PDB: 36840 resultsInfo pagesStatus searchChemie searchBIRD

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5P78	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 305 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 (1.687 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
2AYW	Crystal Structure of the complex formed between trypsin and a designed synthetic highly potent inhibitor in the presence of benzamidine at 0.97 A resolution Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID, BENZAMIDINE, ... Authors: Sherawat, M, Kaur, P, Perbandt, M, Betzel, C, Slusarchyk, W.A, Bisacchi, G.S, Chang, C, Jacobson, B.L, Einspahr, H.M, Singh, T.P. Deposit date: 2005-09-09 Release date: 2006-01-17 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (0.97 Å) Cite: Structure of the complex of trypsin with a highly potent synthetic inhibitor at 0.97 A resolution. Acta Crystallogr.,Sect.D, 63, 2007
5P7N	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 320 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 (1.647 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P7Z	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 332 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 (1.259 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
1HSW	LYSOZYME (MUCOPEPTIDE N-ACETYLMURAMYL HYDROLASE) Descriptor: LYSOZYME Authors: Sukumar, N, Biswal, B.K, Vijayan, M. Deposit date: 1998-06-04 Release date: 1998-08-12 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2 Å) Cite: Structures of orthorhombic lysozyme grown at basic pH and its low-humidity variant. Acta Crystallogr.,Sect.D, 55, 1999
5P8B	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 344 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 (1.548 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P8N	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 356 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 (1.488 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
2AYM	Solution Structure of Drosophila melanogaster SNF RBD2 Descriptor: U1 small nuclear ribonucleoprotein A Authors: Cui, G, Li, C, Jin, C, Xia, B. Deposit date: 2005-09-07 Release date: 2007-02-13 Last modified: 2024-05-29 Method: SOLUTION NMR Cite: Solution Structure of Drosophila melanogaster SNF RBD2 To be published
5OYT	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 4 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 (1.589 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
1WZY	Crystal structure of human ERK2 complexed with a pyrazolopyridazine derivative Descriptor: 1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, Mitogen-activated protein kinase 1 Authors: Kinoshita, T. Deposit date: 2005-03-10 Release date: 2005-12-20 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal structure of human ERK2 complexed with a pyrazolo[3,4-c]pyridazine derivative Bioorg.Med.Chem.Lett., 16, 2006
5OZ2	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 13 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 (1.61 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5OZA	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 21 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 (1.49 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5OZK	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 31 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 (1.328 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
1HVR	RATIONAL DESIGN OF POTENT, BIOAVAILABLE, NONPEPTIDE CYCLIC UREAS AS HIV PROTEASE INHIBITORS Descriptor: HIV-1 PROTEASE, [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2-NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-ONE Authors: Chang, C.-H. Deposit date: 1994-02-14 Release date: 1995-01-26 Last modified: 2017-11-29 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors. Science, 263, 1994
2YIQ	Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1322 Descriptor: (E)-5-(1-(2-CARBAMIMIDOYLHYDRAZONO)ETHYL)-N-(1H-INDOL-6-YL)-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 Authors: Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S. Deposit date: 2011-05-16 Release date: 2011-09-07 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.89 Å) Cite: X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket. FEBS Lett., 585, 2011
2R3P	Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor Descriptor: 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2 Authors: Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. Deposit date: 2007-08-29 Release date: 2008-01-22 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.66 Å) Cite: Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
5OZV	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 42 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 (1.476 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P08	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 55 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 (1.605 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
2CPJ	Solution structure of the N-terminal RNA recognition motif of NonO Descriptor: Non-POU domain-containing octamer-binding protein Authors: Nagata, T, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2005-05-19 Release date: 2005-11-19 Last modified: 2024-05-29 Method: SOLUTION NMR Cite: Solution structure of the N-terminal RNA recognition motif of NonO To be Published
5P0O	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 71 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 (1.328 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P13	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 86 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 (1.399 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
3FLN	P38 kinase crystal structure in complex with R1487 Descriptor: 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 Authors: Kuglstatter, A, Knapp, M. Deposit date: 2008-12-19 Release date: 2009-12-22 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.9 Å) Cite: The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
5P1I	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 101 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 (1.338 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
3FLY	P38 kinase crystal structure in complex with 6-(2,4-difluoro-phenoxy)-2-isopropylamino-8-methyl-8h-pyrido[2,3-d]pyrimidin-7-one Descriptor: 6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 Authors: Kuglstatter, A, Ghate, M. Deposit date: 2008-12-19 Release date: 2009-12-22 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.8 Å) Cite: The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
2CQD	Solution Structure of the RNA recognition motif in RNA-binding region containing protein 1 Descriptor: RNA-binding region containing protein 1 Authors: Someya, T, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2005-05-19 Release date: 2005-11-19 Last modified: 2024-05-29 Method: SOLUTION NMR Cite: Solution Structure of the RNA recognition motif in RNA-binding region containing protein 1 To be Published

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