7OFS
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![BU of 7ofs by Molmil](/molmil-images/mine/7ofs) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol | Descriptor: | 4-(2-hydroxyethyl)phenol, CHLORIDE ION, GLYCEROL, ... | Authors: | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Ewert, W, Sprenger, J, Koua, F, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Wolf, M, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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4X46
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![BU of 4x46 by Molmil](/molmil-images/mine/4x46) | X-RAY structure thymidine phosphorylase from Salmonella typhimurium complex with SO4 at 2.19 A | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Thymidine phosphorylase | Authors: | Balaev, V.V, Lashkov, A.A, Prokofev, I.I, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M. | Deposit date: | 2014-12-02 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-RAY structure thymidine phosphorylase from Salmonella typhimurium complex with SO4 at 2.19 A To Be Published
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1JQ8
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![BU of 1jq8 by Molmil](/molmil-images/mine/1jq8) | Design of specific inhibitors of phospholipase A2: Crystal structure of a complex formed between phospholipase A2 from Daboia russelli pulchella and a designed pentapeptide Leu-Ala-Ile-Tyr-Ser at 2.0 resolution | Descriptor: | ACETIC ACID, Peptide inhibitor, Phospholipase A2, ... | Authors: | Chandra, V, Jasti, J, Kaur, P, Dey, S, Betzel, C, Singh, T.P. | Deposit date: | 2001-08-04 | Release date: | 2002-11-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design of specific peptide inhibitors of phospholipase A2: structure of a complex formed between Russell's viper phospholipase A2 and a designed peptide Leu-Ala-Ile-Tyr-Ser (LAIYS). ACTA CRYSTALLOGR.,SECT.D, 58, 2002
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4XR5
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![BU of 4xr5 by Molmil](/molmil-images/mine/4xr5) | X-ray structure of the unliganded thymidine phosphorylase from Salmonella typhimurium at 2.05 A resolution | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL, ... | Authors: | Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M. | Deposit date: | 2015-01-20 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine. Acta Crystallogr.,Sect.F, 72, 2016
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5OLN
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![BU of 5oln by Molmil](/molmil-images/mine/5oln) | X-Ray Structure of the Complex Pyrimidine-nucleoside phosphorylase from Bacillus subtilis at 1.88 A | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, Pyrimidine-nucleoside phosphorylase, ... | Authors: | Balaev, V.V, Prokofev, I.I, Gabdoulkhakov, A.G, Betzel, C, Lashkov, A.A. | Deposit date: | 2017-07-28 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structure of pyrimidine-nucleoside phosphorylase from Bacillus subtilis in complex with imidazole and sulfate. Acta Crystallogr F Struct Biol Commun, 74, 2018
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2AYW
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![BU of 2ayw by Molmil](/molmil-images/mine/2ayw) | Crystal Structure of the complex formed between trypsin and a designed synthetic highly potent inhibitor in the presence of benzamidine at 0.97 A resolution | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID, BENZAMIDINE, ... | Authors: | Sherawat, M, Kaur, P, Perbandt, M, Betzel, C, Slusarchyk, W.A, Bisacchi, G.S, Chang, C, Jacobson, B.L, Einspahr, H.M, Singh, T.P. | Deposit date: | 2005-09-09 | Release date: | 2006-01-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Structure of the complex of trypsin with a highly potent synthetic inhibitor at 0.97 A resolution. Acta Crystallogr.,Sect.D, 63, 2007
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3H9D
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![BU of 3h9d by Molmil](/molmil-images/mine/3h9d) | 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
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3KVE
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![BU of 3kve by Molmil](/molmil-images/mine/3kve) | 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
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439D
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![BU of 439d by Molmil](/molmil-images/mine/439d) | 5'-R(*CP*UP*GP*GP*GP*CP*GP*G)-3', 5'-R(*CP*CP*GP*CP*CP*UP*GP*G)-3' | Descriptor: | BARIUM ION, RNA (5'-R(*CP*CP*GP*CP*CP*UP*GP*G)-3'), RNA (5'-R(*CP*UP*GP*GP*GP*CP*GP*G)-3') | Authors: | Perbandt, M, Lorenz, S, Vallazza, M, Erdmann, V.A, Betzel, C. | Deposit date: | 1999-01-05 | Release date: | 2001-09-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of an RNA duplex with an unusual G.C pair in wobble-like conformation at 1.6 A resolution. Acta Crystallogr.,Sect.D, 57, 2001
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8CJ4
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![BU of 8cj4 by Molmil](/molmil-images/mine/8cj4) | Crystal structure of ClpP from Staphylococcus epidermidis, tetradecamer | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit | Authors: | Alves Franca, B, Rohde, H, Betzel, C. | Deposit date: | 2023-02-12 | Release date: | 2024-01-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular insights into the dynamic modulation of bacterial ClpP function and oligomerization by peptidomimetic boronate compounds. Sci Rep, 14, 2024
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8C5W
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![BU of 8c5w by Molmil](/molmil-images/mine/8c5w) | Crystal Structure of Penicillin-binding Protein 3 (PBP3) from Staphylococcus Epidermidis in complex with Cefotaxime | Descriptor: | CEFOTAXIME, C3' cleaved, open, ... | Authors: | Schwinzer, M, Brognaro, H, Rohde, H, Betzel, C. | Deposit date: | 2023-01-10 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure and Dynamics of the Penicillin-Binding Protein 3 from Staphylococcus Epidermidis Native and in Complex with Cefotaxime and Vaborbactam Int J Appl Biol Pharm, 2023
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8C5B
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8C5O
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1BH6
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![BU of 1bh6 by Molmil](/molmil-images/mine/1bh6) | SUBTILISIN DY IN COMPLEX WITH THE SYNTHETIC INHIBITOR N-BENZYLOXYCARBONYL-ALA-PRO-PHE-CHLOROMETHYL KETONE | Descriptor: | CALCIUM ION, N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-4-PHENYL-BUTAN-2-OL, SODIUM ION, ... | Authors: | Eschenburg, S, Genov, N, Wilson, K.S, Betzel, C. | Deposit date: | 1998-06-15 | Release date: | 1998-11-04 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of subtilisin DY, a random mutant of subtilisin Carlsberg. Eur.J.Biochem., 257, 1998
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1BJR
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![BU of 1bjr by Molmil](/molmil-images/mine/1bjr) | COMPLEX FORMED BETWEEN PROTEOLYTICALLY GENERATED LACTOFERRIN FRAGMENT AND PROTEINASE K | Descriptor: | CALCIUM ION, LACTOFERRIN, PROTEINASE K | Authors: | Singh, T.P, Sharma, S, Karthikeyan, S, Betzel, C, Bhatia, K.L. | Deposit date: | 1998-06-27 | Release date: | 1998-11-04 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal structure of a complex formed between proteolytically-generated lactoferrin fragment and proteinase K. Proteins, 33, 1998
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3GVN
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![BU of 3gvn by Molmil](/molmil-images/mine/3gvn) | The 1.2 Angstroem crystal structure of an E.coli tRNASer acceptor stem microhelix reveals two magnesium binding sites | Descriptor: | 5'-R(*CP*CP*UP*CP*AP*CP*C)-3', 5'-R(*GP*GP*UP*GP*AP*GP*G)-3', MAGNESIUM ION | Authors: | Eichert, A, Furste, J.P, Schreiber, A, Perbandt, M, Betzel, C, Erdmann, V.A, Forster, C. | Deposit date: | 2009-03-31 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The 1.2A crystal structure of an E. coli tRNASer)acceptor stem microhelix reveals two magnesium binding sites. Biochem.Biophys.Res.Commun., 386, 2009
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2ARM
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![BU of 2arm by Molmil](/molmil-images/mine/2arm) | 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
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3R3L
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![BU of 3r3l by Molmil](/molmil-images/mine/3r3l) | Structure of NP protein from Lassa AV strain | Descriptor: | MANGANESE (II) ION, Nucleoprotein, ZINC ION | Authors: | Perbandt, M, Brunotte, L, Gunther, S, Betzel, C. | Deposit date: | 2011-03-16 | Release date: | 2011-09-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.449 Å) | Cite: | Structure of the Lassa virus nucleoprotein revealed by X-ray crystallography, small-angle X-ray scattering, and electron microscopy. J.Biol.Chem., 286, 2011
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6GTH
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![BU of 6gth by Molmil](/molmil-images/mine/6gth) | Serial Femtosecond Crystallography at Megahertz pulse rates | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | Authors: | Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H. | Deposit date: | 2018-06-18 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Megahertz serial crystallography. Nat Commun, 9, 2018
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3UOU
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![BU of 3uou by Molmil](/molmil-images/mine/3uou) | 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
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4N4Z
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![BU of 4n4z by Molmil](/molmil-images/mine/4n4z) | Trypanosoma brucei procathepsin B structure solved by Serial Microcrystallography using synchrotron radiation | 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: | Gati, C, Bourenkov, G, Klinge, M, Rehders, D, Stellato, F, Oberthuer, D, White, T.A, Yevanov, O, Sommer, B.P, Mogk, S, Duszenko, M, Betzel, C, Schneider, T.R, Chapman, H.N, Redecke, L. | Deposit date: | 2013-10-08 | Release date: | 2014-02-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Serial crystallography on in vivo grown microcrystals using synchrotron radiation. IUCrJ, 1, 2014
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3UX7
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![BU of 3ux7 by Molmil](/molmil-images/mine/3ux7) | 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
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4O34
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![BU of 4o34 by Molmil](/molmil-images/mine/4o34) | Room temperature macromolecular serial crystallography using synchrotron radiation | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Stellato, F, Oberthuer, D, Liang, M, Bean, R, Gati, C, Yefanov, O, Barty, A, Burkhardt, A, Fischer, P, Galli, L, Kirian, R.A, Mayer, J, Pannerselvam, S, Yoon, C.H, Chervinskii, F, Speller, E, White, T.A, Betzel, C, Meents, A, Chapman, H.N. | Deposit date: | 2013-12-18 | Release date: | 2014-06-11 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Room-temperature macromolecular serial crystallography using synchrotron radiation. IUCrJ, 1, 2014
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6FDG
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4OGL
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![BU of 4ogl by Molmil](/molmil-images/mine/4ogl) | X-ray structure uridine phosphorylase from Vibrio cholerae in complex with thymine at 1.25 A resolution | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | Authors: | Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M. | Deposit date: | 2014-01-16 | Release date: | 2015-03-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.249 Å) | Cite: | X-ray structure uridine phosphorylase from Vibrio cholerae in complex with thymine at 1.25 A resolution Crystallogr. Rep., 2016
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