2H6S
| Secreted aspartic proteinase (Sap) 3 from Candida albicans | Descriptor: | Candidapepsin-3, ZINC ION | Authors: | Ruge, E, Borelli, C, Maskos, K, Huber, R. | Deposit date: | 2006-06-01 | Release date: | 2007-06-12 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of the secreted aspartic proteinase 3 from Candida albicans and its complex with pepstatin A. Proteins, 68, 2007
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1JJ9
| Crystal Structure of MMP8-Barbiturate Complex Reveals Mechanism for Collagen Substrate Recognition | Descriptor: | 2-HYDROXY-5-[4-(2-HYDROXY-ETHYL)-PIPERIDIN-1-YL]-5-PHENYL-1H-PYRIMIDINE-4,6-DIONE, CALCIUM ION, Matrix Metalloproteinase 8, ... | Authors: | Brandstetter, H, Grams, F, Glitz, D, Lang, A, Huber, R, Bode, W, Krell, H.-W, Engh, R.A. | Deposit date: | 2001-07-04 | Release date: | 2001-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The 1.8-A crystal structure of a matrix metalloproteinase 8-barbiturate inhibitor complex reveals a previously unobserved mechanism for collagenase substrate recognition. J.Biol.Chem., 276, 2001
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1PVW
| 3,4-dihydroxy-2-butanone 4-phosphate synthase from M. jannaschii | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, CALCIUM ION, PHOSPHATE ION, ... | Authors: | Steinbacher, S, Schiffmann, S, Richter, G, Huber, R, Bacher, A, Fischer, M. | Deposit date: | 2003-06-29 | Release date: | 2003-11-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of 3,4-Dihydroxy-2-butanone 4-Phosphate Synthase from Methanococcus jannaschii in
Complex with Divalent Metal Ions and the Substrate Ribulose 5-Phosphate: IMPLICATIONS FOR THE
CATALYTIC MECHANISM J.Biol.Chem., 278, 2003
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1PVY
| 3,4-dihydroxy-2-butanone 4-phosphate synthase from M. jannaschii in complex with ribulose 5-phosphate | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, CALCIUM ION, RIBULOSE-5-PHOSPHATE, ... | Authors: | Steinbacher, S, Schiffmann, S, Richter, G, Huber, R, Bacher, A, Fischer, M. | Deposit date: | 2003-06-29 | Release date: | 2003-11-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of 3,4-Dihydroxy-2-butanone 4-Phosphate Synthase from Methanococcus jannaschii in
Complex with Divalent Metal Ions and the Substrate Ribulose 5-Phosphate: IMPLICATIONS FOR THE
CATALYTIC MECHANISM J.Biol.Chem., 278, 2003
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1SZM
| DUAL BINDING MODE OF BISINDOLYLMALEIMIDE 2 TO PROTEIN KINASE A (PKA) | Descriptor: | 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE, cAMP-dependent protein kinase, alpha-catalytic subunit | Authors: | Gassel, M, Breitenlechner, C.B, Koenig, N, Huber, R, Engh, R.A, Bossemeyer, D. | Deposit date: | 2004-04-06 | Release date: | 2004-06-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The protein kinase C inhibitor bisindolyl maleimide 2 binds with reversed orientations to different conformations of protein kinase a. J.Biol.Chem., 279, 2004
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3FJU
| Ascaris suum carboxypeptidase inhibitor in complex with human carboxypeptidase A1 | Descriptor: | ACETATE ION, CACODYLATE ION, Carboxypeptidase A inhibitor, ... | Authors: | Sanglas, L, Aviles, F.X, Huber, R, Gomis-Ruth, F.X, Arolas, J.L. | Deposit date: | 2008-12-15 | Release date: | 2008-12-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mammalian metallopeptidase inhibition at the defense barrier of Ascaris parasite Proc.Natl.Acad.Sci.USA, 106, 2009
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3HGT
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3HGQ
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1UVT
| BOVINE THROMBIN--BM14.1248 COMPLEX | Descriptor: | N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE, THROMBIN | Authors: | Engh, R.A, Huber, R. | Deposit date: | 1996-10-16 | Release date: | 1997-11-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design. Structure, 4, 1996
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1UVS
| BOVINE THROMBIN--BM51.1011 COMPLEX | Descriptor: | THROMBIN, [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE | Authors: | Engh, R.A, Huber, R. | Deposit date: | 1996-10-16 | Release date: | 1997-11-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design. Structure, 4, 1996
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1UVU
| BOVINE THROMBIN--BM12.1700 COMPLEX | Descriptor: | 3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER, THROMBIN | Authors: | Engh, R.A, Huber, R. | Deposit date: | 1996-10-16 | Release date: | 1997-11-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design. Structure, 4, 1996
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2AZU
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2B99
| Crystal Structure of an archaeal pentameric riboflavin synthase Complex with a Substrate analog inhibitor | Descriptor: | 6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE, Riboflavin synthase | Authors: | Ramsperger, A, Augustin, M, Schott, A.K, Gerhardt, S, Krojer, T, Eisenreich, W, Illarionov, B, Cushman, M, Bacher, A, Huber, R, Fischer, M. | Deposit date: | 2005-10-11 | Release date: | 2005-11-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal Structure of an Archaeal Pentameric Riboflavin Synthase in Complex with a Substrate Analog Inhibitor: stereochemical implications J.Biol.Chem., 281, 2006
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2AZN
| X-RAY Structure of 2,5-diamino-6-ribosylamino-4(3h)-pyrimidinone 5-phosphate reductase | Descriptor: | 2-(6-(2-CYCLOHEXYLETHOXY)-TETRAHYDRO-4,5-DIHYDROXY-2(HYDROXYMETHYL)-2H-PYRAN-3-YLOXY)-TETRAHYDRO-6(HYDROXYMETHYL)-2H-PYRAN-3,4,5-TRIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Chatwell, L, Bacher, A, Huber, R, Fischer, M, Krojer, T. | Deposit date: | 2005-09-12 | Release date: | 2006-08-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Biosynthesis of riboflavin: structure and properties of 2,5-diamino-6-ribosylamino-4(3H)-pyrimidinone 5'-phosphate reductase of Methanocaldococcus jannaschii J.Mol.Biol., 359, 2006
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2B98
| Crystal Structure of an archaeal pentameric riboflavin synthase | Descriptor: | Riboflavin synthase | Authors: | Ramsperger, A, Augustin, M, Schott, A.K, Gerhardt, S, Krojer, T, Eisenreich, W, Illarionov, B, Cushman, M, Bacher, A, Huber, R, Fischer, M. | Deposit date: | 2005-10-11 | Release date: | 2005-11-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of an Archaeal Pentameric Riboflavin Synthase in Complex with a Substrate Analog Inhibitor: stereochemical implications J.Biol.Chem., 281, 2006
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2C1L
| Structure of the BfiI restriction endonuclease | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICARBONATE ION, ... | Authors: | Grazulis, S, Manakova, E, Roessle, M, Bochtler, M, Tamulaitiene, G, Huber, R, Siksnys, V. | Deposit date: | 2005-09-15 | Release date: | 2005-10-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the Metal-Independent Restriction Enzyme Bfii Reveals Fusion of a Specific DNA-Binding Domain with a Nonspecific Nuclease. Proc.Natl.Acad.Sci.USA, 102, 2005
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1PYT
| TERNARY COMPLEX OF PROCARBOXYPEPTIDASE A, PROPROTEINASE E, AND CHYMOTRYPSINOGEN C | Descriptor: | CALCIUM ION, CHYMOTRYPSINOGEN C, PROCARBOXYPEPTIDASE A, ... | Authors: | Gomis-Ruth, F.X, Gomez, M, Bode, W, Huber, R, Aviles, F.X. | Deposit date: | 1995-06-21 | Release date: | 1997-01-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The three-dimensional structure of the native ternary complex of bovine pancreatic procarboxypeptidase A with proproteinase E and chymotrypsinogen C. EMBO J., 14, 1995
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1Q61
| PKA triple mutant model of PKB | Descriptor: | N-OCTANOYL-N-METHYLGLUCAMINE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A. | Deposit date: | 2003-08-12 | Release date: | 2003-09-30 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT) J.Mol.Biol., 329, 2003
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1Q62
| PKA double mutant model of PKB | Descriptor: | cAMP-dependent protein kinase inhibitor, alpha form, cAMP-dependent protein kinase, ... | Authors: | Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A. | Deposit date: | 2003-08-12 | Release date: | 2003-09-30 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT) J.Mol.Biol., 329, 2003
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1Q24
| PKA double mutant model of PKB in complex with MgATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent Protein Kinase Inhibitor, ... | Authors: | Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A. | Deposit date: | 2003-07-23 | Release date: | 2003-08-19 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT) J.Mol.Biol., 329, 2003
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1PCA
| THREE DIMENSIONAL STRUCTURE OF PORCINE PANCREATIC PROCARBOXYPEPTIDASE A. A COMPARISON OF THE A AND B ZYMOGENS AND THEIR DETERMINANTS FOR INHIBITION AND ACTIVATION | Descriptor: | CITRIC ACID, PROCARBOXYPEPTIDASE A PCPA, VALINE, ... | Authors: | Guasch, A, Coll, M, Aviles, F.X, Huber, R. | Deposit date: | 1991-10-28 | Release date: | 1993-10-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Three-dimensional structure of porcine pancreatic procarboxypeptidase A. A comparison of the A and B zymogens and their determinants for inhibition and activation. J.Mol.Biol., 224, 1992
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1XRP
| Crystal structure of active site F1-mutant E213Q soaked with peptide Pro-Leu-Gly-Gly | Descriptor: | PLGG, PROLINE, Proline iminopeptidase | Authors: | Goettig, P, Brandstetter, H, Groll, M, Goehring, W, Konarev, P.V, Svergun, D.I, Huber, R, Kim, J.-S. | Deposit date: | 2004-10-15 | Release date: | 2005-07-12 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray snapshots of peptide processing in mutants of tricorn-interacting factor F1 from Thermoplasma acidophilum J.Biol.Chem., 280, 2005
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1XQY
| Crystal structure of F1-mutant S105A complex with PRO-LEU-GLY-GLY | Descriptor: | PLGG, PROLINE, Proline iminopeptidase | Authors: | Goettig, P, Brandstetter, H, Groll, M, Goehring, W, Konarev, P.V, Svergun, D.I, Huber, R, Kim, J.-S. | Deposit date: | 2004-10-13 | Release date: | 2005-07-12 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | X-ray snapshots of peptide processing in mutants of tricorn-interacting factor F1 from Thermoplasma acidophilum J.Biol.Chem., 280, 2005
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1XQX
| Crystal structure of F1-mutant S105A complex with PCK | Descriptor: | PHENYLALANYLMETHYLCHLORIDE, Proline iminopeptidase | Authors: | Goettig, P, Brandstetter, H, Groll, M, Goehring, W, Konarev, P.V, Svergun, D.I, Huber, R, Kim, J.-S. | Deposit date: | 2004-10-13 | Release date: | 2005-07-12 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-ray snapshots of peptide processing in mutants of tricorn-interacting factor F1 from Thermoplasma acidophilum J.Biol.Chem., 280, 2005
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1XRM
| Crystal structure of active site F1-mutant E213Q soaked with peptide Ala-Phe | Descriptor: | ALANINE, PHENYLALANINE, Proline iminopeptidase | Authors: | Goettig, P, Brandstetter, H, Groll, M, Goehring, W, Konarev, P.V, Svergun, D.I, Huber, R, Kim, J.-S. | Deposit date: | 2004-10-15 | Release date: | 2005-07-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | X-ray snapshots of peptide processing in mutants of tricorn-interacting factor F1 from Thermoplasma acidophilum J.Biol.Chem., 280, 2005
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