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2WIE
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HIGH-RESOLUTION STRUCTURE OF THE ROTOR RING FROM A PROTON DEPENDENT ATP SYNTHASE
Descriptor:ATP SYNTHASE C CHAIN, CYMAL-4
Authors:Pogoryelov, D., Yildiz, O., Faraldo-Gomez, J.D., Meier, T.
Deposit date:2009-05-11
Release date:2009-09-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:High-Resolution Structure of the Rotor Ring of a Proton-Dependent ATP Synthase.
Nat.Struct.Mol.Biol., 16, 2009
2XQS
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MICROSCOPIC ROTARY MECHANISM OF ION TRANSLOCATION IN THE FO COMPLEX OF ATP SYNTHASES
Descriptor:ATP SYNTHASE C CHAIN, CYMAL-4
Authors:Pogoryelov, D., Krah, A., Langer, J., Yildiz, O., Faraldo-Gomez, J.D., Meier, T.
Deposit date:2010-09-07
Release date:2010-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Microscopic Rotary Mechanism of Ion Translocation in the Fo Complex of ATP Synthases
Nat.Chem.Biol., 6, 2010
2XQT
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MICROSCOPIC ROTARY MECHANISM OF ION TRANSLOCATION IN THE FO COMPLEX OF ATP SYNTHASES
Descriptor:ATP SYNTHASE C CHAIN, DICYCLOHEXYLUREA, CYMAL-4
Authors:Pogoryelov, D., Krah, A., Langer, J., Yildiz, O., Faraldo-Gomez, J.D., Meier, T.
Deposit date:2010-09-07
Release date:2010-10-27
Last modified:2011-11-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Microscopic Rotary Mechanism of Ion Translocation in the Fo Complex of ATP Synthases
Nat.Chem.Biol., 6, 2010
2XQU
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MICROSCOPIC ROTARY MECHANISM OF ION TRANSLOCATION IN THE FO COMPLEX OF ATP SYNTHASES
Descriptor:ATP SYNTHASE C CHAIN, CYMAL-4
Authors:Pogoryelov, D., Krah, A., Langer, J., Yildiz, O., Faraldo-Gomez, J.D., Meier, T.
Deposit date:2010-09-07
Release date:2010-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Microscopic Rotary Mechanism of Ion Translocation in the Fo Complex of ATP Synthases
Nat.Chem.Biol., 6, 2010
5FWQ
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APO STRUCTURE OF HUMAN LEUKOTRIENE A4 HYDROLASE
Descriptor:HUMAN LEUKOTRIENE A4 HYDROLASE, ACETATE ION, ZINC ION, ...
Authors:Wittmann, S.K., Kalinowsky, L., Kramer, J., Bloecher, R., Steinhilber, D., Pogoryelov, D., Proschak, E., Heering, J.
Deposit date:2016-02-19
Release date:2016-10-05
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:Thermodynamic properties of leukotriene A4hydrolase inhibitors.
Bioorg.Med.Chem., 24, 2016
5O7N
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BETA-LACTAMASE VIM-2 IN COMPLEX WITH (2R)-1-(2-BENZYL-3-MERCAPTOPROPANOYL)PIPERIDINE-2-CARBOXYLIC ACID
Descriptor:Beta-lactamase VIM-2, ZINC ION, (2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid, ...
Authors:Buettner, D., Kramer, J.S., Pogoryelov, D., Proschak, E.
Deposit date:2017-06-09
Release date:2018-06-20
Last modified:2019-07-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Challenges in the Development of a Thiol-Based Broad-Spectrum Inhibitor for Metallo-beta-Lactamases.
Acs Infect Dis., 4, 2018
5A5Z
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APPROVED DRUGS CONTAINING THIOLS AS INHIBITORS OF METALLO-BETA- LACTAMASES: STRATEGY TO COMBAT MULTIDRUG-RESISTANT BACTERIA
Descriptor:BETA-LACTAMASE NDM-1, ZINC ION, TIOPRONIN
Authors:Klingler, F.M., Wichelhaus, T.A., Frank, D., Cuesta-Bernal, J., El-Delik, J., Mueller, H.F., Sjuts, H., Goettig, S., Koenigs, A., Pogoryelov, D., Proschak, E.
Deposit date:2015-06-23
Release date:2015-07-08
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Approved Drugs Containing Thiols as Inhibitors of Metallo-beta-lactamases: Strategy To Combat Multidrug-Resistant Bacteria.
J. Med. Chem., 58, 2015
5AEN
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STRUCTURE OF HUMAN LEUKOTRIENE A4 HYDROLASE IN COMPLEX WITH INHIBITOR DIMETHYL(2- (4-PHENOXYPHENOXY)ETHYL)AMINE
Descriptor:LEUKOTRIENE A-4 HYDROLASE, N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine, ZINC ION, ...
Authors:Moser, D., Wittmann, S.K., Kramer, J., Blocher, R., Achenbach, J., Pogoryelov, D., Proschak, E.
Deposit date:2015-01-06
Release date:2015-02-11
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (1.864 Å)
Cite:Peng: A Neural Gas-Based Approach for Pharmacophore Elucidation. Method Design, Validation and Virtual Screening for Novel Ligands of Lta4H.
J.Chem.Inf.Model., 55, 2015
5MWA
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HUMAN SEH PHOSPHATASE IN COMPLEX WITH 3-4-3,4-DICHLOROPHENYL-5-PHENYL-1,3-OXAZOL-2-YL-BENZOIC-ACID
Descriptor:Bifunctional epoxide hydrolase 2, MAGNESIUM ION, 3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid
Authors:Kramer, J.S., Pogoryelov, D., Sorrell, F.J., Fox, N., Chaikuad, A., Knapp, S., Proschak, E.
Deposit date:2017-01-18
Release date:2018-02-28
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of first in vivo active inhibitors of soluble epoxide hydrolase (sEH) phosphatase domain.
J.Med.Chem., 2019
6FR2
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SOLUBLE EPOXIDE HYDROLASE IN COMPLEX WITH LK864
Descriptor:Bifunctional epoxide hydrolase 2, 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, MAGNESIUM ION
Authors:Kramer, J.S., Pogoryelov, D., Krasavin, M., Proschak, E.
Deposit date:2018-02-15
Release date:2018-09-12
Method:X-RAY DIFFRACTION (2.262 Å)
Cite:Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase.
Bioorg. Chem., 80, 2018
6HGV
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SOLUBLE EPOXIDE HYDROLASE IN COMPLEX WITH TALINOLOL
Descriptor:Bifunctional epoxide hydrolase 2, MAGNESIUM ION, R-Talinolol
Authors:Kramer, J.S., Pogoryelov, D., Hiesinger, K., Proschak, E.
Deposit date:2018-08-23
Release date:2019-07-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Computer-Aided Selective Optimization of Side Activities of Talinolol.
Acs Med.Chem.Lett., 10, 2019
6HGX
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SOLUBLE EPOXIDE HYDROLASE IN COMPLEX WITH 1-(4-((4-(TERT-BUTYL)MORPHOLIN-2-YL)METHOXY)PHENYL)-3-CYCLOHEXYLUREA
Descriptor:Bifunctional epoxide hydrolase 2, MAGNESIUM ION, 1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea
Authors:Kramer, J.S., Pogoryelov, D., Hiesinger, K., Proschak, E.
Deposit date:2018-08-23
Release date:2019-07-03
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Computer-Aided Selective Optimization of Side Activities of Talinolol.
Acs Med.Chem.Lett., 10, 2019
5AP8
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STRUCTURE OF THE SAM-DEPENDENT RRNA:ACP-TRANSFERASE TSR3 FROM S. SOLFATARICUS
Descriptor:TSR3
Authors:Wurm, J.P., Immer, C., Pogoryelov, D., Meyer, B., Koetter, P., Entian, K.-D., Woehnert, J.
Deposit date:2015-09-14
Release date:2016-04-27
Last modified:2016-06-01
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Ribosome Biogenesis Factor Tsr3 is the Aminocarboxypropyl Transferase Responsible for 18S Rrna Hypermodification in Yeast and Humans
Nucleic Acids Res., 44, 2016
5APG
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STRUCTURE OF THE SAM-DEPENDENT RRNA:ACP-TRANSFERASE TSR3 FROM VULCANISAETA DISTRIBUTA
Descriptor:TSR3, [(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-methyl-selanium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Wurm, J.P., Immer, C., Pogoryelov, D., Meyer, B., Koetter, P., Entian, K.-D., Woehnert, J.
Deposit date:2015-09-15
Release date:2016-04-27
Last modified:2016-06-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Ribosome Biogenesis Factor Tsr3 is the Aminocarboxypropyl Transferase Responsible for 18S Rrna Hypermodification in Yeast and Humans
Nucleic Acids Res., 44, 2016
2WGM
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COMPLETE ION-COORDINATION STRUCTURE IN THE ROTOR RING OF NA-DEPENDENT F-ATP SYNTHASE
Descriptor:ATP SYNTHASE SUBUNIT C, SODIUM ION SPECIFIC, SODIUM ION, ...
Authors:Meier, T., Pogoryelov, D., Diederichs, K.
Deposit date:2009-04-21
Release date:2009-06-09
Last modified:2013-05-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Complete Ion-Coordination Structure in the Rotor Ring of Na(+)-Dependent F-ATP Synthases.
J.Mol.Biol., 391, 2009
6HGW
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SOLUBLE EPOXIDE HYDROLASE IN COMPLEX WITH 2-(4-FLUOROPHENYL)-N-(4-PHENOXYBENZYL)ETHANAMINE
Descriptor:Bifunctional epoxide hydrolase 2, 2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine
Authors:Kramer, J.S., Pogoryelov, D., Hiesinger, K., Proschak, E.
Deposit date:2018-08-23
Release date:2019-08-07
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:Soluble epoxide hydrolase in complex with 2-(4-fluorophenyl)-N-(4-phenoxybenzyl)ethanamine
To Be Published
6HTJ
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CRYSTAL STRUCTURE OF THE TRANSLATION RECOVERY FACTOR TRF FROM SULFOLOBUS SOLFATARICUS
Descriptor:Nucleic-acid-binding protein containing a Zn-ribbon, ZINC ION
Authors:Woehnert, J., Pogoryelov, D., Kaiser, M.
Deposit date:2018-10-04
Release date:2019-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the translation recovery factor Trf from Sulfolobus solfataricus
To Be Published
5NBK
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NDM-1 METALLO-BETA-LACTAMASE: A PARSIMONIOUS INTERPRETATION OF THE DIFFRACTION DATA
Descriptor:Metallo-beta-lactamase type 2, ZINC ION, TETRAETHYLENE GLYCOL, ...
Authors:Raczynska, J.E., Shabalin, I.G., Jaskolski, M., Minor, W., Wlodawer, A.
Deposit date:2017-03-02
Release date:2018-10-03
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018