1EAU
 
 | | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 6. DESIGN OF A POTENT, INTRATRACHEALLY ACTIVE, PYRIDONE-BASED TRIFLUOROMETHYL KETONE | | Descriptor: | 2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-DIHYDROPYRIMIDIN-1-YL)-N-[3,3-DIFLUORO -1-ISOPROPYL-2-OXO-3-(N-(2-MORPHOLINO ETHYL)CARBAMOYL]PROPYL]ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | | Authors: | Ceccarelli, C. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 6. Design of a potent, intratracheally active, pyridone-based trifluoromethyl ketone.
J.Med.Chem., 38, 1995
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1EAT
 | | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 5. DESIGN, SYNTHESIS, AND X-RAY CRYSTALLOGRAPHY OF A SERIES OF ORALLY ACTIVE 5-AMINO-PYRIMIDIN-6-ONE-CONTAINING TRIFLUOROMETHYLKETONES | | Descriptor: | 2-[5-METHANESULFONYLAMINO-2-(4-AMINOPHENYL)-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | | Authors: | Ceccarelli, C. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 5. Design, synthesis, and X-ray crystallography of a series of orally active 5-aminopyrimidin-6-one-containing trifluoromethyl ketones.
J.Med.Chem., 38, 1995
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6EST
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1EAS
 | | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 3. DESIGN, SYNTHESIS, X-RAY CRYSTALLOGRAPHIC ANALYSIS, AND STRUCTURE-ACTIVITY RELATIONSHIPS FOR A SERIES OF ORALLY ACTIVE 3-AMINO-6-PHENYLPYRIDIN-2-ONE TRIFLUOROMETHYL KETONES | | Descriptor: | 3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | | Authors: | Ceccarelli, C. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 3. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of orally active 3-amino-6-phenylpyridin-2-one trifluoromethyl ketones.
J.Med.Chem., 37, 1994
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6TU9
 | | The ROR1 Pseudokinase Domain Bound To Ponatinib | | Descriptor: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Inactive tyrosine-protein kinase transmembrane receptor ROR1 | | Authors: | Mathea, S, Preuss, F, Chatterjee, D, Niininen, W, Ungureanu, D, Shin, D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | | Deposit date: | 2020-01-04 | | Release date: | 2020-01-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural Insights into Pseudokinase Domains of Receptor Tyrosine Kinases.
Mol.Cell, 79, 2020
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6TUA
 | | The RYK Pseudokinase Domain | | Descriptor: | SULFATE ION, Tyrosine-protein kinase RYK | | Authors: | Mathea, S, Chatterjee, D, Preuss, F, Shin, D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | | Deposit date: | 2020-01-04 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structural Insights into Pseudokinase Domains of Receptor Tyrosine Kinases.
Mol.Cell, 79, 2020
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1ELB
 | | Analogous inhibitors of elastase do not always bind analogously | | Descriptor: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-leucinamide, CALCIUM ION, ELASTASE, ... | | Authors: | Mattos, C, Rasmussen, B, Ding, X, Petsko, G.A, Ringe, D. | | Deposit date: | 1993-12-07 | | Release date: | 1994-06-22 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Analogous inhibitors of elastase do not always bind analogously.
Nat.Struct.Biol., 1, 1994
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1ELE
 | | STRUCTURAL ANALYSIS OF THE ACTIVE SITE OF PORCINE PANCREATIC ELASTASE BASED ON THE X-RAY CRYSTAL STRUCTURES OF COMPLEXES WITH TRIFLUOROACETYL-DIPEPTIDE-ANILIDE INHIBITORS | | Descriptor: | CALCIUM ION, ELASTASE, N-(trifluoroacetyl)-L-valyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamide, ... | | Authors: | Mattos, C, Petsko, G.A, Ringe, D. | | Deposit date: | 1994-10-24 | | Release date: | 1995-02-14 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural analysis of the active site of porcine pancreatic elastase based on the X-ray crystal structures of complexes with trifluoroacetyl-dipeptide-anilide inhibitors.
Biochemistry, 34, 1995
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6VG3
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6SBA
 | | Crystal Structure of mTEAD with a VGL4 Tertiary Structure Mimetic | | Descriptor: | ACETYL GROUP, GLYCEROL, Transcriptional enhancer factor TEF-3, ... | | Authors: | Adihou, H, Grossmann, T.N, Waldmann, H, Gasper, R. | | Deposit date: | 2019-07-19 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A protein tertiary structure mimetic modulator of the Hippo signalling pathway.
Nat Commun, 11, 2020
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1BMA
 | | BENZYL METHYL AMINIMIDE INHIBITOR COMPLEXED TO PORCINE PANCREATIC ELASTASE | | Descriptor: | (1R)-1-benzyl-1-methyl-1-(2-{[4-(1-methylethyl)phenyl]amino}-2-oxoethyl)-2-{(2S)-4-methyl-2-[(trifluoroacetyl)amino]pentanoyl}diazanium, CALCIUM ION, Chymotrypsin-like elastase family member 1, ... | | Authors: | Peisach, E, Casebier, D, Gallion, S.L, Furth, P, Petsko, G.A, Hogan Jr, J.C, Ringe, D. | | Deposit date: | 1995-05-01 | | Release date: | 1995-12-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Interaction of a peptidomimetic aminimide inhibitor with elastase.
Science, 269, 1995
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6MVL
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1ELC
 | | Analogous inhibitors of elastase do not always bind analogously | | Descriptor: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-phenylalaninamide, CALCIUM ION, ELASTASE | | Authors: | Mattos, C, Rasmussen, B, Ding, X, Petsko, G.A, Ringe, D. | | Deposit date: | 1993-12-07 | | Release date: | 1994-04-30 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Analogous inhibitors of elastase do not always bind analogously.
Nat.Struct.Biol., 1, 1994
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1ELA
 | | Analogous inhibitors of elastase do not always bind analogously | | Descriptor: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-prolinamide, ACETIC ACID, CALCIUM ION, ... | | Authors: | Mattos, C, Rasmussen, B, Ding, X, Petsko, G.A, Ringe, D. | | Deposit date: | 1993-12-07 | | Release date: | 1994-04-30 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Analogous inhibitors of elastase do not always bind analogously.
Nat.Struct.Biol., 1, 1994
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1ELD
 | | Structural analysis of the active site of porcine pancreatic elastase based on the x-ray crystal structures of complexes with trifluoroacetyl-dipeptide-anilide inhibitors | | Descriptor: | ACETIC ACID, CALCIUM ION, ELASTASE, ... | | Authors: | Mattos, C, Petsko, G.A, Ringe, D. | | Deposit date: | 1994-10-24 | | Release date: | 1995-02-14 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural analysis of the active site of porcine pancreatic elastase based on the X-ray crystal structures of complexes with trifluoroacetyl-dipeptide-anilide inhibitors.
Biochemistry, 34, 1995
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1LVY
 | | PORCINE ELASTASE | | Descriptor: | CALCIUM ION, ELASTASE, SULFATE ION | | Authors: | Schiltz, M, Prange, T. | | Deposit date: | 1996-07-20 | | Release date: | 1997-01-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | High-pressure krypton gas and statistical heavy-atom refinement: a successful combination of tools for macromolecular structure determination.
Acta Crystallogr.,Sect.D, 53, 1997
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4OS7
 | | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK607 (bicyclic) | | Descriptor: | ACETATE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Chen, S, Pojer, F, Heinis, C. | | Deposit date: | 2014-02-12 | | Release date: | 2014-09-24 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
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4OS5
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1HAZ
 | | Snapshots of serine protease catalysis: (C) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 9 for 1 minute | | Descriptor: | BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE 1, ... | | Authors: | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | | Deposit date: | 2001-04-10 | | Release date: | 2001-08-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
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4OS1
 | | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK601 (bicyclic 1) | | Descriptor: | ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ... | | Authors: | Chen, S, Pojer, F, Heinis, C. | | Deposit date: | 2014-02-12 | | Release date: | 2014-09-24 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
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1HB0
 | | Snapshots of serine protease catalysis: (D) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 10 for 2 minutes | | Descriptor: | CALCIUM ION, ELASTASE 1, SULFATE ION | | Authors: | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | | Deposit date: | 2001-04-10 | | Release date: | 2001-08-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
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1HAY
 | | Snapshots of serine protease catalysis: (B) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 10 for 10 seconds | | Descriptor: | CALCIUM ION, ELASTASE 1, SULFATE ION | | Authors: | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | | Deposit date: | 2001-04-10 | | Release date: | 2001-08-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
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4OS2
 | | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK602 (bicyclic 1) | | Descriptor: | ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ... | | Authors: | Chen, S, Pojer, F, Heinis, C. | | Deposit date: | 2014-02-12 | | Release date: | 2014-09-24 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
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1HAX
 | | Snapshots of serine protease catalysis: (A) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 at pH 5 | | Descriptor: | BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE 1, ... | | Authors: | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | | Deposit date: | 2001-04-10 | | Release date: | 2001-08-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
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4OS6
 | | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK604 (bicyclic 2) | | Descriptor: | ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ... | | Authors: | Chen, S, Pojer, F, Heinis, C. | | Deposit date: | 2014-02-12 | | Release date: | 2014-09-24 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
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