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2EWY
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BU of 2ewy by Molmil
Crystal structure of human BACE2 in complex with a hydroxyethylenamine transition-state inhibitor
Descriptor: Beta-secretase 2, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-10-CARBOXAMIDE
Authors:Ostermann, N.
Deposit date:2005-11-07
Release date:2006-11-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of human BACE2 in complex with a hydroxyethylamine transition state inhibitor
J.Mol.Biol., 355, 2006
1E9A
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BU of 1e9a by Molmil
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:2019-07-24
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
1E9C
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BU of 1e9c by Molmil
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:2019-03-06
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
1E9E
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BU of 1e9e by Molmil
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:2019-03-06
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
1E99
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BU of 1e99 by Molmil
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:2019-03-06
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
1E9D
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BU of 1e9d by Molmil
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:2019-05-08
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
1E9F
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BU of 1e9f by Molmil
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:2019-07-24
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
1E98
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BU of 1e98 by Molmil
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:2019-03-06
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
1E9B
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BU of 1e9b by Molmil
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:2019-07-24
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
1TZS
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BU of 1tzs by Molmil
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
1NN5
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BU of 1nn5 by Molmil
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
1NN0
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BU of 1nn0 by Molmil
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
1NMZ
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BU of 1nmz by Molmil
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
1NMY
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BU of 1nmy by Molmil
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
1NN3
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BU of 1nn3 by Molmil
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
1NMX
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BU of 1nmx by Molmil
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
1NN1
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BU of 1nn1 by Molmil
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
1E2F
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BU of 1e2f by Molmil
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:2019-07-24
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
1E2Q
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BU of 1e2q by Molmil
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:2019-07-24
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
1E2E
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BU of 1e2e by Molmil
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:2019-03-06
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
1E2G
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BU of 1e2g by Molmil
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:2019-03-06
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
1E2D
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BU of 1e2d by Molmil
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
4GJB
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BU of 4gjb by Molmil
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
4GJ9
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BU of 4gj9 by Molmil
Crystal structure of renin in complex with GP055321 (compound 4)
Descriptor: (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
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
4GJA
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BU of 4gja by Molmil
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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