1TZS
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![BU of 1tzs by Molmil](/molmil-images/mine/1tzs) | Crystal Structure of an activation intermediate of Cathepsin E | Descriptor: | 23-mer peptide from PelB-IgG kappa light chain fusion protein, Cathepsin E, activation peptide from Cathepsin E | Authors: | Ostermann, N, Gerhartz, B, Worpenberg, S, Trappe, J, Eder, J. | Deposit date: | 2004-07-12 | Release date: | 2005-07-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of an activation intermediate of cathepsin e J.Mol.Biol., 342, 2004
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1E99
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![BU of 1e99 by Molmil](/molmil-images/mine/1e99) | Human thymidylate kinase complexed with AZTMP and ADP | Descriptor: | 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ostermann, N, Lavie, A, Padiyar, S, Brundiers, R, Veit, T, Reinstein, J, Goody, R.S, Konrad, M, Schlichting, I. | Deposit date: | 2000-10-10 | Release date: | 2001-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Potentiating Azt Activation: Structures of Wildtype and Mutant Human Thymidylate Kinase Suggest Reasons for the Mutants' Improved Kinetics with the HIV Prodrug Metabolite Aztmp J.Mol.Biol., 304, 2000
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1E9E
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![BU of 1e9e by Molmil](/molmil-images/mine/1e9e) | Mutant human thymidylate kinase (F105Y) complexed with dTMP and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ... | Authors: | Ostermann, N, Lavie, A, Padiyar, S, Brundiers, R, Veit, T, Reintein, J, Goody, R.S, Konrad, M, Schlichting, I. | Deposit date: | 2000-10-11 | Release date: | 2001-10-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Potentiating Azt Activation: Structures of Wildtype and Mutant Human Thymidylate Kinase Suggest Reasons for the Mutants' Improved Kinetics with the HIV Prodrug Metabolite Aztmp J.Mol.Biol., 304, 2000
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1E9D
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![BU of 1e9d by Molmil](/molmil-images/mine/1e9d) | Mutant human thymidylate kinase (F105Y) complexed with AZTMP and ADP | Descriptor: | 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ostermann, N, Lavie, A, Padiyar, S, Brundiers, R, Veit, T, Reintein, J, Goody, R.S, Konrad, M, Schlichting, I. | Deposit date: | 2000-10-10 | Release date: | 2001-10-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Potentiating Azt Activation: Structures of Wildtype and Mutant Human Thymidylate Kinase Suggest Reasons for the Mutants' Improved Kinetics with the HIV Prodrug Metabolite Aztmp J.Mol.Biol., 304, 2000
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1E98
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![BU of 1e98 by Molmil](/molmil-images/mine/1e98) | Wild type human thymidylate kinase complexed with AZTMP and ADP | Descriptor: | 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ostermann, N, Lavie, A, Padiyar, S, Brundiers, R, Veit, T, Reintein, J, Goody, R.S, Konrad, M, Schlichting, I. | Deposit date: | 2000-10-10 | Release date: | 2001-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Potentiating Azt Activation: Structures of Wildtype and Mutant Human Thymidylate Kinase Suggest Reasons for the Mutants' Improved Kinetics with the HIV Prodrug Metabolite Aztmp J.Mol.Biol., 304, 2000
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1E9F
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![BU of 1e9f by Molmil](/molmil-images/mine/1e9f) | Mutant human thymidylate kinase complexed with TMP and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ... | Authors: | Ostermann, N, Lavie, A, Padiyar, S, Brundiers, R, Veit, T, Reinstein, J, Goody, R.S, Konrad, M, Schlichting, I. | Deposit date: | 2000-10-11 | Release date: | 2001-10-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Potentiating Azt Activation: Structures of Wildtype and Mutant Human Thymidylate Kinase Suggest Reasons for the Mutants' Improved Kinetics with the HIV Prodrug Metabolite Aztmp J.Mol.Biol., 304, 2000
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1E9C
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![BU of 1e9c by Molmil](/molmil-images/mine/1e9c) | Mutant human thymidylate kinase complexed with TMP and APPNP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Ostermann, N, Lavie, A, Padiyar, S, Brundiers, R, Veit, T, Reintein, J, Goody, R.S, Konrad, M, Schlichting, I. | Deposit date: | 2000-10-10 | Release date: | 2001-10-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Potentiating Azt Activation: Structures of Wildtype and Mutant Human Thymidylate Kinase Suggest Reasons for the Mutants' Improved Kinetics with the HIV Prodrug Metabolite Aztmp J.Mol.Biol., 304, 2000
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1E9A
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![BU of 1e9a by Molmil](/molmil-images/mine/1e9a) | Human thymidylate kinase complexed with the bisubstrate inhibitor AZTP5A | Descriptor: | MAGNESIUM ION, P1-(5'-ADENOSYL)P5-(5'-(3'AZIDO-3'-DEOXYTHYMIDYL))PENTAPHOSPHATE, THYMIDYLATE KINASE | Authors: | Ostermann, N, Lavie, A, Padiyar, S, Brundiers, R, Veit, T, Reintein, J, Goody, R.S, Konrad, M, Schlichting, I. | Deposit date: | 2000-10-10 | Release date: | 2001-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Potentiating Azt Activation: Structures of Wildtype and Mutant Human Thymidylate Kinase Suggest Reasons for the Mutants' Improved Kinetics with the HIV Prodrug Metabolite Aztmp J.Mol.Biol., 304, 2000
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1E9B
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![BU of 1e9b by Molmil](/molmil-images/mine/1e9b) | Human thymidylate kinase complexed with AZTMP and APPNP | Descriptor: | 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ostermann, N, Lavie, A, Padiyar, S, Brundiers, R, Veit, T, Reintein, J, Goody, R.S, Konrad, M, Schlichting, I. | Deposit date: | 2000-10-10 | Release date: | 2001-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Potentiating Azt Activation: Structures of Wildtype and Mutant Human Thymidylate Kinase Suggest Reasons for the Mutants' Improved Kinetics with the HIV Prodrug Metabolite Aztmp J.Mol.Biol., 304, 2000
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1NN5
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![BU of 1nn5 by Molmil](/molmil-images/mine/1nn5) | Crystal structure of human thymidylate kinase with d4TMP + AppNHp | Descriptor: | 3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A. | Deposit date: | 2003-01-12 | Release date: | 2003-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structures of human thymidylate kinase in complex with prodrugs:
implications for the structure-based design of novel compounds Biochemistry, 42, 2003
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1NN0
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![BU of 1nn0 by Molmil](/molmil-images/mine/1nn0) | Crystal structure of human thymidylate kinase with ddTMP and ADP | Descriptor: | 3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A. | Deposit date: | 2003-01-12 | Release date: | 2003-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of human thymidylate kinase in complex with prodrugs:
implications for the structure-based design of novel compounds Biochemistry, 42, 2003
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1NMY
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![BU of 1nmy by Molmil](/molmil-images/mine/1nmy) | Crystal structure of human thymidylate kinase with FLTMP and AppNHp | Descriptor: | 3'-FLUORO-3'-DEOXYTHYMIDINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A. | Deposit date: | 2003-01-12 | Release date: | 2003-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of human thymidylate kinase in complex with prodrugs:
implications for the structure-based design of novel compounds Biochemistry, 42, 2003
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1NMZ
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![BU of 1nmz by Molmil](/molmil-images/mine/1nmz) | Crystal structure of human thymidylate kinase with NH2TMP and AppNHp | Descriptor: | 3'-DEOXY-3'-AMINOTHYMIDINE MONOPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A. | Deposit date: | 2003-01-12 | Release date: | 2003-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structures of human thymidylate kinase in complex with prodrugs:
implications for the structure-based design of novel compounds Biochemistry, 42, 2003
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1NMX
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![BU of 1nmx by Molmil](/molmil-images/mine/1nmx) | Crystal structure of human thymidylate kinase with FLTMP and ADP | Descriptor: | 3'-FLUORO-3'-DEOXYTHYMIDINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A. | Deposit date: | 2003-01-12 | Release date: | 2003-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of human thymidylate kinase in complex with prodrugs:
implications for the structure-based design of novel compounds Biochemistry, 42, 2003
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1NN1
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![BU of 1nn1 by Molmil](/molmil-images/mine/1nn1) | Crystal structure of human thymidylate kinase with ddTMP and AppNHp | Descriptor: | 3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A. | Deposit date: | 2003-01-12 | Release date: | 2003-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of human thymidylate kinase in complex with prodrugs:
implications for the structure-based design of novel compounds Biochemistry, 42, 2003
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1NN3
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![BU of 1nn3 by Molmil](/molmil-images/mine/1nn3) | Crystal structure of human thymidylate kinase with d4TMP + ADP | Descriptor: | 3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A. | Deposit date: | 2003-01-12 | Release date: | 2003-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structures of human thymidylate kinase in complex with prodrugs:
implications for the structure-based design of novel compounds Biochemistry, 42, 2003
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2EWY
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![BU of 2ewy by Molmil](/molmil-images/mine/2ewy) | |
1E2D
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![BU of 1e2d by Molmil](/molmil-images/mine/1e2d) | Human thymidylate kinase complexed with thymidine monophosphate, adenosine diphosphate and a magnesium-ion | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ... | Authors: | Ostermann, N, Schlichting, I, Brundiers, R, Konrad, M, Reinstein, J, Veit, T, Goody, R.S, Lavie, A. | Deposit date: | 2000-05-22 | Release date: | 2001-05-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Insights Into the Phosphoryltransfer Mechanism of Human Thymidylate Kinase Gained from Crystal Structures of Enzyme Complexes Along the Reaction Coordinate Structure, 8, 2000
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1E2G
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![BU of 1e2g by Molmil](/molmil-images/mine/1e2g) | Human thymidylate kinase complexed with ADP, TDP and a magnesium-ion | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, THYMIDINE-5'-DIPHOSPHATE, ... | Authors: | Ostermann, N, Schlichting, I, Brundiers, R, Konrad, M, Reinstein, J, Veit, T, Goody, R.S, Lavie, A. | Deposit date: | 2000-05-22 | Release date: | 2001-05-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Insights Into the Phosphoryltransfer Mechanism of Human Thymidylate Kinase Gained from Crystal Structures of Enzyme Complexes Along the Reaction Coordinate Structure, 8, 2000
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1E2F
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![BU of 1e2f by Molmil](/molmil-images/mine/1e2f) | Human thymidylate kinase complexed with thymidine monophosphate, adenosine diphosphate and a magnesium-ion | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Ostermann, N, Schlichting, I, Brundiers, R, Konrad, M, Reinstein, J, Veit, T, Goody, R.S, Lavie, A. | Deposit date: | 2000-05-22 | Release date: | 2001-05-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Insights Into the Phosphoryltransfer Mechanism of Human Thymidylate Kinase Gained from Crystal Structures of Enzyme Complexes Along the Reaction Coordinate Structure, 8, 2000
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1E2E
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![BU of 1e2e by Molmil](/molmil-images/mine/1e2e) | Human thymidylate kinase complexed with thymidine monophosphate, adenosine diphosphate,a magnesium-ion and ALf3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | Authors: | Ostermann, N, Schlichting, I, Brundiers, R, Konrad, M, Reinstein, J, Veit, T, Goody, R.S, Lavie, A. | Deposit date: | 2000-05-22 | Release date: | 2001-05-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights Into the Phosphoryltransfer Mechanism of Human Thymidylate Kinase Gained from Crystal Structures of Enzyme Complexes Along the Reaction Coordinate Structure, 8, 2000
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1E2Q
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![BU of 1e2q by Molmil](/molmil-images/mine/1e2q) | Human thymidylate kinase complexed with TP5A and a magnesium-ion | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ... | Authors: | Ostermann, N, Schlichting, I, Brundiers, R, Konrad, M, Reinstein, J, Veit, T, Goody, R.S, Lavie, A. | Deposit date: | 2000-05-23 | Release date: | 2001-05-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Insights Into the Phosphoryltransfer Mechanism of Human Thymidylate Kinase Gained from Crystal Structures of Enzyme Complexes Along the Reaction Coordinate Structure, 8, 2000
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4GJB
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![BU of 4gjb by Molmil](/molmil-images/mine/4gjb) | Crystal structure of renin in complex with NVP-BBV031 (compound 6) | Descriptor: | (3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ... | Authors: | Ostermann, N, Zink, F, Kroemer, M. | Deposit date: | 2012-08-09 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | 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
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![BU of 4gja by Molmil](/molmil-images/mine/4gja) | Crystal structure of renin in complex with NVP-AYL747 (compound 5) | Descriptor: | (3S,5R)-N-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ... | Authors: | Ostermann, N, Zink, F, Kroemer, M. | Deposit date: | 2012-08-09 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 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
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![BU of 4gjc by Molmil](/molmil-images/mine/4gjc) | Crystal structure of renin in complex with NVP-BCH965 (compound 9) | Descriptor: | (3S,5R)-5-{[(4-methylphenyl)sulfonyl]amino}-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ... | Authors: | Ostermann, N, Zink, F, Kroemer, M. | Deposit date: | 2012-08-09 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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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