1F97
| SOLUBLE PART OF THE JUNCTION ADHESION MOLECULE FROM MOUSE | Descriptor: | JUNCTION ADHESION MOLECULE, MAGNESIUM ION | Authors: | Kostrewa, D, Brockhaus, M, D'Arcy, A, Dale, G, Bazzoni, G, Dejana, E, Winkler, F, Hennig, M. | Deposit date: | 2000-07-07 | Release date: | 2001-01-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray structure of junctional adhesion molecule: structural basis for homophilic adhesion via a novel dimerization motif. EMBO J., 20, 2001
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1DRF
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2G2O
| Structure of E.coli FabD complexed with sulfate | Descriptor: | Malonyl CoA-acyl carrier protein transacylase, SULFATE ION | Authors: | Oefner, C. | Deposit date: | 2006-02-16 | Release date: | 2006-05-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Mapping the active site of Escherichia coli malonyl-CoA-acyl carrier protein transacylase (FabD) by protein crystallography. Acta Crystallogr.,Sect.D, 62, 2006
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2G2Y
| Structure of E.coli FabD complexed with malonate | Descriptor: | MALONATE ION, Malonyl CoA-acyl carrier protein transacylase | Authors: | Oefner, C. | Deposit date: | 2006-02-17 | Release date: | 2006-05-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Mapping the active site of Escherichia coli malonyl-CoA-acyl carrier protein transacylase (FabD) by protein crystallography. Acta Crystallogr.,Sect.D, 62, 2006
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2G1H
| Structure of E.coli FabD complexed with glycerol | Descriptor: | GLYCEROL, Malonyl CoA-acyl carrier protein transacylase | Authors: | Oefner, C. | Deposit date: | 2006-02-14 | Release date: | 2006-05-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Mapping the active site of Escherichia coli malonyl-CoA-acyl carrier protein transacylase (FabD) by protein crystallography. Acta Crystallogr.,Sect.D, 62, 2006
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6USY
| COAGULATION FACTOR XI CATALYTIC DOMAIN (C123S) IN COMPLEX WITH NVP-XIV936 | Descriptor: | 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid, Coagulation factor XIa light chain | Authors: | Weihofen, W.A, Clark, K, Nunes, S. | Deposit date: | 2019-10-28 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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5LGO
| Trypsin inhibitors for the treatment of pancreatitis - cpd 15 | Descriptor: | (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-[4-(2-cyclopropylethoxy)-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidin-7-yl]-~{N}-methyl-pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiering, N, D'Arcy, A. | Deposit date: | 2016-07-07 | Release date: | 2016-08-10 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Trypsin inhibitors for the treatment of pancreatitis. Bioorg.Med.Chem.Lett., 26, 2016
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5LH4
| Trypsin inhibitors for the treatment of pancreatitis - cpd 1 | Descriptor: | (2~{S},4~{S})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiering, N, D'Arcy, A, Skaanderup, P, Simic, O, Brandl, T, Woelcke, J. | Deposit date: | 2016-07-08 | Release date: | 2018-01-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Trypsin inhibitors for the treatment of pancreatitis. Bioorg. Med. Chem. Lett., 26, 2016
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5LH8
| Trypsin inhibitors for the treatment of pancreatitis - cpd 8 | Descriptor: | (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-[(1~{S},2~{R})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiering, N, D'Arcy, A, Skaanderup, P, Simic, O, Brandl, T, Woelcke, J. | Deposit date: | 2016-07-08 | Release date: | 2016-08-10 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Trypsin inhibitors for the treatment of pancreatitis. Bioorg.Med.Chem.Lett., 26, 2016
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1RVE
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1TNR
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6TS5
| Coagulation factor XI protease domain in complex with active site inhibitor | Descriptor: | 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ... | Authors: | Renatus, M, Schiering, N. | Deposit date: | 2019-12-20 | Release date: | 2020-07-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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6TS6
| Coagulation factor XI protease domain in complex with active site inhibitor | Descriptor: | 2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ... | Authors: | Renatus, M, Schiering, N. | Deposit date: | 2019-12-20 | Release date: | 2020-07-08 | Last modified: | 2020-08-26 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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6TS4
| Coagulation factor XI protease domain in complex with active site inhibitor | Descriptor: | 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ... | Authors: | Renatus, M, Schiering, N. | Deposit date: | 2019-12-19 | Release date: | 2020-07-08 | Last modified: | 2020-08-26 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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6T7P
| human plasmakallikrein protease domain in complex with active site directed inhibitor | Descriptor: | (2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | Authors: | Renatus, M. | Deposit date: | 2019-10-22 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.416 Å) | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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3V4O
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6TS7
| Coagulation factor XI protease domain in complex with active site inhibitor | Descriptor: | 2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid, Coagulation factor XI | Authors: | Renatus, M, Schiering, N. | Deposit date: | 2019-12-20 | Release date: | 2020-07-08 | Last modified: | 2020-08-26 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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3V4L
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3V55
| Human MALT1 (334-719) in its ligand free form | Descriptor: | Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | Authors: | Renatus, M, Wiesmann, C. | Deposit date: | 2011-12-16 | Release date: | 2012-03-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural Determinants of MALT1 Protease Activity. J.Mol.Biol., 419, 2012
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2WDP
| Crystal Structure of Ligand Free Human Caspase-6 | Descriptor: | CASPASE-6, PHOSPHATE ION | Authors: | Baumgartner, R, Briand, C, Meder, G, Morse, R, Renatus, M. | Deposit date: | 2009-03-25 | Release date: | 2009-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Crystal Structure of Caspase-6, a Selective Effector of Axonal Degeneration. Biochem.J., 423, 2009
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5JMY
| NEPRILYSIN COMPLEXED WITH LBQ657 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neprilysin, ... | Authors: | Schiering, N, Wiesmann, C. | Deposit date: | 2016-04-29 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of neprilysin in complex with the active metabolite of sacubitril. Sci Rep, 6, 2016
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4RVE
| THE CRYSTAL STRUCTURE OF ECORV ENDONUCLEASE AND OF ITS COMPLEXES WITH COGNATE AND NON-COGNATE DNA SEGMENTS | Descriptor: | DNA (5'-D(*GP*GP*GP*AP*TP*AP*TP*CP*CP*C)-3'), PROTEIN (ECO RV (E.C.3.1.21.4)) | Authors: | Winkler, F.K, Banner, D.W, Oefner, C, Tsernoglou, D, Brown, R.S, Heathman, S.P, Bryan, R.K, Martin, P.D, Petratos, K, Wilso, K.S. | Deposit date: | 1993-02-18 | Release date: | 1993-04-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The crystal structure of EcoRV endonuclease and of its complexes with cognate and non-cognate DNA fragments. EMBO J., 12, 1993
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4Q1N
| Structure-based design of 4-hydroxy-3,5-substituted piperidines as direct renin inhibitors | Descriptor: | (3S,4R,5R)-N-cyclopropyl-N'-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-N-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Schiering, N, D'Arcy, A, Irie, O, Yokokawa, F. | Deposit date: | 2014-04-04 | Release date: | 2014-08-06 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors. ACS Med Chem Lett, 5, 2014
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6THP
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2G2Z
| Structure of E.coli FabD complexed with malonyl-CoA | Descriptor: | COENZYME A, MALONIC ACID, Malonyl CoA-acyl carrier protein transacylase | Authors: | Oefner, Christian | Deposit date: | 2006-02-17 | Release date: | 2006-06-27 | Last modified: | 2015-04-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mapping the active site of Escherichia coli malonyl-CoA-acyl carrier protein transacylase (FabD) by protein crystallography. Acta Crystallogr.,Sect.D, 62, 2006
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