1CEW
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6T41
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![BU of 6t41 by Molmil](/molmil-images/mine/6t41) | CDK8/Cyclin C in complex with N-(4-chlorobenzyl)isoquinolin-4-amine | Descriptor: | 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ... | Authors: | Schneider, E.V, Maskos, K, Huber, R, Kuhn, C.-D. | Deposit date: | 2019-10-11 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A precisely positioned MED12 activation helix stimulates CDK8 kinase activity. Proc.Natl.Acad.Sci.USA, 117, 2020
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7JDW
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1CL1
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1CL2
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8JDW
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1CHM
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![BU of 1chm by Molmil](/molmil-images/mine/1chm) | ENZYMATIC MECHANISM OF CREATINE AMIDINOHYDROLASE AS DEDUCED FROM CRYSTAL STRUCTURES | Descriptor: | CARBAMOYL SARCOSINE, CREATINE AMIDINOHYDROLASE | Authors: | Hoeffken, H.W, Knof, S.H, Bartlett, P.A, Huber, R, Moellering, H, Schumacher, G. | Deposit date: | 1993-07-19 | Release date: | 1994-04-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Enzymatic mechanism of creatine amidinohydrolase as deduced from crystal structures. J.Mol.Biol., 214, 1990
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9API
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![BU of 9api by Molmil](/molmil-images/mine/9api) | THE S VARIANT OF HUMAN ALPHA1-ANTITRYPSIN, STRUCTURE AND IMPLICATIONS FOR FUNCTION AND METABOLISM | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA 1-ANTITRYPSIN, ... | Authors: | Loebermann, H, Tokuoka, R, Deisenhofer, J, Huber, R. | Deposit date: | 1988-09-08 | Release date: | 1990-10-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The S variant of human alpha 1-antitrypsin, structure and implications for function and metabolism. Protein Eng., 2, 1989
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7OR4
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![BU of 7or4 by Molmil](/molmil-images/mine/7or4) | Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B142 | Descriptor: | Dipeptidyl peptidase 8, methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate, trimethylamine oxide | Authors: | Ross, B, Huber, R. | Deposit date: | 2021-06-04 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9. Angew.Chem.Int.Ed.Engl., 61, 2022
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7OZ7
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![BU of 7oz7 by Molmil](/molmil-images/mine/7oz7) | Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, L84 | Descriptor: | Dipeptidyl peptidase 8, trimethylamine oxide, ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide | Authors: | Ross, B, Huber, R. | Deposit date: | 2021-06-26 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9. Angew.Chem.Int.Ed.Engl., 61, 2022
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6JDW
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2IXS
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![BU of 2ixs by Molmil](/molmil-images/mine/2ixs) | Structure of SdaI restriction endonuclease | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SDAI RESTRICTION ENDONUCLEASE, ... | Authors: | Tamulaitiene, G, Jakubauskas, A, Urbanke, C, Huber, R, Grazulis, S, Siksnys, V. | Deposit date: | 2006-07-11 | Release date: | 2006-09-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Crystal Structure of the Rare-Cutting Restriction Enzyme Sdai Reveals Unexpected Domain Architecture Structure, 14, 2006
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3FJU
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![BU of 3fju by Molmil](/molmil-images/mine/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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6QZV
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6QZW
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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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6TRX
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![BU of 6trx by Molmil](/molmil-images/mine/6trx) | Crystal structure of DPP8 in complex with 1G244 | Descriptor: | (2~{S})-2-azanyl-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione, Dipeptidyl peptidase 8, PHOSPHATE ION, ... | Authors: | Ross, B.H, Huber, R. | Deposit date: | 2019-12-19 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Aerosol-based ligand soaking of reservoir-free protein crystals. J.Appl.Crystallogr., 54, 2021
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6TRW
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7ZXS
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![BU of 7zxs by Molmil](/molmil-images/mine/7zxs) | Crystal structure of DPP9 in complex with a 4-oxo-b-lactam based inhibitor, A295 | Descriptor: | 1,2-ETHANEDIOL, 2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ross, B, Huber, R. | Deposit date: | 2022-05-22 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9. Angew.Chem.Int.Ed.Engl., 61, 2022
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7API
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![BU of 7api by Molmil](/molmil-images/mine/7api) | THE S VARIANT OF HUMAN ALPHA1-ANTITRYPSIN, STRUCTURE AND IMPLICATIONS FOR FUNCTION AND METABOLISM | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA 1-ANTITRYPSIN, ... | Authors: | Loebermann, H, Tokuoka, R, Deisenhofer, J, Huber, R. | Deposit date: | 1988-09-08 | Release date: | 1990-10-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The S variant of human alpha 1-antitrypsin, structure and implications for function and metabolism. Protein Eng., 2, 1989
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8API
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![BU of 8api by Molmil](/molmil-images/mine/8api) | THE S VARIANT OF HUMAN ALPHA1-ANTITRYPSIN, STRUCTURE AND IMPLICATIONS FOR FUNCTION AND METABOLISM | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-1 ANTITRYPSIN (CHAIN A), ... | Authors: | Loebermann, H, Tokuoka, R, Deisenhofer, J, Huber, R. | Deposit date: | 1988-09-08 | Release date: | 1990-10-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The S variant of human alpha 1-antitrypsin, structure and implications for function and metabolism. Protein Eng., 2, 1989
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5PTI
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7A3F
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![BU of 7a3f by Molmil](/molmil-images/mine/7a3f) | Crystal structure of apo DPP9 | Descriptor: | Dipeptidyl peptidase 9, GLYCEROL, PHOSPHATE ION | Authors: | Ross, B.H, Huber, R. | Deposit date: | 2020-08-18 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery and Development of 4-Oxo-beta-Lactams as Novel Inhibitors of Dipeptidyl Peptidases 8 and 9 To Be Published
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7A3G
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![BU of 7a3g by Molmil](/molmil-images/mine/7a3g) | Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, 91 | Descriptor: | 1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione, CHLORIDE ION, Dipeptidyl peptidase 8, ... | Authors: | Ross, B.H, Huber, R. | Deposit date: | 2020-08-18 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9. Angew.Chem.Int.Ed.Engl., 2022
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7A3J
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![BU of 7a3j by Molmil](/molmil-images/mine/7a3j) | Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, A272 | Descriptor: | 2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide, CHLORIDE ION, Dipeptidyl peptidase 8, ... | Authors: | Ross, B.H, Huber, R. | Deposit date: | 2020-08-18 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9. Angew.Chem.Int.Ed.Engl., 2022
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