7JQN
| Crystal structure of the R64M mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4 | Descriptor: | CADMIUM ION, CHLORIDE ION, Kallikrein-4, ... | Authors: | Li, M, Wlodawer, A, Gustchina, A. | Deposit date: | 2020-08-11 | Release date: | 2021-07-21 | Last modified: | 2021-08-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI. Acta Crystallogr D Struct Biol, 77, 2021
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7JQK
| Crystal structure of the R64A mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4 | Descriptor: | CADMIUM ION, CHLORIDE ION, Kallikrein-4, ... | Authors: | Li, M, Wlodawer, A, Gustchina, A. | Deposit date: | 2020-08-11 | Release date: | 2021-07-21 | Last modified: | 2021-08-11 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI. Acta Crystallogr D Struct Biol, 77, 2021
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7JQV
| Crystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4 | Descriptor: | CHLORIDE ION, Kallikrein 4 (Prostase, enamel matrix, ... | Authors: | Li, M, Wlodawer, A, Gustchina, A. | Deposit date: | 2020-08-11 | Release date: | 2021-07-21 | Last modified: | 2021-08-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI. Acta Crystallogr D Struct Biol, 77, 2021
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7JR2
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7JR1
| Crystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin | Descriptor: | Cationic trypsin, Kunitz-type inihibitor, SODIUM ION, ... | Authors: | Li, M, Wlodawer, A, Gustchina, A. | Deposit date: | 2020-08-11 | Release date: | 2021-07-21 | Last modified: | 2021-08-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI. Acta Crystallogr D Struct Biol, 77, 2021
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4U13
| Crystal structure of putative polyketide cyclase (protein SMa1630) from Sinorhizobium meliloti at 2.3 A resolution | Descriptor: | putative polyketide cyclase SMa1630 | Authors: | Shabalin, I.G, Bacal, P, Osinski, T, Cooper, D.R, Szlachta, K, Stead, M, Grabowski, M, Hammonds, J, Ahmed, M, Hillerich, B.S, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-07-14 | Release date: | 2014-09-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a putative polyketide cyclase (protein SMa1630) from Sinorhizobium meliloti at 2.3 A resolution to be published
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1EJM
| CRYSTAL STRUCTURE OF THE BPTI ALA16LEU MUTANT IN COMPLEX WITH BOVINE TRYPSIN | Descriptor: | BETA-TRYPSIN, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION | Authors: | Otlewski, J, Smalas, A, Helland, R, Grzesiak, A, Krowarsch, D. | Deposit date: | 2000-03-03 | Release date: | 2001-03-03 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Substitutions at the P(1) position in BPTI strongly affect the association energy with serine proteinases. J.Mol.Biol., 301, 2000
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2TGP
| THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS | Descriptor: | CALCIUM ION, SULFATE ION, TRYPSIN INHIBITOR, ... | Authors: | Huber, R, Bode, W, Deisenhofer, J, Schwager, P. | Deposit date: | 1982-09-27 | Release date: | 1983-01-18 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors Acta Crystallogr.,Sect.B, 39, 1983
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2TPI
| ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY | Descriptor: | ISOLEUCINE, MERCURY (II) ION, TRYPSIN INHIBITOR, ... | 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 (2.1 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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5FUQ
| CRYSTAL STRUCTURE OF THE H80R VARIANT OF NQO1 BOUND TO DICOUMAROL | Descriptor: | ACETATE ION, BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Gavira, J.A, Medina-Carmona, E, Pey, A.L. | Deposit date: | 2016-01-29 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Enhanced vulnerability of human proteins towards disease-associated inactivation through divergent evolution. Hum.Mol.Genet., 26, 2017
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1IFG
| CRYSTAL STRUCTURE OF A MONOMERIC FORM OF GENERAL PROTEASE INHIBITOR, ECOTIN IN ABSENCE OF A PROTEASE | Descriptor: | ECOTIN | Authors: | Eggers, C.T, Wang, S.X, Fletterick, R.J, Craik, C.S. | Deposit date: | 2001-04-12 | Release date: | 2001-05-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The role of ecotin dimerization in protease inhibition. J.Mol.Biol., 308, 2001
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6QF7
| Crystal structures of the recombinant beta-Factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, ... | Authors: | Pathak, M, Mannal, R, Li, C, Bubacarr, G.K, Badraldin, K.H, Belviso, B.D, Camila, R.B, Dreveny, I, Fischer, P.M, Dekker, L.V, Oliva, M.L.V, Emsley, J. | Deposit date: | 2019-01-09 | Release date: | 2019-06-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Crystal structures of the recombinant beta-factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics. Acta Crystallogr D Struct Biol, 75, 2019
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8HEF
| The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL | Authors: | Yan, M, Zhang, H. | Deposit date: | 2022-11-08 | Release date: | 2023-04-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2. Antiviral Res., 213, 2023
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1IQQ
| Crystal Structure of Japanese pear S3-RNase | Descriptor: | S3-RNase, beta-D-xylopyranose-(1-2)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Matsuura, T, Sakai, H, Norioka, S. | Deposit date: | 2001-07-25 | Release date: | 2001-11-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure at 1.5-A resolution of Pyrus pyrifolia pistil ribonuclease responsible for gametophytic self-incompatibility. J.Biol.Chem., 276, 2001
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1IZE
| Crystal structure of Aspergillus oryzae Aspartic proteinase complexed with pepstatin | Descriptor: | Pepstatin, alpha-D-mannopyranose, aspartic proteinase | Authors: | Kamitori, S, Ohtaki, A, Ino, H, Takeuchi, M. | Deposit date: | 2002-10-02 | Release date: | 2003-03-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of Aspergillus oryzae aspartic proteinase and its complex with an inhibitor pepstatin at 1.9A resolution. J.Mol.Biol., 326, 2003
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1IZD
| Crystal structure of Aspergillus oryzae Aspartic Proteinase | Descriptor: | Aspartic proteinase, alpha-D-mannopyranose | Authors: | Kamitori, S, Ohtaki, A, Ino, H, Takeuchi, M. | Deposit date: | 2002-10-02 | Release date: | 2003-03-04 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Aspergillus oryzae Aspartic Proteinase and its Complex with an Inhibitor Pepstatin at 1.9 A Resolution J.Mol.Biol., 326, 2003
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5UF3
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6A0Z
| Crystal structure of broadly neutralizing antibody 13D4 bound to H5N1 influenza hemagglutinin, HA head region | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 13D4, Fab Heavy Chain, ... | Authors: | Li, S, Li, T. | Deposit date: | 2018-06-06 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.329 Å) | Cite: | Structural Basis for the Broad, Antibody-Mediated Neutralization of H5N1 Influenza Virus. J. Virol., 92, 2018
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6A0X
| Crystal structure of broadly neutralizing antibody 13D4 | Descriptor: | Antibody 13D4, Fab Heavy Chain, Fab Light Chain | Authors: | Li, S, Li, T. | Deposit date: | 2018-06-06 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for the Broad, Antibody-Mediated Neutralization of H5N1 Influenza Virus. J. Virol., 92, 2018
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6OC9
| S8 phosphorylated beta amyloid 40 fibrils | Descriptor: | Amyloid-beta precursor protein, PHOSPHONATE | Authors: | Qiang, W, Hu, Z.W. | Deposit date: | 2019-03-22 | Release date: | 2019-06-05 | Last modified: | 2024-05-01 | Method: | SOLID-STATE NMR | Cite: | Molecular structure of an N-terminal phosphorylated beta-amyloid fibril. Proc.Natl.Acad.Sci.USA, 116, 2019
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7QAC
| The T2 structure of polycrystalline cubic human insulin | Descriptor: | Insulin A chain, Insulin B chain | Authors: | Karavassili, F, Triandafillidis, D.P, Valmas, A, Spiliopoulou, M, Fili, S, Kontou, P, Bowler, M.W, Von Dreele, R.B, Fitch, A, Margiolaki, I. | Deposit date: | 2021-11-16 | Release date: | 2023-06-21 | Last modified: | 2024-10-09 | Method: | POWDER DIFFRACTION (2.29 Å) | Cite: | The T 2 structure of polycrystalline cubic human insulin. Acta Crystallogr D Struct Biol, 79, 2023
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4USS
| Populus trichocarpa glutathione transferase X1-1 (GHR1), complexed with glutathione | Descriptor: | GLUTATHIONE, GLUTATHIONYL HYDROQUINONE REDUCTASE, PHOSPHATE ION | Authors: | Lallement, P.A, Meux, E, Gualberto, J.M, Dumaracay, S, Favier, F, Didierjean, C, Saul, F, Haouz, A, Morel-Rouhier, M, Gelhaye, E, Rouhier, N, Hecker, A. | Deposit date: | 2014-07-13 | Release date: | 2014-12-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Glutathionyl-Hydroquinone Reductases from Poplar are Plastidial Proteins that Deglutathionylate Both Reduced and Oxidized Glutathionylated Quinones. FEBS Lett., 589, 2015
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4WXU
| Crystal Structure of the Selenomthionine Incorporated Myocilin Olfactomedin Domain E396D Variant. | Descriptor: | CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ... | Authors: | Donegan, R.K, Freeman, D.M, Lieberman, R.L. | Deposit date: | 2014-11-14 | Release date: | 2015-04-01 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | Structural basis for misfolding in myocilin-associated glaucoma. Hum.Mol.Genet., 24, 2015
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7ZVC
| Second crystal form of the mature glutamic-class prolyl-endopeptidase neprosin at 1.85 A resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-terminal peptidase, GLY-GLY-GLY-GLY, ... | Authors: | Rodriguez-Banqueri, A, Eckhard, U, Del Amo-Maestro, L, Mendes, S.R, Guevara, T, Gomis-Ruth, F.X. | Deposit date: | 2022-05-14 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy. Nat Commun, 13, 2022
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7ZH0
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