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6FJS
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BU of 6fjs by Molmil
Proteinase~K SIRAS phased structure of room-temperature, serially collected synchrotron data
Descriptor: CALCIUM ION, Proteinase K
Authors:Botha, S, Baitan, D, Jungnickel, K.E.J, Oberthuer, D, Schmidt, C, Stern, S, Wiedorn, M.O, Perbandt, M, Chapman, H.N, Betzel, C.
Deposit date:2018-01-23
Release date:2018-10-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:De novoprotein structure determination by heavy-atom soaking in lipidic cubic phase and SIRAS phasing using serial synchrotron crystallography.
IUCrJ, 5, 2018
7ABU
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BU of 7abu by Molmil
Structure of SARS-CoV-2 Main Protease bound to RS102895
Descriptor: 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
Authors:Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-09-08
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7ADW
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BU of 7adw by Molmil
Structure of SARS-CoV-2 Main Protease bound to 2,4'-Dimethylpropiophenone.
Descriptor: 2-methyl-1-(4-methylphenyl)propan-1-one, 3C-like proteinase, CHLORIDE ION, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-09-16
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7A1U
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BU of 7a1u by Molmil
Structure of SARS-CoV-2 Main Protease bound to Fusidic Acid.
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, FUSIDIC ACID, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Andaleeb, H, Werner, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-08-14
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
6Y0H
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BU of 6y0h by Molmil
High resolution structure of GH11 xylanase from Nectria haematococca
Descriptor: Endo-1,4-beta-xylanase
Authors:Andaleeb, H, Betzel, C, Perbandt, M, Brognaro, H.
Deposit date:2020-02-07
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1 Å)
Cite:High-resolution crystal structure and biochemical characterization of a GH11 endoxylanase from Nectria haematococca.
Sci Rep, 10, 2020
4R8I
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BU of 4r8i by Molmil
High Resolution Structure of a Mirror-Image RNA Oligonucleotide Aptamer in Complex with the Chemokine CCL2
Descriptor: C-C motif chemokine 2, Mirror-Image RNA Oligonucleotide Aptamer NOXE36, POTASSIUM ION, ...
Authors:Oberthuer, D, Achenbach, J, Gabdulkhakov, A, Falke, S, Buchner, K, Maasch, C, Rehders, D, Klussmann, S, Betzel, C.
Deposit date:2014-09-02
Release date:2015-04-29
Last modified:2015-05-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of a mirror-image L-RNA aptamer (Spiegelmer) in complex with the natural L-protein target CCL2.
Nat Commun, 6, 2015
5COJ
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BU of 5coj by Molmil
Structure of Hydroxyethylthiazole kinase ThiM from Staphylococcus aureus in complex with native substrate 2-(4-methyl-1,3-thiazol-5-yl)ethanol.
Descriptor: 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, Hydroxyethylthiazole kinase, MAGNESIUM ION
Authors:Drebes, J, Kuenz, M, Eberle, R.J, Oberthuer, D, Cang, H, Wrenger, C, Betzel, C.
Deposit date:2015-07-20
Release date:2016-03-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections.
Sci Rep, 6, 2016
6HMZ
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BU of 6hmz by Molmil
Crystal Structure of a Single-Domain Cyclophilin from Brassica napus Phloem Sap
Descriptor: Cyclosporin, MAGNESIUM ION, MALONATE ION, ...
Authors:Falke, S, Hanhart, P, Garbe, M, Thiess, M, Betzel, C, Kehr, J.
Deposit date:2018-09-13
Release date:2018-11-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Enzyme activity and structural features of three single-domain phloem cyclophilins from Brassica napus.
Sci Rep, 9, 2019
5CM5
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BU of 5cm5 by Molmil
Structure of Hydroxyethylthiazole Kinase ThiM from Staphylococcus aureus
Descriptor: Hydroxyethylthiazole kinase
Authors:Drebes, J, Kuenz, M, Eberle, R.J, Oberthuer, D, Cang, H, Wrenger, C, Betzel, C.
Deposit date:2015-07-16
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections.
Sci Rep, 6, 2016
5CGA
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BU of 5cga by Molmil
Structure of Hydroxyethylthiazole kinase ThiM from Staphylococcus aureus in complex with substrate analog 2-(1,3,5-trimethyl-1H-pyrazole-4-yl)ethanol
Descriptor: 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanol, Hydroxyethylthiazole kinase, MAGNESIUM ION
Authors:Kuenz, M, Drebes, J, Windshuegel, B, Cang, H, Wrenger, C, Betzel, C.
Deposit date:2015-07-09
Release date:2016-03-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections.
Sci Rep, 6, 2016
5CGE
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BU of 5cge by Molmil
Structure of Hydroxyethylthiazole Kinase ThiM from Staphylococcus aureus in complex with substrate analog 2-(2-methyl-1H-imidazole-1-yl)ethanol
Descriptor: 2-(2-methyl-1H-imidazol-1-yl)ethanol, Hydroxyethylthiazole kinase, MAGNESIUM ION
Authors:Kuenz, M, Drebes, J, Windshuegel, B, Cang, H, Wrenger, C, Betzel, C.
Deposit date:2015-07-09
Release date:2016-03-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections.
Sci Rep, 6, 2016
3G8F
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BU of 3g8f by Molmil
Crystal structure of the complex formed between a group II phospholipase A2 and designed peptide inhibitor carbobenzoxy-dehydro-val-ala-arg-ser at 1.2 A resolution
Descriptor: PHQ VAL ALA ARG SER peptide, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION
Authors:Singh, N, Kaur, P, Prem Kumar, R, Somvanshi, R.K, Perbandt, M, Betzel, C, Dey, S, Sharma, S, Singh, T.P.
Deposit date:2009-02-12
Release date:2009-03-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structure of the Complex Formed between a Group II Phospholipase A2 and Designed Peptide Inhibitor Carbobenzoxy-Dehydro-Val-Ala-Arg-Ser at 1.2 A Resolution
To be Published
1L3P
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BU of 1l3p by Molmil
CRYSTAL STRUCTURE OF THE FUNCTIONAL DOMAIN OF THE MAJOR GRASS POLLEN ALLERGEN Phl p 5b
Descriptor: MAGNESIUM ION, PHOSPHATE ION, POLLEN ALLERGEN Phl p 5b
Authors:Rajashankar, K.R, Bufe, A, Weber, W, Eschenburg, S, Lindner, B, Betzel, C.
Deposit date:2002-02-28
Release date:2003-02-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of the functional domain of the major grass-pollen allergen Phlp 5b.
Acta Crystallogr.,Sect.D, 58, 2002
3SIM
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BU of 3sim by Molmil
Crystallographic structure analysis of family 18 Chitinase from Crocus vernus
Descriptor: ACETATE ION, GLYCEROL, Protein, ...
Authors:Akrem, A, Iqbal, S, Buck, F, Negm, A, Perbandt, M, Betzel, C.
Deposit date:2011-06-19
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic structure analysis of family 18 Chitinase from Crocus vernus
TO BE PUBLISHED
3T62
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BU of 3t62 by Molmil
Crystal structure of recombinant Kunitz Type serine protease Inhibitor-1 from the Caribbean Sea anemone Stichodactyla helianthus in complex with bovine chymotrypsin
Descriptor: Chymotrypsinogen A, Kunitz-type proteinase inhibitor SHPI-1, SULFATE ION
Authors:Garcia-Fernandez, R, Dominguez, R, Oberthuer, D, Pons, T, Gonzalez-Gonzalez, Y, Chavez, M.A, Betzel, C, Redecke, L.
Deposit date:2011-07-28
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into chymotrypsin inhibition by the Kunitz-type inhibitor-1 from the marine invertebrate Stichodactyla helianthus
To be Published
3U8E
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BU of 3u8e by Molmil
Crystal Structure of Cysteine Protease from Bulbs of Crocus sativus at 1.3 A Resolution
Descriptor: GLYCEROL, Papain-like Cysteine Protease, SODIUM ION, ...
Authors:Iqbal, S, Akrem, A, Buck, F, Perbandt, M, Banumathi, S, Betzel, C.
Deposit date:2011-10-17
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Crystal Structure of A Papain-like Cysteine Protease from Bulbs of Crocus sativum at 1.3 A resolution
To be Published
5D73
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BU of 5d73 by Molmil
Structure of Wuchereria bancrofti pi-class glutathione S-transferase
Descriptor: GLUTATHIONE, Glutathione S-transferase
Authors:Prince, P.R, Sakthidevi, M, Madhumathi, J, Perbandt, M, Betzel, C, Kaliraj, P.
Deposit date:2015-08-13
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:STRUCTURE OF WUCHERERIA BANCROFTI PI-CLASS GLUTATHIONE S-TRANSFERASE
TO BE PUBLISHED
4K6O
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BU of 4k6o by Molmil
X-ray structure uridine phosphorylase from Vibrio cholerae in complex with 6-methyluracil at 1.17 A resolution
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-methylpyrimidine-2,4-diol, ...
Authors:Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M.
Deposit date:2013-04-16
Release date:2014-05-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Crystallization and preliminary X-ray study of Vibrio cholerae uridine phosphorylase in complex with 6-methyluracil.
Acta Crystallogr.,Sect.F, 70, 2014
7B83
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BU of 7b83 by Molmil
Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc
Descriptor: 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-12-12
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
4HWY
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BU of 4hwy by Molmil
Trypanosoma brucei procathepsin B solved from 40 fs free-electron laser pulse data by serial femtosecond X-ray crystallography
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Redecke, L, Nass, K, DePonte, D.P, White, T.A, Rehders, D, Barty, A, Stellato, F, Liang, M, Barends, T.R.M, Boutet, S, Williams, G.W, Messerschmidt, M, Seibert, M.M, Aquila, A, Arnlund, D, Bajt, S, Barth, T, Bogan, M.J, Caleman, C, Chao, T.-C, Doak, R.B, Fleckenstein, H, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Johansson, L.C, Kassemeyer, S, Katona, G, Kirian, R.A, Koopmann, R, Kupitz, C, Lomb, L, Martin, A.V, Mogk, S, Neutze, R, Shoemann, R.L, Steinbrener, J, Timneanu, N, Wang, D, Weierstall, U, Zatsepin, N.A, Spence, J.C.H, Fromme, P, Schlichting, I, Duszenko, M, Betzel, C, Chapman, H.
Deposit date:2012-11-09
Release date:2012-12-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Natively inhibited Trypanosoma brucei cathepsin B structure determined by using an X-ray laser.
Science, 339, 2013
5EY3
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BU of 5ey3 by Molmil
X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with cytidine and sulphate
Descriptor: 1,2-ETHANEDIOL, 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, GLYCEROL, ...
Authors:Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M.
Deposit date:2015-11-24
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with cytidine and sulphate
To Be Published
6Z27
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BU of 6z27 by Molmil
Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV LCP crystallization
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, BACTERIOCHLOROPHYLL A, ...
Authors:Gabdulkhakov, A.G, Fufina, T.Y, Vasilieva, L.G, Betzel, C, Selikhanov, G.K.
Deposit date:2020-05-15
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel approaches for the lipid sponge phase crystallization of the Rhodobacter sphaeroides photosynthetic reaction center.
Iucrj, 7, 2020
4LZW
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BU of 4lzw by Molmil
X-ray structure uridine phosphorylase from Vibrio cholerae in complex with thymidine at 1.29 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, ETHANOL, ...
Authors:Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M.
Deposit date:2013-08-01
Release date:2014-12-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:X-ray structures of uridine phosphorylase from Vibrio cholerae in complexes with uridine, thymidine, uracil, thymine, and phosphate anion: Substrate specificity of bacterial uridine phosphorylases
Crystallography Reports, 2016
6Z02
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BU of 6z02 by Molmil
Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV in surfo crystallization
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, ...
Authors:Gabdulkhakov, A.G, Selikhanov, G.K, Fufina, T.Y, Vasilieva, L.G, Betzel, C.
Deposit date:2020-05-07
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel approaches for the lipid sponge phase crystallization of the Rhodobacter sphaeroides photosynthetic reaction center.
Iucrj, 7, 2020
5EFO
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BU of 5efo by Molmil
X-ray structure uridine phosphorylase from Vibrio cholerae in complex with cytidine and cytosine at 1.63A.
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ...
Authors:Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M.
Deposit date:2015-10-24
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:X-ray structure uridine phosphorylase from Vibrio cholerae in complex with uridine at 2.24 A resolution
To Be Published

224004

数据于2024-08-21公开中

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