1XH4
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![BU of 1xh4 by Molmil](/molmil-images/mine/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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3SHJ
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![BU of 3shj by Molmil](/molmil-images/mine/3shj) | Proteasome in complex with hydroxyurea derivative HU10 | Descriptor: | 1-hydroxy-1-[(2R)-4-{3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yloxy]phenyl}but-3-yn-2-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proteasome component C1, ... | Authors: | Gallastegui, N, Beck, P, Arciniega, M, Hillebrand, S, Huber, R, Groll, M. | Deposit date: | 2011-06-16 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Hydroxyureas as noncovalent proteasome inhibitors. Angew.Chem.Int.Ed.Engl., 51, 2012
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3OKJ
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![BU of 3okj by Molmil](/molmil-images/mine/3okj) | Alpha-keto-aldehyde binding mechanism reveals a novel lead structure motif for proteasome inhibition | Descriptor: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]-L-leucinamide, Proteasome component C1, Proteasome component C11, ... | Authors: | Groll, M, Poynor, M, Gallastegui, P, Stein, M, Schmidt, B, Kloetzel, P.M, Huber, R. | Deposit date: | 2010-08-25 | Release date: | 2011-06-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Elucidation of the alpha-keto-aldehyde binding mechanism: a lead structure motif for proteasome inhibition Angew.Chem.Int.Ed.Engl., 50, 2011
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1XH7
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![BU of 1xh7 by Molmil](/molmil-images/mine/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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1DP0
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![BU of 1dp0 by Molmil](/molmil-images/mine/1dp0) | E. COLI BETA-GALACTOSIDASE AT 1.7 ANGSTROM | Descriptor: | BETA-GALACTOSIDASE, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Juers, D.H, Jacobson, R.H, Wigley, D, Zhang, X.J, Huber, R.E, Tronrud, D.E, Matthews, B.W. | Deposit date: | 1999-12-22 | Release date: | 2001-02-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | High resolution refinement of beta-galactosidase in a new crystal form reveals multiple metal-binding sites and provides a structural basis for alpha-complementation. Protein Sci., 9, 2000
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1ASO
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![BU of 1aso by Molmil](/molmil-images/mine/1aso) | X-RAY STRUCTURES AND MECHANISTIC IMPLICATIONS OF THREE FUNCTIONAL DERIVATIVES OF ASCORBATE OXIDASE FROM ZUCCHINI: REDUCED-, PEROXIDE-, AND AZIDE-FORMS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBATE OXIDASE, COPPER (II) ION, ... | Authors: | Messerschmidt, A, Luecke, H, Huber, R. | Deposit date: | 1992-11-25 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray structures and mechanistic implications of three functional derivatives of ascorbate oxidase from zucchini. Reduced, peroxide and azide forms. J.Mol.Biol., 230, 1993
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1A8R
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![BU of 1a8r by Molmil](/molmil-images/mine/1a8r) | GTP CYCLOHYDROLASE I (H112S MUTANT) IN COMPLEX WITH GTP | Descriptor: | GTP CYCLOHYDROLASE I, GUANOSINE-5'-TRIPHOSPHATE | Authors: | Auerbach, G, Nar, H, Bracher, A, Bacher, A, Huber, R. | Deposit date: | 1998-03-27 | Release date: | 1999-05-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biosynthesis of pteridines. Reaction mechanism of GTP cyclohydrolase I. J.Mol.Biol., 326, 2003
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1TFX
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![BU of 1tfx by Molmil](/molmil-images/mine/1tfx) | |
2CGA
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![BU of 2cga by Molmil](/molmil-images/mine/2cga) | |
2GSR
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![BU of 2gsr by Molmil](/molmil-images/mine/2gsr) | |
2IG2
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![BU of 2ig2 by Molmil](/molmil-images/mine/2ig2) | DIR PRIMAERSTRUKTUR DES KRISTALLISIERBAREN MONOKLONALEN IMMUNOGLOBULINS IGG1 KOL. II. AMINOSAEURESEQUENZ DER L-KETTE, LAMBDA-TYP, SUBGRUPPE I (GERMAN) | Descriptor: | IGG1-LAMBDA KOL FAB (HEAVY CHAIN), IGG1-LAMBDA KOL FAB (LIGHT CHAIN) | Authors: | Marquart, M, Huber, R. | Deposit date: | 1989-04-18 | Release date: | 1989-07-12 | Last modified: | 2019-10-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The primary structure of crystallizable monoclonal immunoglobulin IgG1 Kol. II. Amino acid sequence of the L-chain, gamma-type, subgroup I Biol.Chem.Hoppe-Seyler, 370, 1989
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1A9C
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![BU of 1a9c by Molmil](/molmil-images/mine/1a9c) | GTP CYCLOHYDROLASE I (C110S MUTANT) IN COMPLEX WITH GTP | Descriptor: | GTP CYCLOHYDROLASE I, GUANOSINE-5'-TRIPHOSPHATE | Authors: | Auerbach, G, Nar, H, Bracher, A, Bacher, A, Huber, R. | Deposit date: | 1998-04-04 | Release date: | 1999-05-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | GTP Cyclohydrolase I in Complex with GTP at 2.1 A Resolution To be Published
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2IMM
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![BU of 2imm by Molmil](/molmil-images/mine/2imm) | |
2HS6
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![BU of 2hs6 by Molmil](/molmil-images/mine/2hs6) | |
1TGC
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![BU of 1tgc by Molmil](/molmil-images/mine/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: | 2024-06-05 | 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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1TGT
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![BU of 1tgt by Molmil](/molmil-images/mine/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: | 2024-06-05 | 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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2HS8
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![BU of 2hs8 by Molmil](/molmil-images/mine/2hs8) | |
1G65
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![BU of 1g65 by Molmil](/molmil-images/mine/1g65) | Crystal structure of epoxomicin:20s proteasome reveals a molecular basis for selectivity of alpha,beta-epoxyketone proteasome inhibitors | Descriptor: | EPOXOMICIN (peptide inhibitor), MAGNESIUM ION, Proteasome component C1, ... | Authors: | Groll, M, Kim, K.B, Kairies, N, Huber, R, Crews, C. | Deposit date: | 2000-11-03 | Release date: | 2000-11-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure of Epoxomicin:20S Proteasome reveals a molecular basis for selectivity of alpha,beta-Epoxyketone Proteasome Inhibitors J.Am.Chem.Soc., 122, 2000
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1Q24
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![BU of 1q24 by Molmil](/molmil-images/mine/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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1SZM
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![BU of 1szm by Molmil](/molmil-images/mine/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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1AOZ
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![BU of 1aoz by Molmil](/molmil-images/mine/1aoz) | REFINED CRYSTAL STRUCTURE OF ASCORBATE OXIDASE AT 1.9 ANGSTROMS RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBATE OXIDASE, COPPER (II) ION, ... | Authors: | Messerschmidt, A, Ladenstein, R, Huber, R. | Deposit date: | 1992-01-08 | Release date: | 1993-10-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Refined crystal structure of ascorbate oxidase at 1.9 A resolution. J.Mol.Biol., 224, 1992
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1Q62
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![BU of 1q62 by Molmil](/molmil-images/mine/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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2NSM
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![BU of 2nsm by Molmil](/molmil-images/mine/2nsm) | Crystal structure of the human carboxypeptidase N (Kininase I) catalytic domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carboxypeptidase N catalytic chain, SULFATE ION | Authors: | Keil, C, Maskos, K, Than, M, Hoopes, J.T, Huber, R, Tan, F, Deddish, P.A, Erdoes, E.G, Skidgel, R.A, Bode, W. | Deposit date: | 2006-11-05 | Release date: | 2007-04-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the human carboxypeptidase N (kininase I) catalytic domain J.Mol.Biol., 366, 2007
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3MYW
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![BU of 3myw by Molmil](/molmil-images/mine/3myw) | The Bowman-Birk type inhibitor from mung bean in ternary complex with porcine trypsin | Descriptor: | Bowman-Birk type trypsin inhibitor, CALCIUM ION, Trypsin | Authors: | Engh, R.A, Bode, W, Huber, R, Lin, G, Chi, C. | Deposit date: | 2010-05-11 | Release date: | 2010-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The 0.25-nm X-ray structure of the Bowman-Birk-type inhibitor from mung bean in ternary complex with porcine trypsin. Eur.J.Biochem., 212, 1993
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2HSA
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![BU of 2hsa by Molmil](/molmil-images/mine/2hsa) | Crystal structure of 12-oxophytodienoate reductase 3 (OPR3) from tomato | Descriptor: | 12-oxophytodienoate reductase 3, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Breithaupt, C, Clausen, T, Huber, R. | Deposit date: | 2006-07-21 | Release date: | 2006-09-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of 12-oxophytodienoate reductase 3 from tomato: Self-inhibition by dimerization. Proc.Natl.Acad.Sci.Usa, 103, 2006
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