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361D
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BU of 361d by Molmil
CRYSTAL STRUCTURE OF DOMAIN E OF THERMUS FLAVUS 5S RRNA: A HELICAL RNA-STRUCTURE INCLUDING A TETRALOOP
Descriptor: RNA (5'-R(*CP*UP*GP*GP*GP*CP*GP*GP*GP*CP*GP*AP*CP*CP*GP*CP*C P*UP*GP*G)-3')
Authors:Perbandt, M, Nolte, A, Lorenz, S, Erdmann, V.A, Betzel, C.
Deposit date:1997-11-10
Release date:1998-07-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of domain E of Thermus flavus 5S rRNA: a helical RNA structure including a hairpin loop.
FEBS Lett., 429, 1998
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
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
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
3H9D
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BU of 3h9d by Molmil
Crystal Structure of Trypanosoma brucei ATG8
Descriptor: CALCIUM ION, Microtubule-associated protein 1A/1B, light chain 3, ...
Authors:Koopmann, R, Muhammad, K, Perbandt, M, Betzel, C, Duszenko, M.
Deposit date:2009-04-30
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Trypanosoma brucei ATG8: structural insights into autophagic-like mechanisms in protozoa.
Autophagy, 5, 2009
3C2X
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BU of 3c2x by Molmil
Crystal structure of peptidoglycan recognition protein at 1.8A resolution
Descriptor: GLYCEROL, L(+)-TARTARIC ACID, Peptidoglycan recognition protein, ...
Authors:Sharma, P, Singh, N, Sinha, M, Sharma, S, Perbandt, M, Betzel, C, Kaur, P, Srinivasan, A, Singh, T.P.
Deposit date:2008-01-26
Release date:2008-03-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of the peptidoglycan recognition protein at 1.8 A resolution reveals dual strategy to combat infection through two independent functional homodimers
J.Mol.Biol., 378, 2008
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
3D7W
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BU of 3d7w by Molmil
Mistletoe Lectin I in Complex with Zeatin
Descriptor: (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, (2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Meyer, A, Rypniewski, W, Szymanski, M, Voelter, W, Barciszewski, J, Betzel, C.
Deposit date:2008-05-22
Release date:2008-06-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure of mistletoe lectin I from Viscum album in complex with the phytohormone zeatin
Biochim.Biophys.Acta, 1784, 2008
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
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
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
3UX7
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BU of 3ux7 by Molmil
Crystal structure of a dimeric myotoxic component of the Vipera ammodytes meridionalis venom reveals determinants of myotoxicity and membrane damaging activity
Descriptor: Ammodytin L(1) isoform, SULFATE ION
Authors:Georgieva, D, Coronado, M, Oberthuer, D, Buck, F, Duhalov, D, Arni, R.K, Genov, N, Betzel, C.
Deposit date:2011-12-04
Release date:2012-04-25
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Crystal structure of a dimeric Ser49 PLA(2)-like myotoxic component of the Vipera ammodytes meridionalis venomics reveals determinants of myotoxicity and membrane damaging activity.
Mol Biosyst, 8, 2012
3UOU
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BU of 3uou by Molmil
Crystal structure of the Kunitz-type protease inhibitor ShPI-1 Lys13Leu mutant in complex with pancreatic elastase
Descriptor: Chymotrypsin-like elastase family member 1, GLYCEROL, Kunitz-type proteinase inhibitor SHPI-1, ...
Authors:Garcia-Fernandez, R, Perbandt, M, Rehders, D, Gonzalez-Gonzalez, Y, Chavez, M.A, Betzel, C, Redecke, L.
Deposit date:2011-11-17
Release date:2012-11-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional Structure of a Kunitz-type Inhibitor in Complex with an Elastase-like Enzyme.
J.Biol.Chem., 290, 2015
3KVE
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BU of 3kve by Molmil
Structure of native L-amino acid oxidase from Vipera ammodytes ammodytes: stabilization of the quaternary structure by divalent ions and structural changes in the dynamic active site
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid oxidase, ...
Authors:Gergiova, D, Murakami, M.T, Perbandt, M, Arni, R.K, Betzel, C.
Deposit date:2009-11-30
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structure of native L-amino acid oxidase from Vipera ammodytes ammodytes: stabilization of the quaternary structure by divalent ions and structural changes in the dynamic active site
To be Published
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
4QXD
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BU of 4qxd by Molmil
Crystal structure of Inositol Polyphosphate 1-Phosphatase from Entamoeba histolytica
Descriptor: 3'(2'),5'-bisphosphate nucleotidase, putative, MAGNESIUM ION, ...
Authors:Tarique, K.F, Abdul Rehman, S.A, Betzel, C, Gourinath, S.
Deposit date:2014-07-19
Release date:2014-08-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure-based identification of inositol polyphosphate 1-phosphatase from Entamoeba histolytica
Acta Crystallogr.,Sect.D, 70, 2014
4U2K
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BU of 4u2k by Molmil
X-ray structure uridine phosphorylase from Vibrio cholerae in complex with anticancer compound at 2.13 A resolution
Descriptor: 1,2-ETHANEDIOL, 1-[(2R)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1H,3H)-dione, 1-[(2S)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1H,3H)-dione, ...
Authors:Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M.
Deposit date:2014-07-17
Release date:2015-07-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:X-ray structure uridine phosphorylase from Vibrio cholerae in complex with new anticancer compound at 1.17 A resolution
To Be Published
1ZLB
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BU of 1zlb by Molmil
Crystal structure of catalytically-active phospholipase A2 in the absence of calcium
Descriptor: hypotensive phospholipase A2
Authors:Murakami, M.T, Cintra, A.C, Gabdoulkhakov, A, Genov, N, Betzel, C, Arni, R.K.
Deposit date:2005-05-05
Release date:2006-04-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Insights into metal ion binding in phospholipases A(2): ultra high-resolution crystal structures of an acidic phospholipase A(2) in the Ca(2+) free and bound states.
Biochimie, 88, 2006
1ZL2
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BU of 1zl2 by Molmil
Crystal structure of the uridine phosphorylase from Salmonella typhimurium in complex with 2,2'-anhydrouridine and phosphate ion at 1.85A resolution
Descriptor: 2,2'-Anhydro-(1-beta-D-arabinofuranosyl)uracil, PHOSPHATE ION, Uridine phosphorylase
Authors:Gabdoulkhakov, A.G, Dontsova, M.V, Lashkov, A.A, Betzel, C, Ealick, S, Mikhailov, A.M.
Deposit date:2005-05-05
Release date:2006-05-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the uridine phosphorylase from Salmonella typhimurium in complex with inhibitor and phosphate ion at 1.85A resolution
To be Published
1ZL7
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BU of 1zl7 by Molmil
Crystal structure of catalytically-active phospholipase A2 with bound calcium
Descriptor: CALCIUM ION, GLYCEROL, hypotensive phospholipase A2
Authors:Murakami, M.T, Cintra, A.C, Gabdoulkhakov, A, Genov, N, Betzel, C, Arni, R.K.
Deposit date:2005-05-05
Release date:2006-04-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Insights into metal ion binding in phospholipases A(2): ultra high-resolution crystal structures of an acidic phospholipase A(2) in the Ca(2+) free and bound states.
Biochimie, 88, 2006
2ARM
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BU of 2arm by Molmil
Crystal Structure of the Complex of Phospholipase A2 with a natural compound atropine at 1.2 A resolution
Descriptor: (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION
Authors:Singh, N, Pal, A, Jabeen, T, Sharma, S, Perbandt, M, Betzel, C, Singh, T.P.
Deposit date:2005-08-20
Release date:2005-09-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Crystal structures of the complexes of a group IIA phospholipase A2 with two natural anti-inflammatory agents, anisic acid, and atropine reveal a similar mode of binding
Proteins, 64, 2006
2V6W
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BU of 2v6w by Molmil
tRNASer acceptor stem: Conformation and hydration of a microhelix in a crystal structure at 1.8 Angstrom resolution
Descriptor: 5'-R(*GP*GP*AP*GP*AP*GP*AP)-3', 5'-R(*UP*CP*UP*CP*UP*CP*CP)-3'
Authors:Foerster, C, Brauer, A.B.E, Brode, S, Fuerste, J.P, Betzel, C, Erdmann, V.A.
Deposit date:2007-07-23
Release date:2007-11-06
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Trnaser Acceptor Stem: Conformation and Hydration of a Microhelix in a Crystal Structure at 1.8 A Resolution.
Acta Crystallogr.,Sect.D, 63, 2007
2W89
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BU of 2w89 by Molmil
Crystal structure of the E.coli tRNAArg aminoacyl stem issoacceptor RR-1660 at 2.0 Angstroem resolution
Descriptor: 5'-R(*CP*GP*GP*AP*UP*GP*CP)-3', 5'-R(*GP*CP*AP*UP*CP*CP*GP)-3', GLYCEROL
Authors:Eichert, A, Schreiber, A, Fuerste, J.P, Perbandt, M, Betzel, C, Erdmann, V.A, Foerster, C.
Deposit date:2009-01-15
Release date:2009-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the E. Coli tRNA(Arg) Aminoacyl Stem Isoacceptor Rr-1660 at 2.0 A Resolution.
Biochem.Biophys.Res.Commun., 385, 2009
7Q0Z
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BU of 7q0z by Molmil
Crystal structure of CTX-M-14
Descriptor: Beta-lactamase, GLYCEROL, SULFATE ION
Authors:Werner, N, Perbandt, M, Hinrichs, W, Prester, A, Rohde, H, Aepfelbacher, M, Betzel, C.
Deposit date:2021-10-17
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural basis to repurpose boron-based proteasome inhibitors Bortezomib and Ixazomib as beta-lactamase inhibitors.
Sci Rep, 12, 2022
7Q0Y
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BU of 7q0y by Molmil
Crystal structure of CTX-M-14 in complex with Bortezomib
Descriptor: ACETATE ION, Beta-lactamase, CHLORIDE ION, ...
Authors:Werner, N, Perbandt, M, Hinrichs, W, Prester, A, Rohde, H, Aepfelbacher, M, Betzel, C.
Deposit date:2021-10-17
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis to repurpose boron-based proteasome inhibitors Bortezomib and Ixazomib as beta-lactamase inhibitors.
Sci Rep, 12, 2022

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