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353D
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BU of 353d by Molmil
CRYSTAL STRUCTURE OF DOMAIN A OF THERMUS FLAVUS 5S RRNA AND THE CONTRIBUTION OF WATER MOLECULES TO ITS STRUCTURE
Descriptor: RNA (5'-R(*AP*UP*CP*CP*CP*CP*CP*GP*UP*GP*CP*C)-3'), RNA (5'-R(*GP*GP*UP*GP*CP*GP*GP*GP*GP*GP*AP*U)-3')
Authors:Betzel, C, Lorenz, S, Furste, J.P, Bald, R, Zhang, M, Schneider, T.R, Wilson, K.S, Erdmann, V.A.
Deposit date:1997-09-29
Release date:1997-11-10
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of domain A of Thermus flavus 5S rRNA and the contribution of water molecules to its structure.
FEBS Lett., 351, 1994
2CTX
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BU of 2ctx by Molmil
THE REFINED CRYSTAL STRUCTURE OF ALPHA-COBRATOXIN FROM NAJA NAJA SIAMENSIS AT 2.4-ANGSTROMS RESOLUTION
Descriptor: ALPHA-COBRATOXIN
Authors:Betzel, C, Lange, G, Pal, G.P, Wilson, K.S, Maelicke, A, Saenger, W.
Deposit date:1991-09-24
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The refined crystal structure of alpha-cobratoxin from Naja naja siamensis at 2.4-A resolution.
J.Biol.Chem., 266, 1991
2PRK
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BU of 2prk by Molmil
SYNCHROTRON X-RAY DATA COLLECTION AND RESTRAINED LEAST-SQUARES REFINEMENT OF THE CRYSTAL STRUCTURE OF PROTEINASE K AT 1.5 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, PROTEINASE K
Authors:Betzel, C, Pal, G.P, Saenger, W.
Deposit date:1987-11-30
Release date:1988-04-16
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Synchrotron X-ray data collection and restrained least-squares refinement of the crystal structure of proteinase K at 1.5 A resolution.
Acta Crystallogr.,Sect.B, 44, 1988
1IC6
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BU of 1ic6 by Molmil
STRUCTURE OF A SERINE PROTEASE PROTEINASE K FROM TRITIRACHIUM ALBUM LIMBER AT 0.98 A RESOLUTION
Descriptor: CALCIUM ION, NITRATE ION, PROTEINASE K
Authors:Betzel, C, Gourinath, S, Kumar, P, Kaur, P, Perbandt, M, Eschenburg, S, Singh, T.P.
Deposit date:2001-03-30
Release date:2001-04-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Structure of a serine protease proteinase K from Tritirachium album limber at 0.98 A resolution.
Biochemistry, 40, 2001
1PEK
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BU of 1pek by Molmil
STRUCTURE OF THE COMPLEX OF PROTEINASE K WITH A SUBSTRATE-ANALOGUE HEXA-PEPTIDE INHIBITOR AT 2.2 ANGSTROMS RESOLUTION
Descriptor: D-DAL-ALA-NH2, PEPTIDE PRO-ALA-PRO-PHE, PROTEINASE K
Authors:Betzel, C, Singh, T.P, Visanji, M, Peters, K, Fittkau, S, Saenger, W, Wilson, K.S.
Deposit date:1993-01-19
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the complex of proteinase K with a substrate analogue hexapeptide inhibitor at 2.2-A resolution.
J.Biol.Chem., 268, 1993
1SVN
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BU of 1svn by Molmil
SAVINASE
Descriptor: CALCIUM ION, SAVINASE (TM)
Authors:Betzel, C, Klupsch, S, Papendorf, G, Hastrup, S, Branner, S, Wilson, K.S.
Deposit date:1995-09-01
Release date:1996-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the alkaline proteinase Savinase from Bacillus lentus at 1.4 A resolution.
J.Mol.Biol., 223, 1992
1EGP
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BU of 1egp by Molmil
PROTEINASE INHIBITOR EGLIN C WITH HYDROLYSED REACTIVE CENTER
Descriptor: EGLIN-C
Authors:Dauter, Z, Lamzin, V, Betzel, C, Wilson, K.S.
Deposit date:1995-09-01
Release date:1995-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the proteinase inhibitor eglin c with hydrolysed reactive centre at 2.0 A resolution.
FEBS Lett., 317, 1993
7NEV
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BU of 7nev by Molmil
Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin
Descriptor: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, 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, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, 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, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, 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:2021-02-05
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
4X46
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BU of 4x46 by Molmil
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
7NFV
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BU of 7nfv by Molmil
Structure of SARS-CoV-2 Papain-like protease PLpro
Descriptor: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Srinivasan, V, Gunther, S, Reinke, P, Werner, N, Falke, S, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Sprenger, J, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Koua, F, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Ewert, W, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Ehrt, C, Rarey, M, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Hinrichs, W, Meents, A, Betzel, C.
Deposit date:2021-02-07
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 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
6YNQ
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BU of 6ynq by Molmil
Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone.
Descriptor: (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-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:2020-04-14
Release date:2020-04-29
Last modified:2024-01-24
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
6YVF
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BU of 6yvf by Molmil
Structure of SARS-CoV-2 Main Protease bound to AZD6482.
Descriptor: 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM 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:2020-04-28
Release date:2020-05-20
Last modified:2024-01-24
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
8R7M
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BU of 8r7m by Molmil
CTX-M14 in complex with boric acid and 1,2-diol boric ester
Descriptor: BORIC ACID, Beta-lactamase, GLYCEROL, ...
Authors:Werner, N, Prester, A, Hinrichs, W, Perbandt, M, Betzel, C.
Deposit date:2023-11-26
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1 Å)
Cite:Time-resolved crystallography of boric acid binding to the active site serine of the Beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification
To Be Published
8QYF
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BU of 8qyf by Molmil
Crystal structure of ClpP from Staphylococcus epidermidis in complex with ixazomib
Descriptor: ATP-dependent Clp protease proteolytic subunit, [(1~{R})-1-[2-[[2,5-bis(chloranyl)phenyl]carbonylamino]ethanoylamino]-3-methyl-butyl]boronic acid
Authors:Franca, B.A, Rohde, H, Betzel, C.
Deposit date:2023-10-26
Release date:2024-01-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Molecular insights into the dynamic modulation of bacterial ClpP function and oligomerization by peptidomimetic boronate compounds.
Sci Rep, 14, 2024
1BH6
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BU of 1bh6 by Molmil
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
1BJR
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BU of 1bjr by Molmil
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
1AOK
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BU of 1aok by Molmil
VIPOXIN COMPLEX
Descriptor: ACETATE ION, VIPOXIN COMPLEX
Authors:Perbandt, M, Wilson, J.C, Eschenburg, S, Betzel, C.
Deposit date:1997-07-07
Release date:1998-01-21
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of vipoxin at 2.0 A: an example of regulation of a toxic function generated by molecular evolution.
FEBS Lett., 412, 1997
5IN2
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BU of 5in2 by Molmil
Crystal structure of extra cellular Cu/Zn Superoxide Dismutase from Onchocerca volvulus at 1.5 Angstrom; Insight into novel binding site and new inhibitors
Descriptor: AZIDE ION, CHLORIDE ION, COPPER (II) ION, ...
Authors:Moustafa, A, Betzel, C, Perbandt, M.
Deposit date:2016-03-07
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of extracellular Cu/Zn Superoxide Dismutase from Onchocerca volvulus at 1.5 Angstrom; Insight into novel binding site and new inhibitors
To Be Published
5Z4V
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BU of 5z4v by Molmil
Crystal structure of the sheep signalling glycoprotein (SPS-40) complex with 2-methyl-2-4-pentanediol at 1.65A resolution reveals specific binding characteristics of SPS-40
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1
Authors:Sharma, P, Singh, P.K, Singh, N, Sharma, S, Kaur, P, Betzel, C, Singh, T.P.
Deposit date:2018-01-15
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the sheep signalling glycoprotein (SPS-40) complex with 2-methyl-2-4-pentanediol at 1.65A resolution reveals specific binding characteristics of SPS-40
To Be Published
6FDG
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BU of 6fdg by Molmil
Novel crystal structure of DHNA-CoA Thioesterase from Staphylococcus aureus
Descriptor: 4-hydroxybenzoyl-CoA thioesterase
Authors:Murad, A.M, Betzel, C, Wrenger, C.
Deposit date:2017-12-22
Release date:2018-02-21
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Novel crystal structure of DHNA-CoA Thioesterase from Staphylococcus aureus
To Be Published
1KPM
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BU of 1kpm by Molmil
First Structural Evidence of a Specific Inhibition of Phospholipase A2 by Vitamin E and its Implications in Inflammation: Crystal Structure of the Complex Formed between Phospholipase A2 and Vitamin E at 1.8 A Resolution.
Descriptor: ACETIC ACID, Phospholipase A2, VITAMIN E
Authors:Chandra, V, Jasti, J, Kaur, P, Betzel, C, Srinivasan, A, Singh, T.P.
Deposit date:2002-01-01
Release date:2002-07-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:First Structural Evidence of a Specific Inhibition of Phospholipase A2 by alpha-Tocopherol (Vitamin E) and its Implications in Inflammation: Crystal Structure of the Complex Formed Between Phospholipase A2 and alpha-Tocopherol at 1.8 A Resolution
J.Mol.Biol., 320, 2002
6GTH
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BU of 6gth by Molmil
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
6RFU
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BU of 6rfu by Molmil
In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of ATP and GMP as genuine co-factors
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase
Authors:Nass, K, Redecke, L, Perbandt, M, Yefanov, O, Gabdulkhakov, A, Duszenko, M, Chapman, H.N, Betzel, C.
Deposit date:2019-04-16
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of genuine co-factors.
Nat Commun, 11, 2020
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
8C5B
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BU of 8c5b by Molmil
Crystal Structure of Penicillin-binding Protein 3 (PBP3) from Staphylococcus Epidermidis
Descriptor: Penicillin-binding protein 3
Authors:Schwinzer, M, Brognaro, H, Rohde, H, Betzel, C.
Deposit date:2023-01-06
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.5 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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