2JDW
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1VEB
| Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 5 | Descriptor: | (3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-3-YL}-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-03-29 | Release date: | 2005-03-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors J.Med.Chem., 47, 2004
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1WXI
| E.coli NAD Synthetase, AMP.PP | Descriptor: | ADENOSINE MONOPHOSPHATE, DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Jauch, R, Humm, A, Huber, R, Wahl, M.C. | Deposit date: | 2005-01-23 | Release date: | 2005-02-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of Escherichia coli NAD Synthetase with Substrates and Products Reveal Mechanistic Rearrangements J.Biol.Chem., 280, 2005
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1WXG
| E.coli NAD Synthetase, DND | Descriptor: | MAGNESIUM ION, NH(3)-dependent NAD(+) synthetase, NICOTINIC ACID ADENINE DINUCLEOTIDE | Authors: | Jauch, R, Humm, A, Huber, R, Wahl, M.C. | Deposit date: | 2005-01-23 | Release date: | 2005-02-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of Escherichia coli NAD Synthetase with Substrates and Products Reveal Mechanistic Rearrangements J.Biol.Chem., 280, 2005
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1WXH
| E.coli NAD Synthetase, NAD | Descriptor: | NH(3)-dependent NAD(+) synthetase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Jauch, R, Humm, A, Huber, R, Wahl, M.C. | Deposit date: | 2005-01-23 | Release date: | 2005-02-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of Escherichia coli NAD Synthetase with Substrates and Products Reveal Mechanistic Rearrangements J.Biol.Chem., 280, 2005
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1WXE
| E.coli NAD Synthetase, AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, NH(3)-dependent NAD(+) synthetase | Authors: | Jauch, R, Humm, A, Huber, R, Wahl, M.C. | Deposit date: | 2005-01-23 | Release date: | 2005-02-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of Escherichia coli NAD Synthetase with Substrates and Products Reveal Mechanistic Rearrangements J.Biol.Chem., 280, 2005
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1WXF
| E.coli NAD Synthetase | Descriptor: | NH(3)-dependent NAD(+) synthetase | Authors: | Jauch, R, Humm, A, Huber, R, Wahl, M.C. | Deposit date: | 2005-01-23 | Release date: | 2005-02-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of Escherichia coli NAD Synthetase with Substrates and Products Reveal Mechanistic Rearrangements J.Biol.Chem., 280, 2005
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1OAA
| MOUSE SEPIAPTERIN REDUCTASE COMPLEXED WITH NADP AND OXALOACETATE | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXALOACETATE ION, SEPIAPTERIN REDUCTASE, ... | Authors: | Auerbach, G, Herrmann, A, Bacher, A, Huber, R. | Deposit date: | 1997-08-25 | Release date: | 1999-02-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters. EMBO J., 16, 1997
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1Z1W
| Crystal structures of the tricorn interacting facor F3 from Thermoplasma acidophilum, a zinc aminopeptidase in three different conformations | Descriptor: | SULFATE ION, Tricorn protease interacting factor F3, ZINC ION | Authors: | Kyrieleis, O.J.P, Goettig, P, Kiefersauer, R, Huber, R, Brandstetter, H. | Deposit date: | 2005-03-07 | Release date: | 2005-05-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structures of the Tricorn Interacting Factor F3 from Thermoplasma acidophilum, a Zinc Aminopeptidase in Three Different Conformations J.MOL.BIOL., 394, 2005
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1Z5H
| Crystal structures of the Tricorn interacting Factor F3 from Thermoplasma acidophilum | Descriptor: | SULFATE ION, Tricorn protease interacting factor F3, ZINC ION | Authors: | Kyrieleis, O.J.P, Goettig, P, Kiefersauer, R, Huber, R, Brandstetter, H. | Deposit date: | 2005-03-18 | Release date: | 2005-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of the Tricorn Interacting Factor F3 from Thermoplasma acidophilum, a Zinc Aminopeptidase in Three Different Conformations J.MOL.BIOL., 349, 2005
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1TGT
| ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY | Descriptor: | CALCIUM ION, METHANOL, TRYPSINOGEN | Authors: | Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R. | Deposit date: | 1981-10-26 | Release date: | 1982-03-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography Acta Crystallogr.,Sect.B, 38, 1982
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1TFX
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1TGC
| ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY | Descriptor: | CALCIUM ION, TRYPSINOGEN | Authors: | Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R. | Deposit date: | 1981-10-26 | Release date: | 1982-03-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography Acta Crystallogr.,Sect.B, 38, 1982
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1XH8
| Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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1XHA
| Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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1XH6
| Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-3-YL)ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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1XH7
| Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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3MH5
| HtrA proteases are activated by a conserved mechanism that can be triggered by distinct molecular cues | Descriptor: | DIISOPROPYL PHOSPHONATE, Protease do | Authors: | Krojer, T, Sawa, J, Huber, R, Clausen, T. | Deposit date: | 2010-04-07 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | HtrA proteases have a conserved activation mechanism that can be triggered by distinct molecular cues Nat.Struct.Mol.Biol., 17, 2010
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1XH9
| Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | (R,R)-2,3-BUTANEDIOL, N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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1XH5
| Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | (R,R)-2,3-BUTANEDIOL, N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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1XH4
| Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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3NZW
| Crystal structure of the yeast 20S proteasome in complex with 2b | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proteasome component C1, Proteasome component C11, ... | Authors: | Groll, M, Gallastegui, N, Marechal, X, Le Ravalec, V, Basse, N, Richy, N, Genin, E, Huber, R, Moroder, M, Vidal, V, Reboud-Ravaux, M. | Deposit date: | 2010-07-17 | Release date: | 2011-02-16 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 20S proteasome inhibition: designing noncovalent linear peptide mimics of the natural product TMC-95A. Chemmedchem, 5, 2010
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3RGF
| Crystal Structure of human CDK8/CycC | Descriptor: | 1,2-ETHANEDIOL, 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Cyclin-C, ... | Authors: | Schneider, E.V, Boettcher, J, Blaesse, M, Huber, R, Maskos, K. | Deposit date: | 2011-04-08 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Structure of CDK8/CycC Implicates Specificity in the CDK/Cyclin Family and Reveals Interaction with a Deep Pocket Binder. J.Mol.Biol., 412, 2011
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3NZJ
| Crystal structure of yeast 20S proteasome in complex with ligand 2a | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proteasome component C1, Proteasome component C11, ... | Authors: | Groll, M, Gallastegui, N, Marechal, X, Le Ravalec, V, Basse, N, Richy, N, Genin, E, Huber, R, Moroder, M, Vidal, V, Reboud-Ravaux, M. | Deposit date: | 2010-07-16 | Release date: | 2011-02-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 20S proteasome inhibition: designing noncovalent linear peptide mimics of the natural product TMC-95A. Chemmedchem, 5, 2010
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3NZX
| Crystal structure of the yeast 20S proteasome in complex with ligand 2c | Descriptor: | Proteasome component C1, Proteasome component C11, Proteasome component C5, ... | Authors: | Groll, M, Gallastegui, N, Marechal, X, Le Ravalec, V, Basse, N, Richy, N, Genin, E, Huber, R, Moroder, M, Vidal, V, Reboud-Ravaux, M. | Deposit date: | 2010-07-17 | Release date: | 2011-02-16 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 20S proteasome inhibition: designing noncovalent linear peptide mimics of the natural product TMC-95A. Chemmedchem, 5, 2010
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