PDB_ID PUBMED_CID STRUCTURE TITLE DEPOSITION DATE RELEASE DATE AUTHORS CITATION TITLE JOURNAL YEAR VOLUME FIRST PAGE LAST PAGE 5NLW 28994409 Structure of Nb36 crystal form 2 2017-04-05 2017-05-31 Hansen, S.B.,Laursen, N.S.,Andersen, G.R.,Andersen, K.R. Introducing site-specific cysteines into nanobodies for mercury labelling allows de novo phasing of their crystal structures. Acta Crystallogr D Struct Biol 2017 73 804 813 6FAZ 29775064 Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the positive allosteric modulator TDPAM01 at 1.4 A resolution. 2017-12-18 2018-11-21 Drapier, T.,Geubelle, P.,Bouckaert, C.,Nielsen, L.,Laulumaa, S.,Goffin, E.,Dilly, S.,Francotte, P.,Hanson, J.,Pochet, L.,Kastrup, J.S.,Pirotte, B. Enhancing Action of Positive Allosteric Modulators through the Design of Dimeric Compounds. J. Med. 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Acs Med.Chem.Lett. 2019 10 243 247 6HCB 30891120 STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM01 AT 1.9 A RESOLUTION. 2018-08-14 2019-04-03 Laulumaa, S.,Hansen, K.V.,Masternak, M.,Drapier, T.,Francotte, P.,Pirotte, B.,Frydenvang, K.,Kastrup, J.S. Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor. Acs Med.Chem.Lett. 2019 10 243 247 6HCC 30891120 STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM02 AT 1.6 A RESOLUTION. 2018-08-14 2019-04-03 Laulumaa, S.,Hansen, K.V.,Masternak, M.,Drapier, T.,Francotte, P.,Pirotte, B.,Frydenvang, K.,Kastrup, J.S. Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor. Acs Med.Chem.Lett. 2019 10 243 247 6HCH 30891120 STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-L504Y-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM01 AT 1.6 A RESOLUTION. 2018-08-15 2019-04-03 Laulumaa, S.,Hansen, K.V.,Masternak, M.,Drapier, T.,Francotte, P.,Pirotte, B.,Frydenvang, K.,Kastrup, J.S. Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor. Acs Med.Chem.Lett. 2019 10 243 247 6Q54 30943028 Structure of GluA2 ligand-binding domain (S1S2J) in complex with the agonist (S)-2-Amino-3-(1-ethyl-4-hydroxy-1H-1,2,3-triazol-5-yl)propanoic acid at 1.4 A resolution 2018-12-07 2019-04-17 Sainas, S.,Temperini, P.,Farnsworth, J.C.,Yi, F.,Mollerud, S.,Jensen, A.A.,Nielsen, B.,Passoni, A.,Kastrup, J.S.,Hansen, K.B.,Boschi, D.,Pickering, D.S.,Clausen, R.P.,Lolli, M.L. Use of the 4-Hydroxytriazole Moiety as a Bioisosteric Tool in the Development of Ionotropic Glutamate Receptor Ligands. J.Med.Chem. 2019 62 4467 4482 6Q60 30943028 Structure of GluA2 ligand-binding domain (S1S2J) in complex with the agonist (S)-2-Amino-3-(2-methyl-5-hydroxy-2H-1,2,3-triazol-4-yl)propanoic acid at 1.55 A resolution 2018-12-10 2019-04-17 Sainas, S.,Temperini, P.,Farnsworth, J.C.,Yi, F.,Mollerud, S.,Jensen, A.A.,Nielsen, B.,Passoni, A.,Kastrup, J.S.,Hansen, K.B.,Boschi, D.,Pickering, D.S.,Clausen, R.P.,Lolli, M.L. Use of the 4-Hydroxytriazole Moiety as a Bioisosteric Tool in the Development of Ionotropic Glutamate Receptor Ligands. J.Med.Chem. 2019 62 4467 4482 6QLS 31246331 Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 6 2019-02-01 2019-07-10 Kumar, R.,Ignjatovic, M.M.,Peterson, K.,Olsson, M.,Leffler, H.,Ryde, U.,Nilsson, U.J.,Logan, D.T. Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions. 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Acta Crystallogr D Struct Biol 2019 75 895 903 6RQU 31588921 X-ray crystal structure of H/D exchanged (H/D) small monoclinic unit cell CA IX SV. 2019-05-16 2019-10-16 Koruza, K.,Lafumat, B.,Nyblom, M.,Mahon, B.P.,Knecht, W.,McKenna, R.,Fisher, S.Z. Structural comparison of protiated, H/D-exchanged and deuterated human carbonic anhydrase IX. Acta Crystallogr D Struct Biol 2019 75 895 903 6IBH 31932718 Copper binding protein from Laetisaria arvalis (LaX325) 2018-11-30 2019-11-13 Labourel, A.,Frandsen, K.E.H.,Zhang, F.,Brouilly, N.,Grisel, S.,Haon, M.,Ciano, L.,Ropartz, D.,Fanuel, M.,Martin, F.,Navarro, D.,Rosso, M.N.,Tandrup, T.,Bissaro, B.,Johansen, K.S.,Zerva, A.,Walton, P.H.,Henrissat, B.,Leggio, L.L.,Berrin, J.G. A fungal family of lytic polysaccharide monooxygenase-like copper proteins. 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Structural and biochemical studies of the glucuronoyl esteraseOtCE15A illuminate its interaction with lignocellulosic components. J.Biol.Chem. 2019 294 19978 19987 6HZN Crystal structure of human dermatan sulfate epimerase 1 2018-10-23 2020-01-22 Hasan, M.,Khakzad, H.,Happonen, L.,Sundin, A.,Unge, J.,Mueller, U.,Malmstrom, J.,Westergren-Thorsson, G.,Malmstrom, L.,Ellervik, U.,Malmstrom, A.,Tykesson, E. The structure of human dermatan sulfate epimerase 1 emphasizes the importance of C5-epimerization of glucuronic acid in higher organisms Chem Sci 2020 0 0 0 6QN2 31740053 Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide 2019-02-08 2020-02-26 Zaksauskas, A.,Capkauskaite, E.,Jezepcikas, L.,Linkuviene, V.,Paketuryte, V.,Smirnov, A.,Leitans, J.,Kazaks, A.,Dvinskis, E.,Manakova, E.,Grazulis, S.,Tars, K.,Matulis, D. Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. 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The Catalytic Acid-Base in GH109 Resides in a Conserved GGHGG Loop and Allows for Comparable alpha-Retaining and beta-Inverting Activity in an N-Acetylgalactosaminidase from Akkermansia muciniphila Acs Catalysis 2020 0 0 0 6RU2 32094331 Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor 2019-05-27 2020-03-18 Ernst, H.A.,Mosbech, C.,Langkilde, A.E.,Westh, P.,Meyer, A.S.,Agger, J.W.,Larsen, S. The structural basis of fungal glucuronoyl esterase activity on natural substrates. Nat Commun 2020 11 1026 1026 6Y7R Structure of Chloroflexus aggregans Cagg_3753 LOV domain C85A A56P variant (CagFbFP) 2020-03-02 2020-04-22 Remeeva, A.,Nazarenko, V.V.,Goncharov, I.M.,Yudenko, A.,Smolentseva, A.,Semenov, O.,Kovalev, K.,Gulbahar, C.,Schwaneberg, U.,Davari, M.D.,Gordeliy, V.,Gushchin, I. Effects of Proline Substitutions on the Thermostable LOV Domain from Chloroflexus aggregans Crystals 2020 0 0 0 6Y7U Structure of Chloroflexus aggregans Cagg_3753 LOV domain C85A A95P variant (CagFbFP) 2020-03-02 2020-04-22 Remeeva, A.,Nazarenko, V.V.,Goncharov, I.M.,Yudenko, A.,Smolentseva, A.,Semenov, O.,Kovalev, K.,Gulbahar, C.,Schwaneberg, U.,Davari, M.D.,Gordeliy, V.,Gushchin, I. Effects of Proline Substitutions on the Thermostable LOV Domain from Chloroflexus aggregans Crystals 2020 0 0 0 6TPT 32355037 Crystal structures of FNIII domain three and four of the human leucocyte common antigen-related protein, LAR 2019-12-14 2020-05-13 Vilstrup, J.,Simonsen, A.,Birkefeldt, T.,Strandbygard, D.,Lyngso, J.,Pedersen, J.S.,Thirup, S. Crystal and solution structures of fragments of the human leucocyte common antigen-related protein. Acta Crystallogr D Struct Biol 2020 76 406 417 5R1T 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry A07, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R1U 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry B03, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R1V 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry C04, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R1W 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry C11, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R1X 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry D04, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R1Y 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry D10, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R1Z 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry D11, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R20 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry E06, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R21 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry E07, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R22 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry E11, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R23 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry F03, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R24 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry F04, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R25 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry F08, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R26 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry G02, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R27 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry G03, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R28 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry G08, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R29 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry G09, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2A 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry H02, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2B 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry H03, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2C 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry H05, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2D 32413289 PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry H11, DMSO-free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2E 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 01, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2F 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 02, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2G 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 03, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2H 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 04, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2I 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 05, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2J 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 06, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2K 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 07, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2L 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 09, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2M 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 10, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2N 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 11, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2O 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 12, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2P 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 13, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2Q 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 14, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2R 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 15, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2S 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 16, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2T 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 17, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2U 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 18, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2V 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 19, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2W 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 20, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2X 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 21, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2Y 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 22, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R2Z 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 23, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R30 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 24, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R31 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 25, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R32 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 26, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R33 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 27, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R34 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 28, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R35 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 29, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R36 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 30, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R37 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 31, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R38 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 32, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R39 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 33, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3A 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 34, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3B 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 35, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3C 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 36, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3D 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 37, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3E 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 38, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3F 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 39, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3G 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 40, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3H 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 41, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3I 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 42, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3J 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 43, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3K 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 44, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3L 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 45, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3M 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 46, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3N 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 47, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3O 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 48, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3P 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 49, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3Q 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 50, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3R 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 51, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3S 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 52, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3T 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 53, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3U 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 54, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3V 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 55, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3W 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 56, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3X 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 57, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3Y 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 58, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R3Z 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 59, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R40 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 60, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R41 32413289 PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 61, DMSO-Free 2020-02-13 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RBO 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library A07a 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RBP 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library B03a 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RBQ 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library B06b 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RBR 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library C04a 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RBS 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library C08a 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RBT 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library C11b 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RBU 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D01a 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RBV 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D04a 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RBW 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D06b 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RBX 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D10a 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RBY 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D11b 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RBZ 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library E05a 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RC0 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library E06a 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RC1 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library E07a 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RC2 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library E11b 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RC3 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F03a 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RC4 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F04a 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RC5 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F06b 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RC6 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F08b 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RC7 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F11a 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RC8 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library G02a 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RC9 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library G03b 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCA 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library G08b 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCB 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library G09a 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCC 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library H02b 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCD 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library H03a 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCE 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library H05a 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCF 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library H10b 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCG 32413289 PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library H11a 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCH 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 02 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCI 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 03 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCJ 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 04 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCK 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 05 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCL 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 06 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCM 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 07 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCN 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 08 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCO 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 09 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCP 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 10 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCQ 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 11 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCR 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 13 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCS 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 14 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCT 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 15 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCU 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 16 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCV 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 17 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCW 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 18 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCX 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 19 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCY 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 20 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RCZ 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 21 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RD0 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 22 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RD1 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 23 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RD2 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 24 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RD3 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 25 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RD4 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 26 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RD5 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 27 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RD6 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 28 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RD7 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 29 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RD8 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 30 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RD9 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 31 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDA 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 32 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDB 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 33 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDC 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 34 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDD 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 35 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDE 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 36 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDF 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 37 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDG 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 38 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDH 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 39 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDI 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 40 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDJ 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 43 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDK 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 44 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDL 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 45 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDM 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 46 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDN 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 47 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDO 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 01 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDP 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 41 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDQ 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 42 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDR 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 48 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDS 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 49 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDT 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 50 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDU 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 51 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDV 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 52 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDW 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 53 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDX 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 54 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDY 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 55 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RDZ 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 56 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RE0 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 57 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RE1 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 58 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RE2 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 59 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5RE3 32413289 PanDDA analysis group deposition -- Endothiapepsin ground state model 12 2020-03-24 2020-06-03 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QY1 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry A07a 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QY2 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry A12b 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QY3 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry B03a 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QY4 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry B08a 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QY5 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C02a 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QY6 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C05a 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QY7 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C08a 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QY8 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C10a 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QY9 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C11b 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYA 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry D02a 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYB 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry D06a 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYC 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry D07a 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYD 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry E05a 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYE 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry E12a 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYF 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry F02a 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYG 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry F08a 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYH 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry G04a 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYI 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry G12a 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYJ 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry H11a 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYK 32413289 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry H12a 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYL 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 01 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYM 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 02 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYN 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 03 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYO 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 04 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYP 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 05 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYQ 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 06 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYR 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 07 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYS 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 08 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYT 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 09 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYU 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 10 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYV 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 11 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYW 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 12 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYX 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 13 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYY 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 14 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QYZ 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 15 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZ0 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 16 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZ1 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 17 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZ2 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 17 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZ3 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 18 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZ4 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 19 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZ5 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 20 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZ6 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 21 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZ7 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 22 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZ8 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 23 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZ9 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 24 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZA 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 25 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZB 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 26 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZC 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 27 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZD 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 28 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZE 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 29 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZF 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 30 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZG 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 31 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZH 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 32 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZI 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 33 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZJ 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 34 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZK 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 35 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZL 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 36 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZM 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 37 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZN 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 38 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZO 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 39 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZP 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 40 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZQ 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 41 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZR 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 42 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZS 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 43 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZT 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 44 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZU 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 45 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZV 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 46 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZW 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 47 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZX 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 48 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZY 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 49 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5QZZ 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 50 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R00 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 51 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R01 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 52 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R02 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 53 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R03 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 54 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R04 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 55 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R05 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 56 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R06 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 57 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 5R07 32413289 PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 58 2020-02-12 2020-06-10 Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure 2020 28 694 0 6Y4C 32876583 Structure of galectin-3C in complex with lactose determined by serial crystallography using an XtalTool support 2020-02-20 2020-06-17 Shilova, A.,Lebrette, H.,Aurelius, O.,Nan, J.,Welin, M.,Kovacic, R.,Ghosh, S.,Safari, C.,Friel, R.J.,Milas, M.,Matej, Z.,Hogbom, M.,Branden, G.,Kloos, M.,Shoeman, R.L.,Doak, B.,Ursby, T.,Hakansson, M.,Logan, D.T.,Mueller, U. Current status and future opportunities for serial crystallography at MAX IV Laboratory. J.Synchrotron Radiat. 2020 27 1095 1102 6ZCT 33036230 Nonstructural protein 10 (nsp10) from SARS CoV-2 2020-06-12 2020-06-24 Rogstam, A.,Nyblom, M.,Christensen, S.,Sele, C.,Talibov, V.O.,Lindvall, T.,Rasmussen, A.A.,Andre, I.,Fisher, Z.,Knecht, W.,Kozielski, F. Crystal Structure of Non-Structural Protein 10 from Severe Acute Respiratory Syndrome Coronavirus-2. Int J Mol Sci 2020 21 0 0 6RZI Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:1(Hydrogen) 2019-06-13 2020-07-08 Verteramo, M.L.,Zetterberg, F.,Kumar, R.,Wallerstein, J.,Ignjatovic, M.M.,Leffler, H.,Ryde, U.,Logan, D.T.,Akke, M.,Nilsson, U.J. Thermodynamic studies of halogen-bond interactions in galectin-3 to be published 0 0 0 0 6RZJ Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:2(Fluorine) 2019-06-13 2020-07-08 Verteramo, M.L.,Zetterberg, F.,Kumar, R.,Wallerstein, J.,Ignjatovic, M.M.,Leffler, H.,Ryde, U.,Logan, D.T.,Akke, M.,Nilsson, U.J. Thermodynamic studies of halogen-bond interactions in galectin-3 to be published 0 0 0 0 6RZK Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:3(Chlorine) 2019-06-13 2020-07-08 Verteramo, M.L.,Zetterberg, F.,Kumar, R.,Wallerstein, J.,Ignjatovic, M.M.,Leffler, H.,Ryde, U.,Logan, D.T.,Akke, M.,Nilsson, U.J. Thermodynamic studies of halogen-bond interactions in galectin-3 to be published 0 0 0 0 6RZL Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:4(Bromine) 2019-06-13 2020-07-08 Verteramo, M.L.,Zetterberg, F.,Kumar, R.,Wallerstein, J.,Ignjatovic, M.M.,Leffler, H.,Ryde, U.,Logan, D.T.,Akke, M.,Nilsson, U.J. Thermodynamic studies of halogen-bond interactions in galectin-3 to be published 0 0 0 0 6RZM Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:5(Iodine) 2019-06-13 2020-07-08 Verteramo, M.L.,Zetterberg, F.,Kumar, R.,Wallerstein, J.,Ignjatovic, M.M.,Leffler, H.,Ryde, U.,Logan, D.T.,Akke, M.,Nilsson, U.J. 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Sci Adv 2020 6 0 0 6YFQ 32917600 Virus-like particle of bacteriophage NT-214 2020-03-26 2020-09-02 Rumnieks, J.,Lieknina, I.,Kalnins, G.,Sisovs, M.,Akopjana, I.,Bogans, J.,Tars, K. Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes. Sci Adv 2020 6 0 0 6YFU 32917600 Virus-like particle of Wenzhou levi-like virus 4 2020-03-26 2020-09-02 Rumnieks, J.,Lieknina, I.,Kalnins, G.,Sisovs, M.,Akopjana, I.,Bogans, J.,Tars, K. Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes. 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Acta Crystallogr D Struct Biol 2021 77 799 808 5ROO 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo73 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5ROP 34076593 PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A12a at Room Temperature 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5ROQ 34076593 PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A12a 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5ROR 34076593 PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen F1a 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5ROS 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo34 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5ROT 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo1 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5ROU 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo72 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5ROV 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo62 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5ROW 34076593 PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen F6a 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5ROX 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo24 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5ROY 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo22 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5ROZ 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo41 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RP0 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo57 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RP1 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo36 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RP2 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo20 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RP3 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo14 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RP4 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo70 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RP5 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo48 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RP6 34076593 PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C2a 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RP7 34076593 PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen D12a 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RP8 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo46 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RP9 34076593 PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen B7a 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPA 34076593 PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen E3a 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPB 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo68 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPC 34076593 PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen H3a 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPD 34076593 PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen F12a 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPE 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo40 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPF 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo27 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPG 34076593 PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen H2a 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPH 34076593 PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A11a 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPI 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo26 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPJ 34076593 PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen B12a 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPK 34076593 PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen B9a 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPL 34076593 PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C8a 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPM 34076593 PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen H5a 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPN 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo64 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPO 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo7 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPP 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo44 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPQ 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo32 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPR 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo15 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPS 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo60 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPT 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo9 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPU 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo67 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPV 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo35 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPW 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo63 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPX 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo43 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPY 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo10 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 5RPZ 34076593 PanDDA analysis group deposition -- Proteinase K crystal structure Apo58 2020-09-23 2021-05-26 Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol 2021 77 799 808 7AOP 34192523 Structure of NUDT15 in complex with inhibitor TH8321 2020-10-14 2021-06-02 Zhang, S.M.,Rehling, D.,Jemth, A.S.,Throup, A.,Landazuri, N.,Almlof, I.,Gottmann, M.,Valerie, N.C.K.,Borhade, S.R.,Wakchaure, P.,Page, B.D.G.,Desroses, M.,Homan, E.J.,Scobie, M.,Rudd, S.G.,Berglund, U.W.,Soderberg-Naucler, C.,Stenmark, P.,Helleday, T. NUDT15-mediated hydrolysis limits the efficacy of anti-HCMV drug ganciclovir. Cell Chem Biol 2021 28 1693 0 7NWN 34180241 A carbohydrate binding module family 9 (CBM9) from Caldicellulsiruptor kristjanssonii 2021-03-17 2021-07-07 Krska, D.,Mazurkewich, S.,Brown, H.A.,Theibich, Y.,Poulsen, J.N.,Morris, A.L.,Koropatkin, N.M.,Lo Leggio, L.,Larsbrink, J. Structural and Functional Analysis of a Multimodular Hyperthermostable Xylanase-Glucuronoyl Esterase from Caldicellulosiruptor kristjansonii . Biochemistry 2021 60 2206 2220 7NWN 34180241 A carbohydrate binding module family 9 (CBM9) from Caldicellulsiruptor kristjanssonii 2021-03-17 2021-07-07 Krska, D.,Mazurkewich, S.,Brown, H.A.,Theibich, Y.,Poulsen, J.N.,Morris, A.L.,Koropatkin, N.M.,Lo Leggio, L.,Larsbrink, J. Structural and Functional Analysis of a Multimodular Hyperthermostable Xylanase-Glucuronoyl Esterase from Caldicellulosiruptor kristjansonii . Biochemistry 2021 60 2206 2220 7ABX 34258011 Perdeuterated E65Q-TIM complexed with 2-PHOSPHOGLYCOLIC ACID 2020-09-09 2021-07-28 Kelpsas, V.,Caldararu, O.,Blakeley, M.P.,Coquelle, N.,Wierenga, R.K.,Ryde, U.,von Wachenfeldt, C.,Oksanen, E. Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps. Iucrj 2021 8 633 643 7NTL 34342275 AA9 lytic polysaccharide monooxygenase (LPMO) from Malbranchea cinnamomea 2021-03-10 2021-08-11 Mazurkewich, S.,Seveso, A.,Huttner, S.,Branden, G.,Larsbrink, J. Structure of a C1/C4-oxidizing AA9 lytic polysaccharide monooxygenase from the thermophilic fungus Malbranchea cinnamomea. Acta Crystallogr D Struct Biol 2021 77 1019 1026 7AYV 34342273 X-ray crystallographic structure of (6-4)photolyase from Drosophila melanogaster at cryogenic temperature 2020-11-13 2021-08-18 Cellini, A.,Yuan Wahlgren, W.,Henry, L.,Pandey, S.,Ghosh, S.,Castillon, L.,Claesson, E.,Takala, H.,Kubel, J.,Nimmrich, A.,Kuznetsova, V.,Nango, E.,Iwata, S.,Owada, S.,Stojkovic, E.A.,Schmidt, M.,Ihalainen, J.A.,Westenhoff, S. The three-dimensional structure of Drosophila melanogaster (6-4) photolyase at room temperature. Acta Crystallogr D Struct Biol 2021 77 1001 1009 7AI2 34584737 Crystal structure of Se-Met labelled MCE domain of Mce4A from Mycobacterium tuberculosis H37Rv 2020-09-25 2021-08-25 Asthana, P.,Singh, D.,Pedersen, J.S.,Hynonen, M.J.,Sulu, R.,Murthy, A.V.,Laitaoja, M.,Janis, J.,Riley, L.W.,Venkatesan, R. Structural insights into the substrate-binding proteins Mce1A and Mce4A from Mycobacterium tuberculosis . Iucrj 2021 8 757 774 7AI3 34584737 Crystal structure of MCE domain of Mce4A from Mycobacterium tuberculosis H37Rv 2020-09-25 2021-08-25 Asthana, P.,Singh, D.,Pedersen, J.S.,Hynonen, M.J.,Sulu, R.,Murthy, A.V.,Laitaoja, M.,Janis, J.,Riley, L.W.,Venkatesan, R. Structural insights into the substrate-binding proteins Mce1A and Mce4A from Mycobacterium tuberculosis . 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Acta Crystallogr D Struct Biol 2021 77 1579 1590 7AB4 Crystal structure of the Escherichia coli toxin-antitoxin system HipBST (HipT S59A) 2020-09-06 2022-01-12 Baerentsen, R.L.,Nielsen, S.V.,Lyngso, J.,Bisiak, F.,Pedersen, J.S.,Gerdes, K.,Sorensen, M.A.,Brodersen, D.E. Structural basis for regulation of a tripartite toxin-antitoxin system by dual phosphorylation Biorxiv 2022 0 0 0 7AB5 Crystal structure of the Escherichia coli toxin-antitoxin system HipBST (HipT D233Q) 2020-09-06 2022-01-12 Baerentsen, R.L.,Nielsen, S.V.,Lyngso, J.,Bisiak, F.,Pedersen, J.S.,Gerdes, K.,Sorensen, M.A.,Brodersen, D.E. Structural basis for regulation of a tripartite toxin-antitoxin system by dual phosphorylation Biorxiv 2022 0 0 0 7B7H 35304453 The glucuronoyl esterase OtCE15A R268A variant from Opitutus terrae in complex with, and covalently linked to, D-glucuronate 2020-12-10 2022-01-12 Zong, Z.,Mazurkewich, S.,Pereira, C.S.,Fu, H.,Cai, W.,Shao, X.,Skaf, M.S.,Larsbrink, J.,Lo Leggio, L. Mechanism and biomass association of glucuronoyl esterase: an alpha / beta hydrolase with potential in biomass conversion. Nat Commun 2022 13 1449 1449 7B7H 35304453 The glucuronoyl esterase OtCE15A R268A variant from Opitutus terrae in complex with, and covalently linked to, D-glucuronate 2020-12-10 2022-01-12 Zong, Z.,Mazurkewich, S.,Pereira, C.S.,Fu, H.,Cai, W.,Shao, X.,Skaf, M.S.,Larsbrink, J.,Lo Leggio, L. Mechanism and biomass association of glucuronoyl esterase: an alpha / beta hydrolase with potential in biomass conversion. Nat Commun 2022 13 1449 1449 7BBN Crystal structure of an ancient sequence-reconstructed Elongation Factor Tu (node 317) 2020-12-18 2022-01-19 Majumdar, S.,Bergfors, T.,Sanyal, S. Crystal structure of an ancient sequence-reconstructed Elongation factor Tu (node 317) To be published 0 0 0 0 7PXQ 35503213 GH115 alpha-1,2-glucuronidase D303A 2021-10-08 2022-01-19 Wilkens, C.,Vuillemin, M.,Pilgaard, B.,Polikarpov, I.,Morth, J.P. A GH115 alpha-glucuronidase structure reveals dimerization-mediated substrate binding and a proton wire potentially important for catalysis. Acta Crystallogr D Struct Biol 2022 78 658 668 7AU4 35142215 Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 3 2020-11-02 2022-02-23 Luttens, A.,Gullberg, H.,Abdurakhmanov, E.,Vo, D.D.,Akaberi, D.,Talibov, V.O.,Nekhotiaeva, N.,Vangeel, L.,De Jonghe, S.,Jochmans, D.,Krambrich, J.,Tas, A.,Lundgren, B.,Gravenfors, Y.,Craig, A.J.,Atilaw, Y.,Sandstrom, A.,Moodie, L.W.K.,Lundkvist, A.,van Hemert, M.J.,Neyts, J.,Lennerstrand, J.,Kihlberg, J.,Sandberg, K.,Danielson, U.H.,Carlsson, J. Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc. 2022 144 2905 2920 7B2J 35142215 Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 5 2020-11-27 2022-02-23 Luttens, A.,Gullberg, H.,Abdurakhmanov, E.,Vo, D.D.,Akaberi, D.,Talibov, V.O.,Nekhotiaeva, N.,Vangeel, L.,De Jonghe, S.,Jochmans, D.,Krambrich, J.,Tas, A.,Lundgren, B.,Gravenfors, Y.,Craig, A.J.,Atilaw, Y.,Sandstrom, A.,Moodie, L.W.K.,Lundkvist, A.,van Hemert, M.J.,Neyts, J.,Lennerstrand, J.,Kihlberg, J.,Sandberg, K.,Danielson, U.H.,Carlsson, J. Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc. 2022 144 2905 2920 7B2U 35142215 Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 1 2020-11-27 2022-02-23 Luttens, A.,Gullberg, H.,Abdurakhmanov, E.,Vo, D.D.,Akaberi, D.,Talibov, V.O.,Nekhotiaeva, N.,Vangeel, L.,De Jonghe, S.,Jochmans, D.,Krambrich, J.,Tas, A.,Lundgren, B.,Gravenfors, Y.,Craig, A.J.,Atilaw, Y.,Sandstrom, A.,Moodie, L.W.K.,Lundkvist, A.,van Hemert, M.J.,Neyts, J.,Lennerstrand, J.,Kihlberg, J.,Sandberg, K.,Danielson, U.H.,Carlsson, J. Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc. 2022 144 2905 2920 7B5Z 35142215 Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 6 2020-12-07 2022-02-23 Luttens, A.,Gullberg, H.,Abdurakhmanov, E.,Vo, D.D.,Akaberi, D.,Talibov, V.O.,Nekhotiaeva, N.,Vangeel, L.,De Jonghe, S.,Jochmans, D.,Krambrich, J.,Tas, A.,Lundgren, B.,Gravenfors, Y.,Craig, A.J.,Atilaw, Y.,Sandstrom, A.,Moodie, L.W.K.,Lundkvist, A.,van Hemert, M.J.,Neyts, J.,Lennerstrand, J.,Kihlberg, J.,Sandberg, K.,Danielson, U.H.,Carlsson, J. Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc. 2022 144 2905 2920 7B77 35142215 Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 8 2020-12-09 2022-02-23 Luttens, A.,Gullberg, H.,Abdurakhmanov, E.,Vo, D.D.,Akaberi, D.,Talibov, V.O.,Nekhotiaeva, N.,Vangeel, L.,De Jonghe, S.,Jochmans, D.,Krambrich, J.,Tas, A.,Lundgren, B.,Gravenfors, Y.,Craig, A.J.,Atilaw, Y.,Sandstrom, A.,Moodie, L.W.K.,Lundkvist, A.,van Hemert, M.J.,Neyts, J.,Lennerstrand, J.,Kihlberg, J.,Sandberg, K.,Danielson, U.H.,Carlsson, J. Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc. 2022 144 2905 2920 7BIJ 35142215 Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 13 2021-01-12 2022-02-23 Luttens, A.,Gullberg, H.,Abdurakhmanov, E.,Vo, D.D.,Akaberi, D.,Talibov, V.O.,Nekhotiaeva, N.,Vangeel, L.,De Jonghe, S.,Jochmans, D.,Krambrich, J.,Tas, A.,Lundgren, B.,Gravenfors, Y.,Craig, A.J.,Atilaw, Y.,Sandstrom, A.,Moodie, L.W.K.,Lundkvist, A.,van Hemert, M.J.,Neyts, J.,Lennerstrand, J.,Kihlberg, J.,Sandberg, K.,Danielson, U.H.,Carlsson, J. Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc. 2022 144 2905 2920 7NBT 35142215 Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 21 2021-01-27 2022-02-23 Luttens, A.,Gullberg, H.,Abdurakhmanov, E.,Vo, D.D.,Akaberi, D.,Talibov, V.O.,Nekhotiaeva, N.,Vangeel, L.,De Jonghe, S.,Jochmans, D.,Krambrich, J.,Tas, A.,Lundgren, B.,Gravenfors, Y.,Craig, A.J.,Atilaw, Y.,Sandstrom, A.,Moodie, L.W.K.,Lundkvist, A.,van Hemert, M.J.,Neyts, J.,Lennerstrand, J.,Kihlberg, J.,Sandberg, K.,Danielson, U.H.,Carlsson, J. Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc. 2022 144 2905 2920 7NEO 35142215 Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 15 2021-02-04 2022-02-23 Luttens, A.,Gullberg, H.,Abdurakhmanov, E.,Vo, D.D.,Akaberi, D.,Talibov, V.O.,Nekhotiaeva, N.,Vangeel, L.,De Jonghe, S.,Jochmans, D.,Krambrich, J.,Tas, A.,Lundgren, B.,Gravenfors, Y.,Craig, A.J.,Atilaw, Y.,Sandstrom, A.,Moodie, L.W.K.,Lundkvist, A.,van Hemert, M.J.,Neyts, J.,Lennerstrand, J.,Kihlberg, J.,Sandberg, K.,Danielson, U.H.,Carlsson, J. Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc. 2022 144 2905 2920 7O46 35142215 Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 17 2021-04-05 2022-02-23 Luttens, A.,Gullberg, H.,Abdurakhmanov, E.,Vo, D.D.,Akaberi, D.,Talibov, V.O.,Nekhotiaeva, N.,Vangeel, L.,De Jonghe, S.,Jochmans, D.,Krambrich, J.,Tas, A.,Lundgren, B.,Gravenfors, Y.,Craig, A.J.,Atilaw, Y.,Sandstrom, A.,Moodie, L.W.K.,Lundkvist, A.,van Hemert, M.J.,Neyts, J.,Lennerstrand, J.,Kihlberg, J.,Sandberg, K.,Danielson, U.H.,Carlsson, J. Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc. 2022 144 2905 2920 7OLY 35005539 Structure of activin A in complex with an ActRIIB-Alk4 fusion reveal insight into activin receptor interactions 2021-05-20 2022-02-23 Goebel, E.J.,Kattamuri, C.,Gipson, G.R.,Krishnan, L.,Chavez, M.,Czepnik, M.,Maguire, M.C.,Grenha, R.,Hakansson, M.,Logan, D.T.,Grinberg, A.V.,Sako, D.,Castonguay, R.,Kumar, R.,Thompson, T.B. Structures of activin ligand traps using natural sets of type I and type II TGF beta receptors. Iscience 2022 25 103590 103590 7QBB 35142215 Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 18 2021-11-18 2022-02-23 Luttens, A.,Gullberg, H.,Abdurakhmanov, E.,Vo, D.D.,Akaberi, D.,Talibov, V.O.,Nekhotiaeva, N.,Vangeel, L.,De Jonghe, S.,Jochmans, D.,Krambrich, J.,Tas, A.,Lundgren, B.,Gravenfors, Y.,Craig, A.J.,Atilaw, Y.,Sandstrom, A.,Moodie, L.W.K.,Lundkvist, A.,van Hemert, M.J.,Neyts, J.,Lennerstrand, J.,Kihlberg, J.,Sandberg, K.,Danielson, U.H.,Carlsson, J. Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc. 2022 144 2905 2920 7BN3 Crystal structure of C-terminal domain of PABPC1 in complex with Nucleoprotein from Human Coronavirus 229E 2021-01-21 2022-03-02 Mihalic, F.,Simonetti, L.,Giudice, G.,Sander, M.R.,Lindqvist, R.,Peters, M.B.A.,Benz, C.,Kassa, E.,Badgujar, D.,Inturi, R.,Ali, M.,Krystkowiak, I.,Sayadi, A.,Andersson, E.,Aronsson, H.,Soderberg, O.,Dobritzsch, D.,Petsalaki, E.,Overby, A.K.,Jemth, P.,Davey, N.E.,Ivarsson, Y. Large-scale phage-based screening reveals extensive pan-viral mimicry of host short linear motifs Nat Commun 2023 14 0 0 7NCZ Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with hexa-mannuronic acid 2021-01-29 2022-03-02 Fredslund, F.,Welner, D.H.,Wilkens, C. Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with hexa-mannuronic acid To Be Published 0 0 0 0 7NDE 38087900 Trichoderma parareesei PL7A beta-glucuronan lyase 2021-02-01 2022-03-02 Vuillemin, M.,Pilgaard, B.,Kiehn, E.,Fredslund, F.,Welner, D.H.,Meyer, A.S.,Aachmann, F.L.,Wilkens, C. Glucuronan lyases from family PL7 use a Tyr/Tyr syn beta-elimination catalytic mechanism for glucuronan breakdown. Chem.Commun.(Camb.) 2024 60 440 443 7NL3 Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F 2021-02-22 2022-03-02 Fredslund, F.,Welner, D.H.,Wilkens, C. Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F To Be Published 0 0 0 0 7NM6 Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with di-mannuronic acid 2021-02-23 2022-03-02 Fredslund, F.,Welner, D.H.,Wilkens, C. Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with di-mannuronic acid To Be Published 0 0 0 0 7NYT 35997626 Trichoderma reesei Cel7A E212Q mutant in complex with lactose. 2021-03-23 2022-03-09 Haataja, T.,Gado, J.E.,Nutt, A.,Anderson, N.T.,Nilsson, M.,Momeni, M.H.,Isaksson, R.,Valjamae, P.,Johansson, G.,Payne, C.M.,Stahlberg, J. Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation. Febs J. 2023 290 379 399 7OC8 35997626 Trichoderma reesei Cel7A E212Q mutant in complex with pNPL 2021-04-26 2022-03-09 Haataja, T.,Gado, J.E.,Nutt, A.,Anderson, N.T.,Nilsson, M.,Momeni, M.H.,Isaksson, R.,Valjamae, P.,Johansson, G.,Payne, C.M.,Stahlberg, J. Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation. 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Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with tri-mannuronic acid To Be Published 0 0 0 0 7Q1Y 35641520 X-ray structure of human A2ML1 2021-10-22 2022-04-20 Nielsen, N.S.,Zarantonello, A.,Harwood, S.L.,Jensen, K.T.,Kjoge, K.,Thogersen, I.B.,Schauser, L.,Karlsen, J.L.,Andersen, G.R.,Enghild, J.J. Cryo-EM structures of human A2ML1 elucidate the protease-inhibitory mechanism of the A2M family. Nat Commun 2022 13 3033 3033 7P2D 35738398 Structure of alphaMbeta2/Cd11bCD18 headpiece in complex with a nanobody 2021-07-05 2022-05-04 Jensen, R.K.,Pedersen, H.,Lorentzen, J.,Laursen, N.S.,Vorup-Jensen, T.,Andersen, G.R. Structural insights into the function-modulating effects of nanobody binding to the integrin receptor alpha M beta 2. J.Biol.Chem. 2022 298 102168 102168 7PWR 35500474 PARP15 catalytic domain in complex with OUL254 2021-10-07 2022-05-11 Nizi, M.G.,Maksimainen, M.M.,Murthy, S.,Massari, S.,Alaviuhkola, J.,Lippok, B.E.,Sowa, S.T.,Galera-Prat, A.,Prunskaite-Hyyrylainen, R.,Luscher, B.,Korn, P.,Lehtio, L.,Tabarrini, O. Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem. 2022 237 114362 114362 7PWS 35500474 PARP15 catalytic domain in complex with OUL255 2021-10-07 2022-05-11 Nizi, M.G.,Maksimainen, M.M.,Murthy, S.,Massari, S.,Alaviuhkola, J.,Lippok, B.E.,Sowa, S.T.,Galera-Prat, A.,Prunskaite-Hyyrylainen, R.,Luscher, B.,Korn, P.,Lehtio, L.,Tabarrini, O. Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem. 2022 237 114362 114362 7PWU 35500474 PARP15 catalytic domain in complex with OUL256 2021-10-07 2022-05-11 Nizi, M.G.,Maksimainen, M.M.,Murthy, S.,Massari, S.,Alaviuhkola, J.,Lippok, B.E.,Sowa, S.T.,Galera-Prat, A.,Prunskaite-Hyyrylainen, R.,Luscher, B.,Korn, P.,Lehtio, L.,Tabarrini, O. Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem. 2022 237 114362 114362 7Q6C 35551129 complement C6 FIM1-2 bound to CP010 antibody 2021-11-06 2022-05-25 Gytz Olesen, H.,Michailidou, I.,Zelek, W.M.,Vreijling, J.,Ruizendaal, P.,de Klein, F.,Marquart, J.A.,Kuipers, T.B.,Mei, H.,Zhang, Y.,Ahasan, M.,Johnson, K.K.,Wang, Y.,Morgan, B.P.,van Dijk, M.,Fluiter, K.,Andersen, G.R.,Baas, F. Development, Characterization, and in vivo Validation of a Humanized C6 Monoclonal Antibody that Inhibits the Membrane Attack Complex. J Innate Immun 2022 0 1 21 7OKR 35941540 Catalytic domain from the Aliivibrio salmonicida lytic polysaccharide monooxygenase AsLPMO10B 2021-05-18 2022-06-01 Skane, A.,Edvardsen, P.K.,Cordara, G.,Loose, J.S.M.,Leitl, K.D.,Krengel, U.,Sorum, H.,Askarian, F.,Vaaje-Kolstad, G. Chitinolytic enzymes contribute to the pathogenicity of Aliivibrio salmonicida LFI1238 in the invasive phase of cold-water vibriosis. Bmc Microbiol. 2022 22 194 194 7OOF Crystal structure of Paradendryphiella salina PL7A alginate lyase in complex with tri-mannuronic acid 2021-05-27 2022-06-08 Fredslund, F.,Welner, D.H.,Wilkens, C. Crystal structure of Paradendryphiella salina PL7A alginate lyase in complex with tri-mannuronic acid To Be Published 0 0 0 0 7OOM 35398358 N-terminal domain of FlSp spidroin from Nephila clavipes 2021-05-28 2022-06-08 Sarr, M.,Kitoka, K.,Walsh-White, K.A.,Kaldmae, M.,Metlans, R.,Tars, K.,Mantese, A.,Shah, D.,Landreh, M.,Rising, A.,Johansson, J.,Jaudzems, K.,Kronqvist, N. The dimerization mechanism of the N-terminal domain of spider silk proteins is conserved despite extensive sequence divergence. J.Biol.Chem. 2022 298 101913 101913 7ORY Crystal structure of Paradendryphiella salina PL7A alginate lyase in complex with penta-mannuronic acid products 2021-06-06 2022-06-22 Fredslund, F.,Welner, D.H.,Wilkens, C. Crystal structure of Paradendryphiella salina PL7A alginate lyase in complex with penta-mannuronic acid products To Be Published 0 0 0 0 7OS7 Circular permutant of ribosomal protein S6, swap helix 2, L75A, A92K mutant 2021-06-08 2022-06-22 Wang, H.,Logan, D.T.,Oliveberg, M. Circular permutant of ribosomal protein S6, swap helix 2, L75A, A92K mutant To Be Published 0 0 0 0 7O76 35672293 Reversible supramolecular assembly of the anti-microbial peptide plectasin 2021-04-13 2022-06-29 Pohl, C.,Effantin, G.,Kandiah, E.,Meier, S.,Zeng, G.,Streicher, W.,Segura, D.R.,Mygind, P.H.,Sandvang, D.,Nielsen, L.A.,Peters, G.H.J.,Schoehn, G.,Mueller-Dieckmann, C.,Noergaard, A.,Harris, P. pH- and concentration-dependent supramolecular assembly of a fungal defensin plectasin variant into helical non-amyloid fibrils. Nat Commun 2022 13 3162 3162 7BFC Circular permutant of ribosomal protein S6, P54-55 truncated, 2021-01-02 2022-07-13 Wang, H.,Logan, D.T.,Oliveberg, M. Circular permutant of ribosomal protein S6 To Be Published 0 0 0 0 7BFD Circular permutant of ribosomal protein S6, P54-55 truncated, Y4A mutant. 2021-01-02 2022-07-13 Wang, H.,Logan, D.T.,Oliveberg, M. Circular permutant of ribosomal protein S6 To Be Published 0 0 0 0 7OY1 36874276 DnrK mutant RTCR 2021-06-23 2022-07-13 Dinis, P.,Tirkkonen, H.,Wandi, B.N.,Siitonen, V.,Niemi, J.,Grocholski, T.,Metsa-Ketela, M. Evolution-inspired engineering of anthracycline methyltransferases. Pnas Nexus 2023 2 0 0 7P25 Crystal structure of Paradendryphiella salina PL7A alginate lyase in complex with hexa-mannuronic acid products 2021-07-03 2022-07-13 Fredslund, F.,Welner, D.H.,Wilkens, C. Crystal structure of Paradendryphiella salina PL7A alginate lyase in complex with hexa-mannuronic acid products To Be Published 0 0 0 0 7ZER 35819080 Crystal structure of UGT85B1 from Sorghum bicolor in complex with UDP 2022-03-31 2022-07-13 Del Giudice, R.,Putkaradze, N.,Dos Santos, B.M.,Hansen, C.C.,Crocoll, C.,Motawia, M.S.,Fredslund, F.,Laursen, T.,Welner, D.H. Structure-guided engineering of key amino acids in UGT85B1 controlling substrate and stereo-specificity in aromatic cyanogenic glucoside biosynthesis. Plant J. 2022 111 1539 1549 7ZF0 35819080 Crystal structure of UGT85B1 from Sorghum bicolor in complex with UDP and p-hydroxymandelonitrile 2022-03-31 2022-07-13 Del Giudice, R.,Putkaradze, N.,Dos Santos, B.M.,Hansen, C.C.,Crocoll, C.,Motawia, M.S.,Fredslund, F.,Laursen, T.,Welner, D.H. Structure-guided engineering of key amino acids in UGT85B1 controlling substrate and stereo-specificity in aromatic cyanogenic glucoside biosynthesis. Plant J. 2022 111 1539 1549 7P3U 34798071 Chitin-active fungal AA11 LPMO 2021-07-08 2022-07-20 Stopamo, F.G.,Rohr, A.K.,Mekasha, S.,Petrovic, D.M.,Varnai, A.,Eijsink, V.G.H. Characterization of a lytic polysaccharide monooxygenase from Aspergillus fumigatus shows functional variation among family AA11 fungal LPMOs. J.Biol.Chem. 2021 297 101421 101421 7ZA4 35806486 GSTF sh155 mutant 2022-03-22 2022-07-20 Ioannou, E.,Papageorgiou, A.C.,Labrou, N.E. Directed Evolution of Phi Class Glutathione Transferases Involved in Multiple-Herbicide Resistance of Grass Weeds and Crops. Int J Mol Sci 2022 23 0 0 6ZRB Crystal structure of SMYD3 conjugate with piperidine-based covalent inhibitor EM127 2020-07-13 2022-07-27 Parenti, M.D.,Naldi, M.,Manoni, E.,Fabini, E.,Cederfelt, D.,Talibov, V.O.,Gressani, V.,Guven, U.,Grossi, V.,Fasano, C.,Sanese, P.,De Marco, K.,Shtil, A.A.,Kurkin, A.V.,Altieri, A.,Danielson, U.H.,Caretti, G.,Simone, C.,Varchi, G.,Bartolini, M.,Del Rio, A. Discovery of the 4-aminopiperidine-based compound EM127 for the site-specific covalent inhibition of SMYD3 Eur.J.Med.Chem. 2022 0 114683 0 7NOZ 36173177 Structure of the nanobody stablized properdin bound alternative pathway proconvertase C3b:FB:FP 2021-02-26 2022-07-27 Lorentzen, J.,Pedersen, D.V.,Gadeberg, T.A.F.,Andersen, G.R. Structure determination of an unstable macromolecular complex enabled by nanobody-peptide bridging. Protein Sci. 2022 31 0 0 7R3X 35822874 The crystal structure of the L439V variant of Pol2CORE in complex with DNA and an incoming nucleotide 2022-02-08 2022-07-27 Barbari, S.R.,Beach, A.K.,Markgren, J.G.,Parkash, V.,Moore, E.A.,Johansson, E.,Shcherbakova, P.V. Enhanced polymerase activity permits efficient synthesis by cancer-associated DNA polymerase ε variants at low dNTP levels. Nucleic Acids Res. 2022 50 8023 8040 7P90 Crystal structure of Paradendryphiella salina PL7A alginate lyase in complex with tetra-mannuronic acid products 2021-07-23 2022-08-03 Fredslund, F.,Welner, D.H.,Wilkens, C. Crystal structure of Paradendryphiella salina PL7A alginate lyase in complex with tetra-mannuronic acid products To Be Published 0 0 0 0 7PBF Crystal structure of Paradendryphiella salina PL7A alginate lyase in complex with di-mannuronic acid 2021-08-02 2022-08-10 Fredslund, F.,Welner, D.H.,Wilkens, C. Crystal structure of Paradendryphiella salina PL7A alginate lyase in complex with di-mannuronic acid To Be Published 0 0 0 0 7PFL The SARS-CoV2 major protease (Mpro) apo structure to 1.8 A resolution 2021-08-11 2022-08-24 Moche, M.,Moodie, L.,Strandback, E.,Nyman, T.,Akaberi, D.,Lennerstrand, J. The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution To Be Published 0 0 0 0 7PFM A SARS-CoV2 major protease non-covalent ligand structure determined to 2.0 A resolution 2021-08-11 2022-08-24 Moche, M.,Moodie, L.,Strandback, E.,Nyman, T.,Akaberi, D.,Lennerstrand, J. The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution To Be Published 0 0 0 0 7PQR 36071795 LsAA9A expressed in E. coli 2021-09-20 2022-08-24 Tandrup, T.,Muderspach, S.J.,Banerjee, S.,Santoni, G.,Ipsen, J.O.,Hernandez-Rollan, C.,Norholm, M.H.H.,Johansen, K.S.,Meilleur, F.,Lo Leggio, L. Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding. Iucrj 2022 9 666 681 7PXS 36071795 Room temperature X-ray structure of LPMO at 1.91x10^3 Gy 2021-10-08 2022-08-24 Tandrup, T.,Muderspach, S.J.,Banerjee, S.,Santoni, G.,Ipsen, J.O.,Hernandez-Rollan, C.,Norholm, M.H.H.,Johansen, K.S.,Meilleur, F.,Lo Leggio, L. Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding. Iucrj 2022 9 666 681 7PXW 36071795 LPMO, expressed in E.coli, in complex with Cellotetraose 2021-10-08 2022-08-24 Tandrup, T.,Muderspach, S.J.,Banerjee, S.,Santoni, G.,Ipsen, J.O.,Hernandez-Rollan, C.,Norholm, M.H.H.,Johansen, K.S.,Meilleur, F.,Lo Leggio, L. Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding. Iucrj 2022 9 666 681 7PHE 36874276 Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB and 10-decarboxylase TamK 2021-08-17 2022-09-07 Dinis, P.,Tirkkonen, H.,Wandi, B.N.,Siitonen, V.,Niemi, J.,Grocholski, T.,Metsa-Ketela, M. Evolution-inspired engineering of anthracycline methyltransferases. Pnas Nexus 2023 2 0 0 7PHF 36874276 Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB and 10-decarboxylase TamK 2021-08-17 2022-09-07 Dinis, P.,Tirkkonen, H.,Wandi, B.N.,Siitonen, V.,Niemi, J.,Grocholski, T.,Metsa-Ketela, M. Evolution-inspired engineering of anthracycline methyltransferases. Pnas Nexus 2023 2 0 0 7Z1U 36009334 Biochemical implications of the substitution of a unique cysteine residue in sugar beet phytoglobin BvPgb 1.2 2022-02-25 2022-09-07 Christensen, S.,Groth, L.,Leiva-Eriksson, N.,Nyblom, M.,Bulow, L. Oxidative Implications of Substituting a Conserved Cysteine Residue in Sugar Beet Phytoglobin BvPgb 1.2. Antioxidants 2022 11 0 0 7ZOS 36009334 Class 1 Phytoglobin from Sugar beet (BvPgb1.2) 2022-04-26 2022-09-07 Christensen, S.,Groth, L.,Leiva-Eriksson, N.,Nyblom, M.,Bulow, L. Oxidative Implications of Substituting a Conserved Cysteine Residue in Sugar Beet Phytoglobin BvPgb 1.2. Antioxidants 2022 11 0 0 7OWH 36332013 Odinarchaeota Adenylate kinase (OdinAK) native structure 2021-06-18 2022-09-28 Verma, A.,Aberg-Zingmark, E.,Sparrman, T.,Mushtaq, A.U.,Rogne, P.,Grundstrom, C.,Berntsson, R.,Sauer, U.H.,Backman, L.,Nam, K.,Sauer-Eriksson, E.,Wolf-Watz, M. Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv 2022 8 0 0 7OWJ 36332013 Odinarchaeota Adenylate kinase (OdinAK) in complex with GTP 2021-06-18 2022-09-28 Verma, A.,Aberg-Zingmark, E.,Sparrman, T.,Mushtaq, A.U.,Rogne, P.,Grundstrom, C.,Berntsson, R.,Sauer, U.H.,Backman, L.,Nam, K.,Sauer-Eriksson, E.,Wolf-Watz, M. Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv 2022 8 0 0 7OWK 36332013 Odinarchaeota Adenylate kinase (OdinAK) in complex with dTTP 2021-06-18 2022-09-28 Verma, A.,Aberg-Zingmark, E.,Sparrman, T.,Mushtaq, A.U.,Rogne, P.,Grundstrom, C.,Berntsson, R.,Sauer, U.H.,Backman, L.,Nam, K.,Sauer-Eriksson, E.,Wolf-Watz, M. Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv 2022 8 0 0 7OWL 36332013 Odinarchaeota Adenylate kinase (OdinAK) in complex with CTP 2021-06-18 2022-09-28 Verma, A.,Aberg-Zingmark, E.,Sparrman, T.,Mushtaq, A.U.,Rogne, P.,Grundstrom, C.,Berntsson, R.,Sauer, U.H.,Backman, L.,Nam, K.,Sauer-Eriksson, E.,Wolf-Watz, M. Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv 2022 8 0 0 5ST0 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02B04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5ST1 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02C03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5ST2 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02C06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5ST3 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02C09 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5ST4 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02D05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5ST5 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02D06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5ST6 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02D07 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5ST7 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02E03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5ST8 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02E09 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5ST9 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02F01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STA 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02F03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STB 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02F05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STC 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02F09 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STE 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02F11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STF 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02H02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STG 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02H08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STH 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02H09 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STI 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02H11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STJ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02H11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STK 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02H12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STL 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03A02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STM 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03A03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STN 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03A11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STO 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03A12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STP 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03B02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STQ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03B03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STR 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03B04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STS 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03B11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STT 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03C03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STU 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03C07 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STV 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03C11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STW 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03C12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STX 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03D01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STY 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03D02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5STZ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03D04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5SU0 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03D07 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5SU1 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03D08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5SU2 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03D10 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5SU3 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03D12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5SU4 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03E02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5SU5 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03E05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5SU6 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03E08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5SU7 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03E12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5SU8 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03F01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5SU9 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03F06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5SUA 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03F12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5SUB 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03G01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5SUC 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03G02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5SUD 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03G05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5SUE 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03G10 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5SUF 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03H03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 5SUG 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03H05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FJU 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03H10 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FJV 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03H10 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FJW 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03H12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FJX 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FJY 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FJZ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FK0 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FK1 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FK2 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A07 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FK3 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A09 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FK4 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FK5 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04A12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FK6 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04B02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FK7 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04B04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FK8 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04B07 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FK9 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04B12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKA 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04C04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKB 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04C07 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKC 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04C10 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKD 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04C11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKE 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04C12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKF 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04D04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKG 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04D05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKH 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04D06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKI 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04D08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKJ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04D11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKK 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04D12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKL 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKM 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKN 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKO 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E07 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKP 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKQ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E09 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKR 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04E11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKS 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04F01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKT 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04F02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKU 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04F03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKV 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04F08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKW 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04F09 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKX 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04G02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKY 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04G05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FKZ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04G08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FL0 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04G11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FL1 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04H03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FL2 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04H05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FL3 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04H06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FL4 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04H06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FL5 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04H07 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FL6 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04H10 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FL7 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05A01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FL8 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05A03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FL9 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05A08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLA 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05A09 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLB 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05A10 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLC 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05B08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLD 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05B11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLE 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05C05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLF 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05C06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLG 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05D01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLH 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05D03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLI 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05D09 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLJ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05E05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLK 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05E08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLL 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05E12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLM 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05F01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLN 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05F09 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLO 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05F11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLP 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05F11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLQ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05F12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLR 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLS 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLT 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLU 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLV 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLW 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G07 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLX 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLY 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G10 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FLZ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05G11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FM0 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05H01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FM1 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05H02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FM2 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05H04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FM3 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05H09 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FM4 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06A01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FM5 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06A02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FM6 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06A03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FM7 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06A04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FM8 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06A09 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FM9 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06B02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMA 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06B04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMB 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06B06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMC 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06B07 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMD 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06B12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FME 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06C01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMF 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06C06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMG 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06C09 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMH 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06C10 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMI 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06C11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMJ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06C12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMK 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06D03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FML 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06D04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMM 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06D09 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMN 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06D11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMO 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06D12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMP 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06E01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMQ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06E04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMR 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06E05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMS 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06E05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMT 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06E09 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMU 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06E11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMV 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06E12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMW 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06F06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMX 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06F06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMY 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06F07 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FMZ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06F08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FN0 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06G05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FN1 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06G06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FN2 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06G08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FN3 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06G09 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FN4 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06G11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FN5 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06H04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FN6 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06H06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FN7 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06H08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FN8 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07A01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FN9 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07A05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNA 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07A11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNB 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07A12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNC 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07B01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FND 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07B06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNE 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07B07 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNF 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07B10 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNG 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07B12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNH 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07C05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNI 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07C09 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNJ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07C10 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNK 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07C12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNL 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07D01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNM 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07D05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNN 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07D07 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNO 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07D12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNP 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07E01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNQ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07E01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNR 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07E02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNS 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07E03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNT 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07E12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNU 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07F03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNV 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07F04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNW 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07F07 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNX 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07F08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNY 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07F10 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FNZ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07F12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FO0 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07G02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FO1 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07G03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FO2 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07G04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FO3 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07G06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FO4 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07G08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FO5 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07G11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FO6 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07H04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FO7 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07H05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FO8 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07H06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FO9 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07H07 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOA 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07H07 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOB 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07H11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOC 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08A01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOD 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08A07 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOE 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08A08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOF 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08A10 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOG 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08B02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOH 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08B05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOI 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08B06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOJ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08B08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOK 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08B09 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOL 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOM 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FON 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOO 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOP 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOQ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C10 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOR 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOS 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08D01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOT 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08D03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOU 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08E01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOV 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08E03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOW 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08E04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOX 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08E08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOY 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08E10 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FOZ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08F01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FP0 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08F02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FP1 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08F04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FP2 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08F10 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FP3 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08F11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FP4 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08G02 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FP5 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08G04 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FP6 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08G05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FP7 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08G09 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FP8 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08H12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FP9 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09A12 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FPA 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09C01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FPB 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09C03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FPC 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09D07 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FPD 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09E01 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FPE 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09E03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FPF 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09E08 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FPG 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09F06 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FPH 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09G03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FPI 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P10C11 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FPJ 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P10D05 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7FPK 36260741 PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P10E03 from the F2X-Universal Library 2022-08-26 2022-11-02 Barthel, T.,Wollenhaupt, J.,Lima, G.M.A.,Wahl, M.C.,Weiss, M.S. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem. 2022 65 14630 14641 7OFF 36263945 Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction 2021-05-04 2022-11-02 Narayanan, D.,Tran, K.T.,Pallesen, J.S.,Solbak, S.M.O.,Qin, Y.,Mukminova, E.,Luchini, M.,Vasilyeva, K.O.,Gonzalez Chichon, D.,Goutsiou, G.,Poulsen, C.,Haapanen, N.,Popowicz, G.M.,Sattler, M.,Olagnier, D.,Gajhede, M.,Bach, A. Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem. 2022 65 14481 14526 7PX1 37535677 Conotoxin from Conus mucronatus 2021-10-07 2022-11-02 Hackney, C.M.,Florez Salcedo, P.,Mueller, E.,Koch, T.L.,Kjelgaard, L.D.,Watkins, M.,Zachariassen, L.,Tuelund, P.S.,McArthur, J.R.,Adams, D.J.,Kristensen, A.S.,Olivera, B.,Finol-Urdaneta, R.K.,Safavi-Hemami, H.,Morth, J.P.,Ellgaard, L. A previously unrecognized superfamily of macro-conotoxins includes an inhibitor of the sensory neuron calcium channel Cav2.3. Plos Biol. 2023 21 0 0 7PZ1 36128847 Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH8535 2021-10-11 2022-11-02 Wallner, O.,Cazares-Korner, A.,Scaletti, E.R.,Masuyer, G.,Bekkhus, T.,Visnes, T.,Mamonov, K.,Ortis, F.,Lundback, T.,Volkova, M.,Koolmeister, T.,Wiita, E.,Loseva, O.,Pandey, M.,Homan, E.,Benitez-Buelga, C.,Davies, J.,Scobie, M.,Warpman Berglund, U.,Kalderen, C.,Stenmark, P.,Helleday, T.,Michel, M. Optimization of N-Piperidinyl-Benzimidazolone Derivatives as Potent and Selective Inhibitors of 8-Oxo-Guanine DNA Glycosylase 1. Chemmedchem 2023 18 0 0 7QP8 36194497 Crystal structure of Vibrio alkaline phosphatase with bound HEPES 2022-01-03 2022-11-02 Markusson, S.,Hjorleifsson, J.G.,Kursula, P.,Asgeirsson, B. Structural Characterization of Functionally Important Chloride Binding Sites in the Marine Vibrio Alkaline Phosphatase. Biochemistry 2022 61 2248 2260 7PX2 37535677 Conotoxin Mu8.1 from Conus mucronatus 2021-10-07 2022-11-16 Hackney, C.M.,Florez Salcedo, P.,Mueller, E.,Koch, T.L.,Kjelgaard, L.D.,Watkins, M.,Zachariassen, L.,Tuelund, P.S.,McArthur, J.R.,Adams, D.J.,Kristensen, A.S.,Olivera, B.,Finol-Urdaneta, R.K.,Safavi-Hemami, H.,Morth, J.P.,Ellgaard, L. A previously unrecognized superfamily of macro-conotoxins includes an inhibitor of the sensory neuron calcium channel Cav2.3. Plos Biol. 2023 21 0 0 7Q3J 36452862 Computationally designed thioredoxin subjected to stability optimizing mutations. 2021-10-27 2022-11-16 Norrild, R.K.,Johansson, K.E.,O'Shea, C.,Morth, J.P.,Lindorff-Larsen, K.,Winther, J.R. Increasing protein stability by inferring substitution effects from high-throughput experiments. Cell Rep Methods 2022 2 100333 100333 7Q3K 36452862 Computationally designed thioredoxin subjected to stability optimizing mutations. 2021-10-27 2022-11-16 Norrild, R.K.,Johansson, K.E.,O'Shea, C.,Morth, J.P.,Lindorff-Larsen, K.,Winther, J.R. Increasing protein stability by inferring substitution effects from high-throughput experiments. Cell Rep Methods 2022 2 100333 100333 7Q9L 36780206 Transthyretin complexed with (E)-4-(2-(naphthalen-1-yl)vinyl)benzene-1,2-diol 2021-11-12 2022-11-23 Begum, A.,Zhang, J.,Derbyshire, D.,Wu, X.,Konradsson, P.,Hammarstrom, P.,von Castelmur, E. Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands. Acs Chem Neurosci 2023 14 820 828 7Q9N 36780206 Transthyretin complexed with (E)-4-(2-(naphthalen-2-yl)vinyl)benzene-1,2-diol 2021-11-12 2022-11-23 Begum, A.,Zhang, J.,Derbyshire, D.,Wu, X.,Konradsson, P.,Hammarstrom, P.,von Castelmur, E. Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands. Acs Chem Neurosci 2023 14 820 828 7Q9O 36780206 Complex of Transthyretin with resveratrol exhibits multiple binding modes 2021-11-12 2022-11-23 Begum, A.,Zhang, J.,Derbyshire, D.,Wu, X.,Konradsson, P.,Hammarstrom, P.,von Castelmur, E. Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands. Acs Chem Neurosci 2023 14 820 828 8BBP Crystal structure of feruloyl esterase wtsFae1B 2022-10-14 2022-11-30 Wilkens, C. Crystal structure of feruloyl esterase wtsFae1B To Be Published 0 0 0 0 8BF3 Crystal structure of feruloyl esterase wtsFae1B in complex with xylobiose 2022-10-23 2022-11-30 Wilkens, C. Crystal structure of feruloyl esterase wtsFae1B in complex with xylobiose To Be Published 0 0 0 0 8BGM 36403098 Crystal structure of the OrfX1-OrfX3 complex from the PMP1 neurotoxin gene cluster 2022-10-28 2022-12-07 Kosenina, S.,Stenmark, P. Crystal structure of the OrfX1-OrfX3 complex from the PMP1 neurotoxin gene cluster. Febs Lett. 2023 597 515 523 7QFY Fusarium oxysporum M36 protease without the propeptide 2021-12-07 2022-12-21 Wilkens, C.,Qiu, J.,Meyer, A.S.,Morth, J.P. Fusarium oxysporum M36 protease without the propeptide To Be Published 0 0 0 0 8BBH 36858822 The crystal structure of a mouse Fab fragment TL1 in complex with a human Glucose-6-phosphate isomerase peptide 293-307 2022-10-13 2022-12-21 Li, T.,Ge, C.,Kramer, A.,Sareila, O.,Leu Agelii, M.,Johansson, L.,Forslind, K.,Lonnblom, E.,Yang, M.,Xu, B.,Li, Q.,Cheng, L.,Bergstrom, G.,Fernandez, G.,Kastbom, A.,Rantapaa-Dahlqvist, S.,Gjertsson, I.,Holmdahl, R. Pathogenic antibody response to glucose-6-phosphate isomerase targets a modified epitope uniquely exposed on joint cartilage. Ann Rheum Dis 2023 82 799 808 7QLQ 37261425 CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NAD, AND DIMETHOXYPHENYL ACETAMIDE 2021-12-20 2022-12-28 Sridhar, S.,Zavarise, A.,Kiema, T.R.,Dalwani, S.,Eriksson, T.,Hajee, Y.,Reddy Enugala, T.,Wierenga, R.K.,Widersten, M. Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity. Iucrj 2023 10 437 447 7QLQ 37261425 CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NAD, AND DIMETHOXYPHENYL ACETAMIDE 2021-12-20 2022-12-28 Sridhar, S.,Zavarise, A.,Kiema, T.R.,Dalwani, S.,Eriksson, T.,Hajee, Y.,Reddy Enugala, T.,Wierenga, R.K.,Widersten, M. Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity. Iucrj 2023 10 437 447 7QLS 37261425 CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NADH, AND DIMETHOXYPHENYL ACETAMIDE 2021-12-20 2022-12-28 Sridhar, S.,Zavarise, A.,Kiema, T.R.,Dalwani, S.,Eriksson, T.,Hajee, Y.,Reddy Enugala, T.,Wierenga, R.K.,Widersten, M. Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity. Iucrj 2023 10 437 447 7QLS 37261425 CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NADH, AND DIMETHOXYPHENYL ACETAMIDE 2021-12-20 2022-12-28 Sridhar, S.,Zavarise, A.,Kiema, T.R.,Dalwani, S.,Eriksson, T.,Hajee, Y.,Reddy Enugala, T.,Wierenga, R.K.,Widersten, M. Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity. Iucrj 2023 10 437 447 7Z2R 36128700 Differences between the GluD1 and GluD2 receptors revealed by GluD1 X-ray crystallography, binding studies and molecular dynamics 2022-02-28 2023-01-11 Masternak, M.,Koch, A.,Laulumaa, S.,Tapken, D.,Hollmann, M.,Jorgensen, F.S.,Kastrup, J.S. Differences between the GluD1 and GluD2 receptors revealed by GluD1 X-ray crystallography, binding studies and molecular dynamics. Febs J. 2023 290 3781 3801 7QP3 Pseudogymnoascus pannorum M36 protease without the propeptide 2021-12-30 2023-01-18 Wilkens, C.,Qiu, J.,Meyer, A.S.,Morth, J.P. Phaeosphaeria nodorum M36 protease without the propeptide To Be Published 0 0 0 0 7QU4 37006610 Recombinant Human Fetal Hemoglobin mutant - alpha subunit mutations K11E,K56E,N78D,K90E 2022-01-17 2023-01-25 Kettisen, K.,Nyblom, M.,Smeds, E.,Fago, A.,Bulow, L. Structural and oxidative investigation of a recombinant high-yielding fetal hemoglobin mutant. Front Mol Biosci 2023 10 1133985 1133985 7R4A 36598465 PARP15 catalytic domain in complex with OUL188 2022-02-08 2023-01-25 Murthy, S.,Nizi, M.G.,Maksimainen, M.M.,Massari, S.,Alaviuhkola, J.,Lippok, B.E.,Vagaggini, C.,Sowa, S.T.,Galera-Prat, A.,Ashok, Y.,Venkannagari, H.,Prunskaite-Hyyrylainen, R.,Dreassi, E.,Luscher, B.,Korn, P.,Tabarrini, O.,Lehtio, L. [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes. J.Med.Chem. 2023 66 1301 1320 7QZJ 37005433 1.55 A X-ray crystallographic structure of SapH from Streptomyces sp. (HPH0547) involved in Pseudouridimycin biosynthesis 2022-01-31 2023-02-15 Artukka, E.,Schnell, R.,Palmu, K.,Rosenqvist, P.,Szodorai, E.,Niemi, J.,Virta, P.,Schneider, G.,Metsa-Ketela, M. Pseudouridine-Modifying Enzymes SapB and SapH Control Entry into the Pseudouridimycin Biosynthetic Pathway. Acs Chem.Biol. 2023 18 794 802 8AWI 36780206 Crystal structure of Human Transthyretin at 1.15 Angstrom resolution 2022-08-29 2023-03-01 Begum, A.,Zhang, J.,Derbyshire, D.,Wu, X.,Konradsson, P.,Hammarstrom, P.,von Castelmur, E. Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands. Acs Chem Neurosci 2023 14 820 828 8AXI 37005422 Sialidases and Fucosidases of Akkermansia muciniphila are key for rapid growth on colonic mucin and nutrient sharing amongst mucin-associated human gut microbiota 2022-08-31 2023-03-01 Shuoker, B.,Pichler, M.J.,Jin, C.,Sakanaka, H.,Wu, H.,Gascuena, A.M.,Liu, J.,Nielsen, T.S.,Holgersson, J.,Nordberg Karlsson, E.,Juge, N.,Meier, S.,Morth, J.P.,Karlsson, N.G.,Abou Hachem, M. Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria. Nat Commun 2023 14 1833 1833 8AXS 37005422 Sialidases and Fucosidases of Akkermansia muciniphila are key for rapid growth on colonic mucin and nutrient sharing amongst mucin-associated human gut microbiota 2022-08-31 2023-03-01 Shuoker, B.,Pichler, M.J.,Jin, C.,Sakanaka, H.,Wu, H.,Gascuena, A.M.,Liu, J.,Nielsen, T.S.,Holgersson, J.,Nordberg Karlsson, E.,Juge, N.,Meier, S.,Morth, J.P.,Karlsson, N.G.,Abou Hachem, M. Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria. Nat Commun 2023 14 1833 1833 8HUA 37032973 Serial synchrotron crystallography structure of ba3-type cytochrome c oxidase from Thermus thermophilus using a goniometer compatible flow-cell 2022-12-22 2023-03-01 Ghosh, S.,Zoric, D.,Dahl, P.,Bjelcic, M.,Johannesson, J.,Sandelin, E.,Borjesson, P.,Bjorling, A.,Banacore, A.,Edlund, P.,Aurelius, O.,Milas, M.,Nan, J.,Shilova, A.,Gonzalez, A.,Mueller, U.,Branden, G.,Neutze, R. A simple goniometer-compatible flow cell for serial synchrotron X-ray crystallography. J.Appl.Crystallogr. 2023 56 449 460 7Z3Y Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013545 2022-03-02 2023-03-22 Scaletti, E.R.,Stenmark, P. Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013545 To Be Published 0 0 0 0 7Z6T Aspergillus clavatus M36 protease without the propeptide 2022-03-14 2023-03-22 Wilkens, C.,Qiu, J.,Meyer, A.S.,Morth, J.P. Aspergillus clavatus M36 protease without the propeptide To Be Published 0 0 0 0 8F0L 36991534 Crystal Structure of the Human T cell Receptor CD3(EPSILON) N-Terminal Peptide Complexed with ADI-26906 FAB 2022-11-03 2023-03-29 Liu, C.Y.,Ahonen, C.L.,Brown, M.E.,Zhou, L.,Welin, M.,Krauland, E.M.,Pejchal, R.,Widboom, P.F.,Battles, M.B. Structure-based engineering of a novel CD3 epsilon-targeting antibody for reduced polyreactivity. Mabs 2023 15 2189974 2189974 8HHU 36928316 Crystal structure of the SARS-CoV-2 main protease in complex with SY110 2022-11-17 2023-03-29 Huang, C.,Shuai, H.,Qiao, J.,Hou, Y.,Zeng, R.,Xia, A.,Xie, L.,Fang, Z.,Li, Y.,Yoon, C.,Huang, Q.,Hu, B.,You, J.,Quan, B.,Zhao, X.,Guo, N.,Zhang, S.,Ma, R.,Zhang, J.,Wang, Y.,Yang, R.,Zhang, S.,Nan, J.,Xu, H.,Wang, F.,Lei, J.,Chu, H.,Yang, S. A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther 2023 8 128 128 8AVA 37108702 Leukotriene A4 hydrolase in complex with 4-(4-benzylphenyl)-oxazol-2-amine 2022-08-26 2023-05-03 Teder, T.,Konig, S.,Singh, R.,Samuelsson, B.,Werz, O.,Garscha, U.,Haeggstrom, J.Z. Modulation of the 5-Lipoxygenase Pathway by Chalcogen-Containing Inhibitors of Leukotriene A 4 Hydrolase. Int J Mol Sci 2023 24 0 0 8AWH 37108702 Leukotriene A4 hydrolase in complex with 4-(4-Benzylphenyl)-selenazol-2-amine 2022-08-29 2023-05-03 Teder, T.,Konig, S.,Singh, R.,Samuelsson, B.,Werz, O.,Garscha, U.,Haeggstrom, J.Z. Modulation of the 5-Lipoxygenase Pathway by Chalcogen-Containing Inhibitors of Leukotriene A 4 Hydrolase. Int J Mol Sci 2023 24 0 0 7ZOH Carbohydrate binding domain CBMXX from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 2022-04-25 2023-05-10 Mazurkewich, S.,McKee, L.S. CBMXX: A new family of Carbohydrate Binding Modules displaying three distinct ligand binding sites with affinity for beta-glucans. To Be Published 0 0 0 0 7ZOI Carbohydrate binding domain CBMXX from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 2022-04-25 2023-05-10 Mazurkewich, S.,McKee, L.S. CBMXX: A new family of Carbohydrate Binding Modules displaying three distinct ligand binding sites with affinity for beta-glucans. To Be Published 0 0 0 0 7ZON Carbohydrate binding domain CBMXX from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 in complex with glucose 2022-04-26 2023-05-10 Mazurkewich, S.,McKee, L.S. CBMXX: A new family of Carbohydrate Binding Modules displaying three distinct ligand binding sites with affinity for beta-glucans. To Be Published 0 0 0 0 7ZOO Carbohydrate binding domain CBMXX from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 in complex with gentiobiose 2022-04-26 2023-05-10 Mazurkewich, S.,McKee, L.S. CBMXX: A new family of Carbohydrate Binding Modules displaying three distinct ligand binding sites with affinity for beta-glucans. To Be Published 0 0 0 0 7ZOP Carbohydrate binding domain CBMXX from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 in complex with sophorose. 2022-04-26 2023-05-10 Mazurkewich, S.,McKee, L.S. CBMXX: A new family of Carbohydrate Binding Modules displaying three distinct ligand binding sites with affinity for beta-glucans. To Be Published 0 0 0 0 8B8E 37098941 Wild-type GH11 from Blastobotrys mokoenaii 2022-10-04 2023-05-17 Ravn, J.L.,Ristinmaa, A.S.,Coleman, T.,Larsbrink, J.,Geijer, C. Yeasts Have Evolved Divergent Enzyme Strategies To Deconstruct and Metabolize Xylan. Microbiol Spectr 2023 11 0 0 8BSE 37141227 CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD) in complex with 1D1 Fab 2022-11-25 2023-05-17 Boonkrai, C.,Cotrone, T.S.,Chaisuriyong, W.,Tantawichien, T.,Thisyakorn, U.,Fernandez, S.,Hunsawong, T.,Reed, M.,Wongtangprasert, T.,Audomsun, T.,Phakham, T.,Attakitbancha, C.,Saelao, P.,Focht, D.,Kimbung, R.,Welin, M.,Malik, A.A.,Pisitkun, T.,Srisawat, N. Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants. Plos One 2023 18 0 0 8BSF 37141227 CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD-beta variant) in complex with 3D2 Fab 2022-11-25 2023-05-17 Boonkrai, C.,Cotrone, T.S.,Chaisuriyong, W.,Tantawichien, T.,Thisyakorn, U.,Fernandez, S.,Hunsawong, T.,Reed, M.,Wongtangprasert, T.,Audomsun, T.,Phakham, T.,Attakitbancha, C.,Saelao, P.,Focht, D.,Kimbung, R.,Welin, M.,Malik, A.A.,Pisitkun, T.,Srisawat, N. Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants. Plos One 2023 18 0 0 8B48 37227091 Structure of Lentithecium fluviatile carbohydrate esterase from the CE15 family (LfCE15C) 2022-09-20 2023-06-07 Mazurkewich, S.,Scholzen, K.C.,Brusch, R.H.,Poulsen, J.C.N.,Theibich, Y.,Huttner, S.,Olsson, L.,Larsbrink, J.,Lo Leggio, L. Structural and functional investigation of a fungal member of carbohydrate esterase family 15 with potential specificity for rare xylans. Acta Crystallogr D Struct Biol 2023 79 545 555 8B48 37227091 Structure of Lentithecium fluviatile carbohydrate esterase from the CE15 family (LfCE15C) 2022-09-20 2023-06-07 Mazurkewich, S.,Scholzen, K.C.,Brusch, R.H.,Poulsen, J.C.N.,Theibich, Y.,Huttner, S.,Olsson, L.,Larsbrink, J.,Lo Leggio, L. Structural and functional investigation of a fungal member of carbohydrate esterase family 15 with potential specificity for rare xylans. Acta Crystallogr D Struct Biol 2023 79 545 555 7ZYB BeKdgF with Ca 2022-05-24 2023-06-14 Fredslund, F.,Teze, D.,Welner, D.H. BeKdgF with Ca To Be Published 0 0 0 0 8CRG 37418448 E. coli adenylate kinase in complex with two ADP molecules as a result of enzymatic AP4A hydrolysis 2023-03-08 2023-06-14 Tischlik, S.,Oelker, M.,Rogne, P.,Sauer-Eriksson, A.E.,Drescher, M.,Wolf-Watz, M. Insights into Enzymatic Catalysis from Binding and Hydrolysis of Diadenosine Tetraphosphate by E. coli Adenylate Kinase. Biochemistry 2023 62 2238 2243 8P4Z Crystal structure of the human CDK7 kinase domain in complex with LDC4297 2023-05-23 2023-06-14 Laursen, M.,Caing-Carlsson, R.,Houssari, R.,Javadi, A.,Kimbung, Y.R.,Murina, V.,Orozco-Rodriguez, J.M.,Svensson, A.,Welin, M.,Logan, D.,Svensson, B.,Walse, B. Crystal structure of the human CDK7 kinase domain in complex with LDC4297 To Be Published 0 0 0 0 8CM1 37095149 Lol B - Localization of lipoprotein B from Vibrio cholera 2023-02-17 2023-06-21 Jaiman, D.,Nagampalli, R.,Persson, K. A comparative analysis of lipoprotein transport proteins: LolA and LolB from Vibrio cholerae and LolA from Porphyromonas gingivalis. Sci Rep 2023 13 6605 6605 8C5N 37459522 Sub-atomic resolution structure of the chitin-binding protein D (CbpD) from Pseudomonas aeruginosa 2023-01-09 2023-06-28 Askarian, F.,Tsai, C.M.,Cordara, G.,Zurich, R.H.,Bjanes, E.,Golten, O.,Vinther Sorensen, H.,Kousha, A.,Meier, A.,Chikwati, E.,Bruun, J.A.,Ludviksen, J.A.,Choudhury, B.,Trieu, D.,Davis, S.,Edvardsen, P.K.T.,Mollnes, T.E.,Liu, G.Y.,Krengel, U.,Conrad, D.J.,Vaaje-Kolstad, G.,Nizet, V. Immunization with lytic polysaccharide monooxygenase CbpD induces protective immunity against Pseudomonas aeruginosa pneumonia. Proc.Natl.Acad.Sci.USA 2023 120 0 0 8C7O 37326020 Unliganded transcriptional pleiotropic repressor CodY from Staphylococcus aureus 2023-01-16 2023-06-28 Hainzl, T.,Bonde, M.,Almqvist, F.,Johansson, J.,Sauer-Eriksson, A.E. Structural insights into CodY activation and DNA recognition. Nucleic Acids Res. 2023 51 7631 7648 8ORN 37502397 Crystal structure of Xanthomonas campestris pv. campestris LolA-LolB complex 2023-04-14 2023-07-05 Furlanetto, V.,Divne, C. LolA and LolB from the plant-pathogen Xanthomonas campestris forms a stable heterodimeric complex in the absence of lipoprotein. Front Microbiol 2023 14 1216799 1216799 8AVH 37371954 Crystal structure of IsdG from Bacillus cereus 2022-08-26 2023-07-12 Hammerstad, M.,Rugtveit, A.K.,Dahlen, S.,Andersen, H.K.,Hersleth, H.P. Functional Diversity of Homologous Oxidoreductases-Tuning of Substrate Specificity by a FAD-Stacking Residue for Iron Acquisition and Flavodoxin Reduction. Antioxidants 2023 12 0 0 8AVI 37371954 Crystal structure of IsdG from Bacillus cereus in complex with heme 2022-08-26 2023-07-12 Hammerstad, M.,Rugtveit, A.K.,Dahlen, S.,Andersen, H.K.,Hersleth, H.P. Functional Diversity of Homologous Oxidoreductases-Tuning of Substrate Specificity by a FAD-Stacking Residue for Iron Acquisition and Flavodoxin Reduction. Antioxidants 2023 12 0 0 8CGS 37442232 Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to antimony oxyanion 2023-02-06 2023-07-12 Engrola, F.,Correia, M.A.S.,Watson, C.,Romao, C.C.,Veiros, L.F.,Romao, M.J.,Santos-Silva, T.,Santini, J.M. Arsenite oxidase in complex with antimonite and arsenite oxyanions: Insights into the catalytic mechanism. J.Biol.Chem. 2023 299 105036 105036 8PDT Crystal structure of Paradendryphiella salina PL7C alginate lyase soaked with dimannuronic acid 2023-06-12 2023-07-12 Wilknes, C. Crystal structure of Paradendryphiella salina PL7C alginate lyase soaked with dimannuronic acid To Be Published 0 0 0 0 8C5H 37421204 NbSyt1 anti-(rat Synaptotagmin-1) nanobody bound to target cytosolic domain of Synaptotagmin-1 2023-01-09 2023-08-02 Queiroz Zetune Villa Real, K.,Mougios, N.,Rehm, R.,Sograte-Idrissi, S.,Albert, L.,Rahimi, A.M.,Maidorn, M.,Hentze, J.,Martinez-Carranza, M.,Hosseini, H.,Saal, K.A.,Oleksiievets, N.,Prigge, M.,Tsukanov, R.,Stenmark, P.,Fornasiero, E.F.,Opazo, F. A Versatile Synaptotagmin-1 Nanobody Provides Perturbation-Free Live Synaptic Imaging And Low Linkage-Error in Super-Resolution Microscopy. Small Methods 2023 7 0 0 8AMY 37642664 High-resolution crystal structure of the Mu8.1 conotoxin from Conus Mucronatus 2022-08-04 2023-08-23 Muller, E.,Hackney, C.M.,Ellgaard, L.,Morth, J.P. High-resolution crystal structure of the Mu8.1 conotoxin from Conus mucronatus. Acta Crystallogr.,Sect.F 2023 79 240 246 8BDD 37791757 Crystal structure of Bacteroides ovatus CP926 PL17 alginate lyase 2022-10-19 2023-08-30 Ronne, M.E.,Tandrup, T.,Madsen, M.,Hunt, C.J.,Myers, P.N.,Moll, J.M.,Holck, J.,Brix, S.,Strube, M.L.,Aachmann, F.L.,Wilkens, C.,Svensson, B. Three alginate lyases provide a new gut Bacteroides ovatus isolate with the ability to grow on alginate. Appl.Environ.Microbiol. 2023 89 0 0 8BDQ 37791757 Crystal structure of Bacteroides ovatus CP926 PL38 alginate lyase 2022-10-19 2023-08-30 Ronne, M.E.,Tandrup, T.,Madsen, M.,Hunt, C.J.,Myers, P.N.,Moll, J.M.,Holck, J.,Brix, S.,Strube, M.L.,Aachmann, F.L.,Wilkens, C.,Svensson, B. Three alginate lyases provide a new gut Bacteroides ovatus isolate with the ability to grow on alginate. Appl.Environ.Microbiol. 2023 89 0 0 8CQ4 37586588 Bifunctional cyclohexadienyl dehydratase/chorismate mutase from Janthinobacterium sp. HH01 2023-03-03 2023-08-30 Stocker, C.,Khatanbaatar, T.,Bressan, L.,Wurth-Roderer, K.,Cordara, G.,Krengel, U.,Kast, P. Novel exported fusion enzymes with chorismate mutase and cyclohexadienyl dehydratase activity: Shikimate pathway enzymes teamed up in no man's land. J.Biol.Chem. 2023 299 105161 105161 8CQ6 37586588 Bifunctional cyclohexadienyl dehydratase/chorismate mutase from Duganella sacchari 2023-03-03 2023-08-30 Stocker, C.,Khatanbaatar, T.,Bressan, L.,Wurth-Roderer, K.,Cordara, G.,Krengel, U.,Kast, P. Novel exported fusion enzymes with chorismate mutase and cyclohexadienyl dehydratase activity: Shikimate pathway enzymes teamed up in no man's land. J.Biol.Chem. 2023 299 105161 105161 8A3A MTH1 in complex with TH013074 2022-06-07 2023-09-20 Liu, H.,Scaletti, E.,Stenmark, P. MTH1 in complex with TH013074 To Be Published 0 0 0 0 8GHJ 37674034 Crystal structure of human AQP2 T125M mutant 2023-03-10 2023-09-20 Hagstromer, C.J.,Hyld Steffen, J.,Kreida, S.,Al-Jubair, T.,Frick, A.,Gourdon, P.,Tornroth-Horsefield, S. Structural and functional analysis of aquaporin-2 mutants involved in nephrogenic diabetes insipidus. Sci Rep 2023 13 14674 14674 8A34 MTH1 in complex with TH013071 2022-06-07 2023-09-27 Liu, H.,Scaletti, E.,Stenmark, P. MTH1 in complex with TH013071 To Be Published 0 0 0 0 8B5Q 37716703 Crystal Structure of P. aeruginosa WaaG in complex with UMP 2022-09-24 2023-10-04 Scaletti, E.R.,Pettersson, P.,Patrick, J.,Shilling, P.J.,Westergren, R.G.,Daley, D.O.,Maler, L.,Widmalm, G.,Stenmark, P. Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis. J.Biol.Chem. 2023 299 105256 105256 8B5S 37716703 Crystal Structure of P. aeruginosa WaaG in complex with UDP-glucose 2022-09-24 2023-10-04 Scaletti, E.R.,Pettersson, P.,Patrick, J.,Shilling, P.J.,Westergren, R.G.,Daley, D.O.,Maler, L.,Widmalm, G.,Stenmark, P. Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis. J.Biol.Chem. 2023 299 105256 105256 8P1A 37830774 Lysozyme structure solved from serial crystallography data collected at 2 kHz for 5 seconds with JUNGFRAU detector at MAXIV 2023-05-11 2023-10-18 Leonarski, F.,Nan, J.,Matej, Z.,Bertrand, Q.,Furrer, A.,Gorgisyan, I.,Bjelcic, M.,Kepa, M.,Glover, H.,Hinger, V.,Eriksson, T.,Cehovin, A.,Eguiraun, M.,Gasparotto, P.,Mozzanica, A.,Weinert, T.,Gonzalez, A.,Standfuss, J.,Wang, M.,Ursby, T.,Dworkowski, F. Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source. Iucrj 2023 10 729 737 8P1B 37830774 Lysozyme structure solved from serial crystallography data collected at 2 kHz with JUNGFRAU detector at MAXIV 2023-05-11 2023-10-18 Leonarski, F.,Nan, J.,Matej, Z.,Bertrand, Q.,Furrer, A.,Gorgisyan, I.,Bjelcic, M.,Kepa, M.,Glover, H.,Hinger, V.,Eriksson, T.,Cehovin, A.,Eguiraun, M.,Gasparotto, P.,Mozzanica, A.,Weinert, T.,Gonzalez, A.,Standfuss, J.,Wang, M.,Ursby, T.,Dworkowski, F. Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source. Iucrj 2023 10 729 737 8P1C 37830774 Lysozyme structure solved from serial crystallography data collected at 1 kHz with JUNGFRAU detector at MAXIV 2023-05-11 2023-10-18 Leonarski, F.,Nan, J.,Matej, Z.,Bertrand, Q.,Furrer, A.,Gorgisyan, I.,Bjelcic, M.,Kepa, M.,Glover, H.,Hinger, V.,Eriksson, T.,Cehovin, A.,Eguiraun, M.,Gasparotto, P.,Mozzanica, A.,Weinert, T.,Gonzalez, A.,Standfuss, J.,Wang, M.,Ursby, T.,Dworkowski, F. Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source. Iucrj 2023 10 729 737 8P1D 37830774 Lysozyme structure solved from serial crystallography data collected at 100 Hz with JUNGFRAU detector at MAXIV 2023-05-11 2023-10-18 Leonarski, F.,Nan, J.,Matej, Z.,Bertrand, Q.,Furrer, A.,Gorgisyan, I.,Bjelcic, M.,Kepa, M.,Glover, H.,Hinger, V.,Eriksson, T.,Cehovin, A.,Eguiraun, M.,Gasparotto, P.,Mozzanica, A.,Weinert, T.,Gonzalez, A.,Standfuss, J.,Wang, M.,Ursby, T.,Dworkowski, F. Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source. Iucrj 2023 10 729 737 8PUQ 37860963 MetHemoglobin structure from serial synchrotron crystallography with fixed target 2023-07-17 2023-10-18 Bjelcic, M.,Sigfridsson Clauss, K.G.V.,Aurelius, O.,Milas, M.,Nan, J.,Ursby, T. Anaerobic fixed-target serial crystallography using sandwiched silicon nitride membranes. Acta Crystallogr D Struct Biol 2023 79 1018 1025 8PUR 37860963 DexyHemoglobin structure from serial synchrotron crystallography with fixed target 2023-07-17 2023-10-18 Bjelcic, M.,Sigfridsson Clauss, K.G.V.,Aurelius, O.,Milas, M.,Nan, J.,Ursby, T. Anaerobic fixed-target serial crystallography using sandwiched silicon nitride membranes. Acta Crystallogr D Struct Biol 2023 79 1018 1025 8B79 37819038 The crystal structure of M644G variant of DNA Pol Epsilon containing UTP in the polymerase active site 2022-09-29 2023-10-25 Parkash, V.,Kulkarni, Y.,Bylund, G.O.,Osterman, P.,Kamerlin, S.C.L.,Johansson, E. A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides. Nucleic Acids Res. 2023 0 0 0 8Q1Q 37829032 mouse Keap1 in complex with stapled peptide 2023-08-01 2023-10-25 Iegre, J.,Krajcovicova, S.,Gunnarsson, A.,Wissler, L.,Kack, H.,Luchniak, A.,Tangefjord, S.,Narjes, F.,Spring, D.R. A cell-active cyclic peptide targeting the Nrf2/Keap1 protein-protein interaction. Chem Sci 2023 14 10800 10805 8Q1R 37829032 mouse Keap1 in complex with stapled peptide 2023-08-01 2023-10-25 Iegre, J.,Krajcovicova, S.,Gunnarsson, A.,Wissler, L.,Kack, H.,Luchniak, A.,Tangefjord, S.,Narjes, F.,Spring, D.R. A cell-active cyclic peptide targeting the Nrf2/Keap1 protein-protein interaction. Chem Sci 2023 14 10800 10805 8BPD 37877949 Structural and Functional Characterization of the Novel Endo-alpha(1,4)-Fucoidanase Mef1 from the Marine Bacterium Muricauda eckloniae 2022-11-16 2023-11-08 Mikkelsen, M.D.,Tran, V.H.N.,Meier, S.,Nguyen, T.T.,Holck, J.,Cao, H.T.T.,Van, T.T.T.,Thinh, P.D.,Meyer, A.S.,Morth, J.P. Structural and functional characterization of the novel endo-alpha (1,4)-fucoidanase Mef1 from the marine bacterium Muricauda eckloniae. Acta Crystallogr D Struct Biol 2023 79 1026 1043 8PBF 37878264 Galectin-3C in complex with a triazolesulfane derivative 2023-06-09 2023-11-08 Mahanti, M.,Pal, K.B.,Kumar, R.,Schulze, M.,Leffler, H.,Logan, D.T.,Nilsson, U.J. Ligand Sulfur Oxidation State Progressively Alters Galectin-3-Ligand Complex Conformations To Induce Affinity-Influencing Hydrogen Bonds. J.Med.Chem. 2023 66 14716 14723 8PF9 37878264 Galectin-3C in complex with a triazolesulfane derivative 2023-06-15 2023-11-08 Mahanti, M.,Pal, K.B.,Kumar, R.,Schulze, M.,Leffler, H.,Logan, D.T.,Nilsson, U.J. Ligand Sulfur Oxidation State Progressively Alters Galectin-3-Ligand Complex Conformations To Induce Affinity-Influencing Hydrogen Bonds. J.Med.Chem. 2023 66 14716 14723 8PFF 37878264 Galectin-3C in complex with a triazolesulfone derivative 2023-06-15 2023-11-08 Mahanti, M.,Pal, K.B.,Kumar, R.,Schulze, M.,Leffler, H.,Logan, D.T.,Nilsson, U.J. Ligand Sulfur Oxidation State Progressively Alters Galectin-3-Ligand Complex Conformations To Induce Affinity-Influencing Hydrogen Bonds. J.Med.Chem. 2023 66 14716 14723 8BJO Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F in complex with hexa-mannuronic acid 2022-11-04 2023-11-15 Wilkens, C.,Morth, J.P. Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F in complex with hexa-mannuronic acid To Be Published 0 0 0 0 8BQ7 Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH2829 2022-11-19 2023-11-29 Scaletti, E.,Stenmark, P. Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH2829 To Be Published 0 0 0 0 8CO0 37022308 Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide 2023-02-25 2023-12-13 Ivanova, J.N.,Nocentini, A.,Tars, K.,Leita Ns, J.N.,Dvinskis, E.,Kazaks, A.,Domraceva, I.,Supuran, C.T.,Zalubovskis, R. Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect. J.Med.Chem. 2023 66 5703 5718 8Q6S 38179933 A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola vulgatus ATCC 8482 2023-08-14 2023-12-13 Seveso, A.,Mazurkewich, S.,Banerjee, S.,Poulsen, J.-C.N.,Lo Leggio, L.,Larsbrink, J. Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds. Appl.Environ.Microbiol. 2024 90 0 0 8QEF 38179933 A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola ATCC 8482 bound to novel ligand. 2023-08-31 2023-12-13 Seveso, A.,Mazurkewich, S.,Banerjee, S.,Poulsen, J.-.C.N.,Lo Leggio, L.,Larsbrink, J. Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds. Appl.Environ.Microbiol. 2024 90 0 0 8BWK Metagenomic derived PL6 alginate lyase 2022-12-06 2023-12-20 Angen, E.F.,Wilkens, C. Metagenomic derived PL6 alginate lyase To Be Published 0 0 0 0 8BZK Crystal structure of Paradendryphiella salina PL7C alginate lyase with sulphate bound in the active site 2022-12-15 2023-12-27 Wilkens, C. Crystal structure of Paradendryphiella salina PL7C alginate lyase with sulphate bound in the active site To Be Published 0 0 0 0 8C0M Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F 2022-12-18 2023-12-27 Wilkens, C. Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F To Be Published 0 0 0 0 8CHE TLT-1 binding Fab of the bispecific antibody HMB-001 in complex with the TLT-1 stalk peptide 2023-02-07 2023-12-27 Gandhi, P.S.,Zivkovic, M.,Oestergaard, H.,Bonde, A.C.,Loevgreen, M.N.,Schluckebier, G.,Johansson, E.,Rea, C.J.,Soerensen, B.,Schutgens, R.E.,Urbanus, R.T.,Faber, J.H. HMB-001: A Novel Bispecific Antibody Accumulating and Targeting Endogenous FVIIa to Activated Platelets for Subcutaneous Prophylaxis in Multiple Bleeding Disorders Including Glanzmann Thrombasthenia. To Be Published 0 0 0 0 8POF 38073120 The crystal structure of RsSymEG1 reveals a unique form of smaller GH7 endoglucanases alongside GH7 cellobiohydrolases in protist symbionts of termites 2023-07-04 2023-12-27 Haataja, T.,Hansson, H.,Moriya, S.,Sandgren, M.,Stahlberg, J. The crystal structure of RsSymEG1 reveals a unique form of smaller GH7 endoglucanases alongside GH7 cellobiohydrolases in protist symbionts of termites. Febs J. 2024 291 1168 1185 8COE 38142486 complement C5 in complex with the LCP0195 nanobody 2023-02-28 2024-01-03 Jindal, S.,Pedersen, D.V.,Gera, N.,Chandler, J.,Patel, R.,Neill, A.,Cone, J.,Zhang, Y.,Yuan, C.X.,Millman, E.E.,Carlin, D.,Puffer, B.,Sheridan, D.,Andersen, G.R.,Tamburini, P. Characterization of the bispecific VHH antibody gefurulimab (ALXN1720) targeting complement component 5, and designed for low volume subcutaneous administration. Mol.Immunol. 2023 165 29 41 8CN4 Pa.FabF-C164Q in complex with 5-acetamido-2-chlorobenzoic acid 2023-02-21 2024-01-10 Georgiou, C.,Espeland, L.O.,Bukya, H.,Yadrykhinsky, V.,Haug, B.E.,Mainkar, P.,Brenk, R. New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv 2023 0 0 0 8CNG Pa.FabF-C164Q in complex with ~{N}-cyclopentyl-3-methyl-1~{H}-pyrazole-5-carboxamide 2023-02-22 2024-01-10 Georgiou, C.,Espeland, L.O.,Bukya, H.,Yadrykhinsky, V.,Haug, B.E.,Mainkar, P.,Brenk, R. New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv 2023 0 0 0 8ACF Structure of the argX-117 in complex with a complement C2 fragment at low pH 2022-07-05 2024-01-17 Olesen, H.G.,Andersen, G.R. Structure-function analysis of ARGX-117, a calcium- and pH-dependent clinical phase complement C2 blocking antibody To be published 0 0 0 0 8ACI Structure of ARG-117 Fab in complex with a fragment of complement C2, neutral pH 2022-07-05 2024-01-17 Olesen, H.G.,Andersen, G.R. Structure-function analysis of ARGX-117, a calcium- and pH-dependent clinical phase complement C2 blocking antibody To be published 0 0 0 0 8QVI Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. 2023-10-18 2024-01-17 Dunge, A.,Uwangue, O.,Phan, C.,Bjelcic, M.,Gunnarsson, J.,Wehlander, G.,Kack, H.,Branden, G. Exploring serial crystallography for drug discovery To Be Published 0 0 0 0 8R43 Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant H110N in complex with tri-mannuronic acid 2023-11-12 2024-01-17 Wilkens, C. Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant H110N in complex with tri-mannuronic acid To Be Published 0 0 0 0 8RBI Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant H124 2023-12-04 2024-01-17 Wilkens, C. Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant H124 To Be Published 0 0 0 0 8OQL Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-1 2023-04-12 2024-01-24 Dalwani, S.,Metz, A.,Huschmann, F.U.,Weiss, M.S.,Wierenga, R.K.,Venkatesan, R. Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv 2024 0 0 0 8OQM Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-10 2023-04-12 2024-01-24 Dalwani, S.,Metz, A.,Huschmann, F.U.,Weiss, M.S.,Wierenga, R.K.,Venkatesan, R. Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv 2024 0 0 0 8OQQ Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-79 2023-04-12 2024-01-24 Dalwani, S.,Metz, A.,Huschmann, F.U.,Weiss, M.S.,Wierenga, R.K.,Venkatesan, R. Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv 2024 0 0 0 8OQR Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-80 2023-04-12 2024-01-24 Dalwani, S.,Metz, A.,Huschmann, F.U.,Weiss, M.S.,Wierenga, R.K.,Venkatesan, R. Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv 2024 0 0 0 8OQS Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-83 2023-04-12 2024-01-24 Dalwani, S.,Metz, A.,Huschmann, F.U.,Weiss, M.S.,Wierenga, R.K.,Venkatesan, R. Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv 2024 0 0 0 8OQT Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-91 2023-04-12 2024-01-24 Dalwani, S.,Metz, A.,Huschmann, F.U.,Weiss, M.S.,Wierenga, R.K.,Venkatesan, R. Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv 2024 0 0 0 8OQU Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-92 2023-04-12 2024-01-24 Dalwani, S.,Metz, A.,Huschmann, F.U.,Weiss, M.S.,Wierenga, R.K.,Venkatesan, R. Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv 2024 0 0 0 8OQV Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-109 2023-04-12 2024-01-24 Dalwani, S.,Metz, A.,Huschmann, F.U.,Weiss, M.S.,Wierenga, R.K.,Venkatesan, R. Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv 2024 0 0 0 8R37 38203259 Klebsiella pneumoniae fosfomycin-resistance protein (FosAKP) 2023-11-08 2024-01-24 Varotsou, C.,Ataya, F.,Papageorgiou, A.C.,Labrou, N.E. Structural Studies of Klebsiella pneumoniae Fosfomycin-Resistance Protein and Its Application for the Development of an Optical Biosensor for Fosfomycin Determination. Int J Mol Sci 2023 25 0 0 8Q90 38244746 Halophilic Lrp transcription factor 2023-08-19 2024-01-31 Matarredona, L.,Garcia-Bonete, M.J.,Guio, J.,Camacho, M.,Fillat, M.F.,Esclapez, J.,Bonete, M.J. Global Lrp regulator protein from Haloferax mediterranei: Transcriptional analysis and structural characterization. Int.J.Biol.Macromol. 2024 260 129541 129541 8UV0 38325398 Discovery of (4-Pyrazolyl)-2-Aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2 2023-11-02 2024-02-14 Hummel, J.R.,Xiao, K.J.,Yang, J.C.,Epling, L.B.,Mukai, K.,Ye, Q.,Xu, M.,Qian, D.,Huo, L.,Weber, M.,Roman, V.,Lo, Y.,Drake, K.,Stump, K.,Covington, M.,Kapilashrami, K.,Zhang, G.,Ye, M.,Diamond, S.,Yeleswaram, S.,Macarron, R.,Deller, M.C.,Wee, S.,Kim, S.,Wang, X.,Wu, L.,Yao, W. Discovery of (4-Pyrazolyl)-2-aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2. J.Med.Chem. 2024 67 3112 3126 8CGQ Crystal structure of UGT708A6 with UDP 2023-02-06 2024-02-21 Fredslund, F.,Bidart, G.N.,Welner, D.H. Crystal structure of UGT708A6 with UDP To Be Published 0 0 0 0 8PVS Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood 2023-07-18 2024-02-28 Jensen, M.,Stenfelt, L.,Hagman, J.R.,Pichler, M.J.,Weikum, J.,Nielsen, T.S.,Hult, A.,Morth, J.P.,Olsson, M.L.,Abou Hachem, M. Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood To Be Published 0 0 0 0 8PXU Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood 2023-07-24 2024-02-28 Jensen, M.,Stenfelt, L.,Hagman, J.R.,Pichler, M.J.,Weikum, J.,Nielsen, T.S.,Hult, A.,Morth, J.P.,Olsson, M.L.,Abou Hachem, M. Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood To Be Published 0 0 0 0 8PXV Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood 2023-07-24 2024-02-28 Jensen, M.,Stenfelt, L.,Hagman, J.R.,Pichler, M.J.,Weikum, J.,Nielsen, T.S.,Hult, A.,Morth, J.P.,Olsson, M.L.,Abou Hachem, M. Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood To Be Published 0 0 0 0 8RB6 38364714 Structure of Aldo-Keto Reductase 1C3 (AKR1C3) in complex with an inhibitor M689, with the 3-hydroxy-benzoisoxazole moiety. Resolution 2.0A 2023-12-03 2024-03-06 Pippione, A.C.,Kovachka, S.,Vigato, C.,Bertarini, L.,Mannella, I.,Sainas, S.,Rolando, B.,Denasio, E.,Piercy-Mycock, H.,Romalho, L.,Salladini, E.,Adinolfi, S.,Zonari, D.,Peraldo-Neia, C.,Chiorino, G.,Passoni, A.,Mirza, O.A.,Frydenvang, K.,Pors, K.,Lolli, M.L.,Spyrakis, F.,Oliaro-Bosso, S.,Boschi, D. Structure-guided optimization of 3-hydroxybenzoisoxazole derivatives as inhibitors of Aldo-keto reductase 1C3 (AKR1C3) to target prostate cancer. Eur.J.Med.Chem. 2024 268 116193 116193 8OZ3 37796298 Crystal structure of scFv ATOR 1017 bound to human 4-1BB 2023-05-08 2024-03-13 Enell Smith, K.,Fritzell, S.,Nilsson, A.,Barchan, K.,Rosen, A.,Schultz, L.,Varas, L.,Sall, A.,Rose, N.,Hakansson, M.,von Schantz, L.,Ellmark, P. ATOR-1017 (evunzekibart), an Fc-gamma receptor conditional 4-1BB agonist designed for optimal safety and efficacy, activates exhausted T cells in combination with anti-PD-1. Cancer Immunol.Immunother. 2023 72 4145 4159 8R4Q 38508313 Salt inducible kinase 3 in complex with inhibitor 2023-11-14 2024-03-27 Oster, L.,Castaldo, M.,de Vries, E.,Edfeldt, F.,Pemberton, N.,Gordon, E.,Cederblad, L.,Kack, H. The structures of salt inducible kinase 3 in complex with pharmacological inhibitors reveal determinants for binding and selectivity. J.Biol.Chem. 2024 0 107201 107201 8R4U 38508313 Structure of salt-inducible kinase 3 with inhibitors 2023-11-14 2024-03-27 Oster, L.,Castaldo, M.,de Vries, E.,Edfeldt, F.,Pemberton, N.,Gordon, E.,Cederblad, L.,Kack, H. The structures of salt inducible kinase 3 in complex with pharmacological inhibitors reveal determinants for binding and selectivity. J.Biol.Chem. 2024 0 107201 107201 8BAN 38593081 Secretagogin (mouse) in complex with its target peptide from SNAP-25 2022-10-11 2024-04-03 Szodorai, E.,Hevesi, Z.,Wagner, L.,Hokfelt, T.G.M.,Harkany, T.,Schnell, R. A hydrophobic groove in secretagogin allows for alternate interactions with SNAP-25 and syntaxin-4 in endocrine tissues. Proc.Natl.Acad.Sci.USA 2024 121 0 0 8BAV 38593081 Secretagogin (human) in complex with its target peptide from SNAP-25 2022-10-12 2024-04-03 Szodorai, E.,Hevesi, Z.,Wagner, L.,Hokfelt, T.G.M.,Harkany, T.,Schnell, R. A hydrophobic groove in secretagogin allows for alternate interactions with SNAP-25 and syntaxin-4 in endocrine tissues. Proc.Natl.Acad.Sci.USA 2024 121 0 0 8BBJ 38593081 Secretagogin (mouse) in complex with its target peptide from Syntaxin-4 2022-10-13 2024-04-03 Szodorai, E.,Hevesi, Z.,Wagner, L.,Hokfelt, T.G.M.,Harkany, T.,Schnell, R. A hydrophobic groove in secretagogin allows for alternate interactions with SNAP-25 and syntaxin-4 in endocrine tissues. Proc.Natl.Acad.Sci.USA 2024 121 0 0 8QK9 38579010 Structure of E. coli LpxH in complex with JEDI-1444 2023-09-14 2024-04-17 Huseby, D.L.,Cao, S.,Zamaratski, E.,Sooriyaarachchi, S.,Ahmad, S.,Bergfors, T.,Krasnova, L.,Pelss, J.,Ikaunieks, M.,Loza, E.,Katkevics, M.,Bobileva, O.,Cirule, H.,Gukalova, B.,Grinberga, S.,Backlund, M.,Simoff, I.,Leber, A.T.,Berruga-Fernandez, T.,Antonov, D.,Konda, V.R.,Lindstrom, S.,Olanders, G.,Brandt, P.,Baranczewski, P.,Vingsbo Lundberg, C.,Liepinsh, E.,Suna, E.,Jones, T.A.,Mowbray, S.L.,Hughes, D.,Karlen, A. Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria. Proc.Natl.Acad.Sci.USA 2024 121 0 0 8QKA 38579010 Structure of K. pneumoniae LpxH in complex with JEDI-852 2023-09-14 2024-04-17 Huseby, D.L.,Cao, S.,Zamaratski, E.,Sooriyaarachchi, S.,Ahmad, S.,Bergfors, T.,Krasnova, L.,Pelss, J.,Ikaunieks, M.,Loza, E.,Katkevics, M.,Bobileva, O.,Cirule, H.,Gukalova, B.,Grinberga, S.,Backlund, M.,Simoff, I.,Leber, A.T.,Berruga-Fernandez, T.,Antonov, D.,Konda, V.R.,Lindstrom, S.,Olanders, G.,Brandt, P.,Baranczewski, P.,Vingsbo Lundberg, C.,Liepinsh, E.,Suna, E.,Jones, T.A.,Mowbray, S.L.,Hughes, D.,Karlen, A. Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria. Proc.Natl.Acad.Sci.USA 2024 121 0 0 8C67 Crystal structure of Ab25 Fab 2023-01-11 2024-04-24 Izadi, A.,Karami, Y.,Bratanis, E.,Wrighton, S.,Khakzad, H.,Nyblom, M.,Olofsson, B.,Happonen, L.,Tang, D.,Nilges, M.,Malmstroem, J.,Bahnan, W.,Shannon, O.,Malmstroem, L.,Nordenfelt, P. Engineering of IgG1 hinge to the flexible IgG3 hinge enhances immune defense against streptococci To Be Published 0 0 0 0 8ORC Mus Musculus Acetylcholinesterase in complex with AL237 2023-04-13 2024-04-24 Kumari, R.,Lindgren, C.,Kumar, R.,Forsgren, N.,Andersson, D.,Ekstrom, F.,Linusson, A. Enzyme Dynamics Determine Potency and Selectivity of Inhibitors Targeting Disease-Transmitting Mosquitoes To Be Published 0 0 0 0