2 protein
Authors:Fujimoto, Z, Tsuchiya, W, Ishida, Y, Yamazaki, T.
Deposit date:2013-07-02
Release date:2014-02-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Niemann-Pick type C2 protein mediating chemical communication in the worker ant
Proc.Natl.Acad.Sci.USA, 111, 2014
2WJN
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BU of 2wjn by Molmil
Lipidic sponge phase crystal structure of photosynthetic reaction centre from Blastochloris viridis (high dose)
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Wohri, A.B, Wahlgren, W.Y, Malmerberg, E, Johansson, L.C, Neutze, R, Katona, G.
Deposit date:2009-05-27
Release date:2009-09-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Lipidic sponge phase crystal structure of a photosynthetic reaction center reveals lipids on the protein surface.
Biochemistry, 48, 2009
1N71
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BU of 1n71 by Molmil
Crystal structure of aminoglycoside 6'-acetyltransferase type Ii in complex with coenzyme A
Descriptor: COENZYME A, SULFATE ION, aac(6')-Ii
Authors:Burk, D.L, Ghuman, N, Wybenga-Groot, L.E, Berghuis, A.M.
Deposit date:2002-11-12
Release date:2003-03-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray structure of the AAC(6')-Ii antibiotic resistance enzyme at 1.8 A resolution; examination of oligomeric arrangements in GNAT superfamily members
Protein Sci., 12, 2003
5GM2
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BU of 5gm2 by Molmil
Crystal structure of methyltransferase TleD complexed with SAH and teleocidin A1
Descriptor: (2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one, O-methylransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Yu, F, Li, M.J, Xu, C.Y, Zhou, H, Sun, B, Wang, Z.J, Xu, Q, Xie, M.Y, Zuo, G, Huang, P, Wang, Q.S, He, J.H.
Deposit date:2016-07-12
Release date:2016-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD
Biochem.J., 473, 2016
5KCL
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BU of 5kcl by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT from Aspergillus terreus A8-4 in complex with dimethylallyl S-thiolodiphosphate
Descriptor: DIMETHYLALLYL S-THIOLODIPHOSPHATE, aromatic prenyltransferase
Authors:Sun, F, Gao, B.
Deposit date:2016-06-06
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
2X6Q
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BU of 2x6q by Molmil
Crystal structure of trehalose synthase TreT from P.horikoshi
Descriptor: TREHALOSE-SYNTHASE TRET
Authors:Song, H.-N, Jung, T.-Y, Yoon, S.-M, Lim, M.-Y, Lee, S.-B, Woo, E.-J.
Deposit date:2010-02-19
Release date:2010-10-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights on the New Mechanism of Trehalose Synthesis by Trehalose Synthase Tret from Pyrococcus Horikoshii.
J.Mol.Biol., 404, 2010
5JV1
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BU of 5jv1 by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-066
Descriptor: Farnesyl pyrophosphate synthase, SULFATE ION, [(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid
Authors:Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2016-05-10
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
5GI6
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BU of 5gi6 by Molmil
Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase Bound to CoA and Phenylethylamine
Descriptor: 2-PHENYLETHYLAMINE, COENZYME A, Dopamine N-acetyltransferase
Authors:Yang, Y.C, Cheng, H.C, Lyu, P.C.
Deposit date:2016-06-22
Release date:2017-07-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase Bound to CoA and Phenylethylamine
To Be Published
3OV2
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BU of 3ov2 by Molmil
Curcumin synthase 1 from Curcuma longa
Descriptor: 1,2-ETHANEDIOL, 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 (2.32 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
5KF8
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BU of 5kf8 by Molmil
X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum in complex with glucosamine
Descriptor: 1,2-ETHANEDIOL, 2-amino-2-deoxy-beta-D-glucopyranose, 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, ...
Authors:Holden, H.M, Thoden, J.B, Dopkins, B.J, Tipton, P.A.
Deposit date:2016-06-12
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase.
Biochemistry, 55, 2016
5GTH
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BU of 5gth by Molmil
Native XFEL structure of photosystem II (dark dataset)
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:Suga, M, Shen, J.R.
Deposit date:2016-08-20
Release date:2017-03-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL.
Nature, 543, 2017
5KGP
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BU of 5kgp by Molmil
X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum in complex with chitosan
Descriptor: 1,2-ETHANEDIOL, 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-alpha-D-glucopyranose, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ...
Authors:Dopkins, B.J, Thoden, J.B, Tipton, P.A, Holden, H.M.
Deposit date:2016-06-13
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase.
Biochemistry, 55, 2016
4CRZ
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BU of 4crz by Molmil
Direct visualisation of strain-induced protein prost-translational modification
Descriptor: ACETYL COENZYME *A, ASPARTATE 1-DECARBOXYLASE, MAGNESIUM ION, ...
Authors:Monteiro, D.C.F, Patel, V, Bartlett, C.P, Grant, T.D, Nozaki, S, Gowdy, J.A, Snell, E.H, Niki, H, Pearson, A.R, Webb, M.E.
Deposit date:2014-03-02
Release date:2015-03-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structure of the Pand/Panz Protein Complex Reveals Negative Feedback Regulation of Pantothenate Biosynthesis by Coenzyme A.
Chem.Biol., 22, 2015
7WX7
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BU of 7wx7 by Molmil
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
7KW9
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BU of 7kw9 by Molmil
NMR Structure of a tRNA 2'-phosphotransferase from Runella slithyformis in complex with NAD+
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, tRNA 2'-phosphotransferase
Authors:Alphonse, S, Dantuluri, S, Banerjee, A, Shuman, S, Ghose, R.
Deposit date:2020-11-30
Release date:2021-10-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR solution structures of Runella slithyformis RNA 2'-phosphotransferase Tpt1 provide insights into NAD+ binding and specificity.
Nucleic Acids Res., 49, 2021

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