1OJR
 
 | | L-rhamnulose-1-phosphate aldolase from Escherichia coli (mutant E192A) | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, Dihydroxyacetone, GLYCEROL, ... | | 著者 | Kroemer, M, Merkel, I, Schulz, G.E. | | 登録日 | 2003-07-15 | | 公開日 | 2003-09-11 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structure and Catalytic Mechanism of L-Rhamnulose-1-Phosphate Aldolase.
Biochemistry, 42, 2003
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1GT7
 | | L-rhamnulose-1-phosphate aldolase from Escherichia coli | | 分子名称: | PHOSPHOGLYCOLOHYDROXAMIC ACID, RHAMNULOSE-1-PHOSPHATE ALDOLASE, ZINC ION | | 著者 | Kroemer, M, Schulz, G.E. | | 登録日 | 2002-01-14 | | 公開日 | 2002-05-03 | | 最終更新日 | 2019-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The Structure of L-Rhamnulose-1-Phosphate Aldolase (Class II) Solved by Low-Resolution Sir Phasing and 20-Fold Ncs Averaging
Acta Crystallogr.,Sect.D, 58, 2002
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3KGA
 | | Crystal structure of MAPKAP kinase 2 (MK2) complexed with a potent 3-aminopyrazole ATP site inhibitor | | 分子名称: | 6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one, MAGNESIUM ION, MAP kinase-activated protein kinase 2 | | 著者 | Kroemer, M, Velcicky, J, Izaac, A, Be, C, Huppertz, C, Pflieger, D, Schlapbach, A, Scheufler, C. | | 登録日 | 2009-10-28 | | 公開日 | 2010-01-26 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy.
Bioorg.Med.Chem.Lett., 20, 2010
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3M2W
 | | Crystal structure of MAPKAK kinase 2 (MK2) complexed with a spiroazetidine-tetracyclic ATP site inhibitor | | 分子名称: | 2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one, MAGNESIUM ION, MAP kinase-activated protein kinase 2 | | 著者 | Kroemer, M, Revesz, L, Be, C, Izaac, A, Huppertz, C, Schlapbach, A, Scheufler, C. | | 登録日 | 2010-03-08 | | 公開日 | 2010-07-28 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | In vivo and in vitro SAR of tetracyclic MAPKAP-K2 (MK2) inhibitors. Part II.
Bioorg.Med.Chem.Lett., 20, 2010
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2F8C
 | | Crystal structure of FPPS in complex with Zoledronate | | 分子名称: | Farnesyl Diphosphate Synthase, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W. | | 登録日 | 2005-12-02 | | 公開日 | 2006-02-28 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs.
Chemmedchem, 1, 2006
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2F92
 | | Crystal structure of human FPPS in complex with alendronate | | 分子名称: | 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, Farnesyl Diphosphate Synthase, PHOSPHATE ION, ... | | 著者 | Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W. | | 登録日 | 2005-12-05 | | 公開日 | 2006-02-28 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs.
Chemmedchem, 1, 2006
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2F8Z
 | | Crystal structure of human FPPS in complex with zoledronate and isopentenyl diphosphate | | 分子名称: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl Diphosphate Synthase, MAGNESIUM ION, ... | | 著者 | Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W. | | 登録日 | 2005-12-02 | | 公開日 | 2006-02-28 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs.
Chemmedchem, 1, 2006
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2F89
 | | Crystal structure of human FPPS in complex with pamidronate | | 分子名称: | Farnesyl Diphosphate Synthase, MANGANESE (II) ION, PAMIDRONATE, ... | | 著者 | Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W. | | 登録日 | 2005-12-02 | | 公開日 | 2006-02-28 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs.
Chemmedchem, 1, 2006
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2F94
 | | Crystal structure of human FPPS in complex with ibandronate | | 分子名称: | Farnesyl Diphosphate Synthase, IBANDRONATE, PHOSPHATE ION, ... | | 著者 | Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W. | | 登録日 | 2005-12-05 | | 公開日 | 2006-02-28 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs.
Chemmedchem, 1, 2006
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2HD5
 | | USP2 in complex with ubiquitin | | 分子名称: | Polyubiquitin, Ubiquitin carboxyl-terminal hydrolase 2, ZINC ION | | 著者 | Renatus, M, Kroemer, M. | | 登録日 | 2006-06-20 | | 公開日 | 2006-08-15 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural Basis of Ubiquitin Recognition by the Deubiquitinating Protease USP2.
Structure, 14, 2006
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2FOM
 | | Dengue Virus NS2B/NS3 Protease | | 分子名称: | CHLORIDE ION, GLYCEROL, polyprotein | | 著者 | Schiering, N, Kroemer, M, Renatus, M, Erbel, P, D'Arcy, A. | | 登録日 | 2006-01-13 | | 公開日 | 2006-03-07 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural basis for the activation of flaviviral NS3 proteases from dengue and West Nile virus.
Nat.Struct.Mol.Biol., 13, 2006
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2F7M
 | | Crystal Structure of Unliganded Human FPPS | | 分子名称: | Farnesyl Diphosphate Synthase, PHOSPHATE ION | | 著者 | Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W. | | 登録日 | 2005-12-01 | | 公開日 | 2006-02-28 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs.
Chemmedchem, 1, 2006
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2F9K
 | | Crystal structure of human FPPS in complex with Zoledronate and Zn2+ | | 分子名称: | Farnesyl Diphosphate Synthase, PHOSPHATE ION, ZINC ION, ... | | 著者 | Rondeau, J.-M, Bitsch, F, Bourgier, E, Geiser, M, Hemmig, R, Kroemer, M, Lehmann, S, Ramage, P, Rieffel, S, Strauss, A, Green, J.R, Jahnke, W. | | 登録日 | 2005-12-06 | | 公開日 | 2006-02-28 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs.
Chemmedchem, 1, 2006
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3KRR
 | | Crystal Structure of JAK2 complexed with a potent quinoxaline ATP site inhibitor | | 分子名称: | 8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1H-pyrazol-4-yl)quinoxaline, Tyrosine-protein kinase JAK2 | | 著者 | Tavares, G.A, Gerspacher, M, Kroemer, M, Scheufler, C. | | 登録日 | 2009-11-19 | | 公開日 | 2010-07-21 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Potent and Selective Inhibition of Polycythemia by the Quinoxaline JAK2 Inhibitor NVP-BSK805
Mol.Cancer Ther., 9, 2010
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2PRN
 | | RHODOPSEUDOMONAS BLASTICA PORIN, TRIPLE MUTANT E1M, E99W, A116W | | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, PORIN | | 著者 | Maveyraud, L, Schmid, B, Schulz, G.E. | | 登録日 | 1998-06-12 | | 公開日 | 1999-01-13 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Porin mutants with new channel properties.
Protein Sci., 7, 1998
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2FP7
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4N8E
 | | DPP4 complexed with compound 12a | | 分子名称: | 1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | | 著者 | Ostermann, N, Zink, F, Kroemer, M. | | 登録日 | 2013-10-17 | | 公開日 | 2014-02-12 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 24, 2014
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4N8D
 | | DPP4 complexed with syn-7aa | | 分子名称: | 1-(cis-1-phenyl-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | | 著者 | Ostermann, N, Zink, F, Kroemer, M. | | 登録日 | 2013-10-17 | | 公開日 | 2014-02-12 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 24, 2014
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3PJC
 | | Crystal structure of JAK3 complexed with a potent ATP site inhibitor showing high selectivity within the Janus kinase family | | 分子名称: | 3-(1H-indol-3-yl)-4-[2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrole-2,5-dione, Tyrosine-protein kinase JAK3 | | 著者 | Tavares, G.A, Thoma, G, Zerwes, H.-G, Kroemer, M. | | 登録日 | 2010-11-09 | | 公開日 | 2010-12-29 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Identification of a Potent Janus Kinase 3 Inhibitor with High Selectivity within the Janus Kinase Family.
J.Med.Chem., 54, 2011
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4GJB
 | | Crystal structure of renin in complex with NVP-BBV031 (compound 6) | | 分子名称: | (3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ... | | 著者 | Ostermann, N, Zink, F, Kroemer, M. | | 登録日 | 2012-08-09 | | 公開日 | 2013-02-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
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4GJ9
 | | Crystal structure of renin in complex with GP055321 (compound 4) | | 分子名称: | (2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | 著者 | Ostermann, N, Zink, F, Kroemer, M. | | 登録日 | 2012-08-09 | | 公開日 | 2013-02-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
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4GJ8
 | | Crystal structure of renin in complex with PKF909-724 (compound 3) | | 分子名称: | (2R)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol, (2S)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Ostermann, N, Zink, F, Kroemer, M. | | 登録日 | 2012-08-09 | | 公開日 | 2013-02-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
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4GJD
 | | Crystal structure of renin in complex with NVP-BGQ311 (compound 12) | | 分子名称: | (3S,5R)-N-{[9-(4-methoxybutyl)-9H-xanthen-9-yl]methyl}-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ... | | 著者 | Ostermann, N, Zink, F, Kroemer, M. | | 登録日 | 2012-08-09 | | 公開日 | 2013-02-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
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4GJA
 | | Crystal structure of renin in complex with NVP-AYL747 (compound 5) | | 分子名称: | (3S,5R)-N-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ... | | 著者 | Ostermann, N, Zink, F, Kroemer, M. | | 登録日 | 2012-08-09 | | 公開日 | 2013-02-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
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4GJC
 | | Crystal structure of renin in complex with NVP-BCH965 (compound 9) | | 分子名称: | (3S,5R)-5-{[(4-methylphenyl)sulfonyl]amino}-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ... | | 著者 | Ostermann, N, Zink, F, Kroemer, M. | | 登録日 | 2012-08-09 | | 公開日 | 2013-02-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
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