A unique iron-sulfur cluster is crucial for oxygen tolerance of a [NiFe]-hydrogenase T Goris, AF Wait, M Saggu, J Fritsch, N Heidary, M Stein, I Zebger, ... Nature chemical biology 7 (5), 310-318, 2011 | 307 | 2011 |
Single Crystal EPR Studies of the Reduced Active Site of [NiFe] Hydrogenase from Desulfovibrio vulgaris Miyazaki F S Foerster, M Stein, M Brecht, H Ogata, Y Higuchi, W Lubitz Journal of the American Chemical Society 125 (1), 83-93, 2003 | 240 | 2003 |
Ligand versus metal protonation of an iron hydrogenase active site mimic G Eilers, L Schwartz, M Stein, G Zampella, L de Gioia, S Ott, R Lomoth Chemistry–A European Journal 13 (25), 7075-7084, 2007 | 164 | 2007 |
Catalytic hydrogen evolution from mononuclear iron (II) carbonyl complexes as minimal functional models of the [FeFe] hydrogenase active site S Kaur‐Ghumaan, L Schwartz, R Lomoth, M Stein, S Ott Angewandte Chemie International Edition 49 (43), 8033-8036, 2010 | 160 | 2010 |
A model of the [FeFe] hydrogenase active site with a biologically relevant azadithiolate bridge: a spectroscopic and theoretical investigation ÖF Erdem, L Schwartz, M Stein, A Silakov, S Kaur‐Ghumaan, P Huang, ... Angewandte Chemie International Edition 6 (50), 1439-1443, 2011 | 158 | 2011 |
A single-crystal ENDOR and density functional theory study of the oxidized states of the [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F M van Gastel, M Stein, M Brecht, O Schröder, F Lendzian, R Bittl, H Ogata, ... JBIC Journal of Biological Inorganic Chemistry 11, 41-51, 2006 | 144 | 2006 |
Relativistic DFT calculations of the paramagnetic intermediates of [NiFe] hydrogenase. Implications for the enzymatic mechanism M Stein, E van Lenthe, EJ Baerends, W Lubitz Journal of the American Chemical Society 123 (24), 5839-5840, 2001 | 136 | 2001 |
Quantum chemical calculations of [NiFe] hydrogenase M Stein, W Lubitz Current opinion in chemical biology 6 (2), 243-249, 2002 | 111 | 2002 |
webPIPSA: a web server for the comparison of protein interaction properties S Richter, A Wenzel, M Stein, RR Gabdoulline, RC Wade Nucleic acids research 36 (suppl_2), W276-W280, 2008 | 110 | 2008 |
Relativistic DFT calculation of the reaction cycle intermediates of [NiFe] hydrogenase: a contribution to understanding the enzymatic mechanism M Stein, W Lubitz Journal of inorganic biochemistry 98 (5), 862-877, 2004 | 101 | 2004 |
[NiFe] hydrogenases: how close do structural and functional mimics approach the active site? S Kaur-Ghumaan, M Stein Dalton Transactions 43 (25), 9392-9405, 2014 | 96 | 2014 |
Novel enantioselective receptors for N‐protected glutamate and aspartate A Ragusa, S Rossi, JM Hayes, M Stein, JD Kilburn Chemistry–A European Journal 11 (19), 5674-5688, 2005 | 88 | 2005 |
DFT calculations of the electronic structure of the paramagnetic states Ni-A, Ni-B and Ni-C of [NiFe] hydrogenase M Stein, W Lubitz Physical Chemistry Chemical Physics 3 (13), 2668-2675, 2001 | 87 | 2001 |
Single crystal EPR studies of the oxidized active site of [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F O Trofanchuk, M Stein, C Geßner, F Lendzian, Y Higuchi, W Lubitz JBIC Journal of Biological Inorganic Chemistry 5, 36-44, 2000 | 86 | 2000 |
A theoretical study of spin states in Ni-S4 complexes and models of the [NiFe] hydrogenase active site M Bruschi, L De Gioia, G Zampella, M Reiher, P Fantucci, M Stein JBIC Journal of Biological Inorganic Chemistry 9, 873-884, 2004 | 81 | 2004 |
G-and A-Tensor Calculations in the Zero-Order Approximation for Relativistic Effects of Ni Complexes and Ni (CO) 3H as Model Complexes for the Active Center of [NiFe]-Hydrogenase M Stein, E van Lenthe, EJ Baerends, W Lubitz The Journal of Physical Chemistry A 105 (2), 416-425, 2001 | 79 | 2001 |
The electronic structure of the catalytic intermediate Ni-C in [NiFe] and [NiFeSe] hydrogenases M Stein, W Lubitz Physical Chemistry Chemical Physics 3 (23), 5115-5120, 2001 | 78 | 2001 |
Mixed-valence nickel–iron dithiolate models of the [NiFe]-hydrogenase active site D Schilter, MJ Nilges, M Chakrabarti, PA Lindahl, TB Rauchfuss, M Stein Inorganic Chemistry 51 (4), 2338-2348, 2012 | 77 | 2012 |
Are the crystal structures of enantiopure and racemic mandelic acids determined by kinetics or thermodynamics? RK Hylton, GJ Tizzard, TL Threlfall, AL Ellis, SJ Coles, CC Seaton, ... Journal of the American Chemical Society 137 (34), 11095-11104, 2015 | 72 | 2015 |
(I, 0) mixed-valence state of a diiron complex with pertinence to the [FeFe]-hydrogenase active site: An IR, EPR, and computational study PS Singh, HC Rudbeck, P Huang, S Ezzaher, L Eriksson, M Stein, S Ott, ... Inorganic chemistry 48 (23), 10883-10885, 2009 | 72 | 2009 |