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5P5J	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 244 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.169 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P1L	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 104 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.249 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P20	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 119 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.435 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P2G	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 134 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.489 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
1I09	STRUCTURE OF GLYCOGEN SYNTHASE KINASE-3 (GSK3B) Descriptor: GLYCOGEN SYNTHASE KINASE-3 BETA, PHOSPHATE ION Authors: Ter Haar, E, Coll, J.T, Jain, J. Deposit date: 2001-01-29 Release date: 2002-01-01 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structure of GSK3beta reveals a primed phosphorylation mechanism. Nat.Struct.Biol., 8, 2001
1WVN	Crystal Structure of domain 3 of human alpha polyC binding protein Descriptor: Poly(rC)-binding protein 1 Authors: Wilce, M.C.J, Wilce, J.A, Sidiqu, M. Deposit date: 2004-12-17 Release date: 2005-04-05 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure and RNA binding of the third KH domain of poly(C)-binding protein 1. Nucleic Acids Res., 33, 2005
3FDN	Structure-based drug design of novel Aurora kinase A inhibitors: Structure basis for potency and specificity Descriptor: N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide, Serine/threonine-protein kinase 6 Authors: Leou, J.S, Wu, J.S, Coumar, M.S, Shukla, P, Hsieh, H.P, Wu, S.Y. Deposit date: 2008-11-26 Release date: 2009-09-15 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure-based drug design of novel Aurora kinase A inhibitors: structural basis for potency and specificity J.Med.Chem., 52, 2009
3TZM	TGF-beta Receptor type 1 in complex with SB431542 Descriptor: 4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide, TGF-beta receptor type-1 Authors: Ogunjimi, A.A, Zeqiraj, E, Ceccarelli, D.F, Sicheri, F. Deposit date: 2011-09-27 Release date: 2012-05-23 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structural Basis for Specificity of TGFbeta Family Receptor Small Molecule Inhibitors Cell Signal, 24, 2012
5P2U	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 147 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.379 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P39	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 162 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.188 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P3M	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 175 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.189 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5OZQ	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 37 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.503 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P41	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 190 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.278 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P01	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 48 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.514 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
2D09	A Role for Active Site Water Molecules and Hydroxyl Groups of Substrate for Oxygen Activation in Cytochrome P450 158A2 Descriptor: FLAVIOLIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Zhao, B, Waterman, M.R. Deposit date: 2005-07-30 Release date: 2005-10-25 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Role of active site water molecules and substrate hydroxyl groups in oxygen activation by cytochrome P450 158A2: a new mechanism of proton transfer J.Biol.Chem., 280, 2005
1WWG	NMR Structure Determined for MLV NC Complex with RNA Sequence UAUCUG Descriptor: 5'-R(P*UP*AP*UP*CP*UP*G)-3', Nucleoprotein p10, ZINC ION Authors: Dey, A, York, D, Smalls-Mantey, A, Summers, M.F. Deposit date: 2005-01-05 Release date: 2005-04-05 Last modified: 2024-05-29 Method: SOLUTION NMR Cite: Composition and sequence-dependent binding of RNA to the nucleocapsid protein of Moloney murine leukemia virus(,) Biochemistry, 44, 2005
5P4M	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 211 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.07 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P52	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 227 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.27 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P0E	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 61 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.799 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P5F	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 240 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.298 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P0S	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 75 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.2 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P5U	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 255 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.419 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
2CUE	Solution structure of the homeobox domain of the human paired box protein Pax-6 Descriptor: Paired box protein Pax6 Authors: Ohnishi, S, Kigawa, T, Tochio, N, Tomizawa, T, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2005-05-26 Release date: 2005-11-26 Last modified: 2024-05-29 Method: SOLUTION NMR Cite: Solution structure of the homeobox domain of the human paired box protein Pax-6 To be Published
1SQO	Substituted 2-Naphthamidine Inhibitors of Urokinase Descriptor: 8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMIDE, SULFATE ION, Urokinase-type plasminogen activator Authors: Wendt, M.D, Geyer, A, McClellan, W.J, Rockway, T.W, Weitzberg, M, Zhao, X, Mantei, R, Stewart, K, Nienaber, V, Klinghofer, V, Giranda, V.L. Deposit date: 2004-03-19 Release date: 2004-04-27 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Interaction with the S1beta-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors. Bioorg.Med.Chem.Lett., 14, 2004
5P18	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 91 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.349 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

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