4K8Y
| Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with Sunflower Trypsin Inhibitor (SFTI-1) | Descriptor: | Kallikrein-4, Trypsin inhibitor 1 | Authors: | Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M. | Deposit date: | 2013-04-19 | Release date: | 2014-04-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics Sci Rep, 6, 2016
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2ZJL
| Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide | Descriptor: | Beta-secretase 1, N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide | Authors: | Randal, M, Lam, M.B, Lu, W, Romanowski, M.J. | Deposit date: | 2008-03-07 | Release date: | 2009-01-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fragment-based discovery of novel BACE1 inhibitors using Tethering technology To be Published
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3ZPU
| Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors | Descriptor: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-8-tert-butyl-11-oxidanyl-7,10-bis(oxidanylidene)-6,9-diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | Authors: | Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M. | Deposit date: | 2013-03-01 | Release date: | 2013-11-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors J.Med.Chem., 56, 2013
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1J14
| BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99RT | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | Authors: | Stubbs, M.T. | Deposit date: | 2002-11-30 | Release date: | 2002-12-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity J.MOL.BIOL., 325, 2003
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3QE8
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3QPJ
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7XX9
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2ZCK
| Crystal structure of a ternary complex between PSA, a substrat-acyl intermediate and an activating antibody | Descriptor: | KGISSQY, Prostate-specific antigen, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Menez, R, Stura, E, Jolivet-Reynaud, C. | Deposit date: | 2007-11-09 | Release date: | 2008-01-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of a ternary complex between human prostate-specific antigen, its substrate acyl intermediate and an activating antibody J.Mol.Biol., 376, 2008
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7XX8
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4KPA
| Crystal structure of cytochrome P450 BM-3 in complex with N-palmitoylglycine (NPG) | Descriptor: | Cytochrome P450 BM-3, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Amadeo, G.A, Catalano, J, McDermott, A.E, Tong, L. | Deposit date: | 2013-05-13 | Release date: | 2013-07-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Evidence: A Single Charged Residue Affects Substrate Binding in Cytochrome P450 BM-3. Biochemistry, 52, 2013
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1IWY
| Crystal Structure Analysis of Human lysozyme at 170K. | Descriptor: | CHLORIDE ION, LYSOZYME C | Authors: | Joti, Y, Nakasako, M, Kidera, A, Go, N. | Deposit date: | 2002-06-03 | Release date: | 2002-09-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Nonlinear temperature dependence of the crystal structure of lysozyme: correlation between coordinate shifts and thermal factors. Acta Crystallogr.,Sect.D, 58, 2002
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3QFW
| Crystal structure of Rubisco-like protein from Rhodopseudomonas palustris | Descriptor: | Ribulose-1,5-bisphosphate carboxylase/oxygenase large subunit, SULFATE ION | Authors: | Fedorov, A.A, Fedorov, E.V, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2011-01-23 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.789 Å) | Cite: | Crystal structure of Rubisco-like protein from Rhodopseudomonas palustris To be Published
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4AA8
| Bovine chymosin at 1.8A resolution | Descriptor: | CHLORIDE ION, CHYMOSIN | Authors: | Langholm Jensen, J, Molgaard, A, Navarro Poulsen, J.C, van den Brink, J.M, Harboe, M, Simonsen, J.B, Qvist, K.B, Larsen, S. | Deposit date: | 2011-11-30 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Camel and Bovine Chymosin: The Relationship between Their Structures and Cheese-Making Properties. Acta Crystallogr.,Sect.D, 69, 2013
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3QIN
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4KE0
| Crystal structure of BACE1 in complex with hydroxyethylamine-macrocyclic inhibitor 13 | Descriptor: | (3S)-3-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one, Beta-secretase 1, GLYCEROL, ... | Authors: | Whittington, D.A, Long, A.M, Li, V. | Deposit date: | 2013-04-25 | Release date: | 2013-07-03 | Last modified: | 2013-07-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity. Bioorg.Med.Chem.Lett., 23, 2013
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4KEL
| Atomic resolution crystal structure of Kallikrein-Related Peptidase 4 complexed with a modified SFTI inhibitor FCQR(N) | Descriptor: | Kallikrein-4, Trypsin inhibitor 1 | Authors: | Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M. | Deposit date: | 2013-04-25 | Release date: | 2014-04-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.148 Å) | Cite: | KLK4 Inhibition by Cyclic and Acyclic Peptides: Structural and Dynamical Insights into Standard-Mechanism Protease Inhibitors. Biochemistry, 58, 2019
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2ZIB
| Crystal structure analysis of calcium-independent type II antifreeze protein | Descriptor: | SULFATE ION, Type II antifreeze protein | Authors: | Nishimiya, Y, Sato, R, Kondo, H, Noro, N, Sugimoto, H, Suzuki, M, Tsuda, S. | Deposit date: | 2008-02-14 | Release date: | 2008-08-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Crystal structure and mutational analysis of Ca2+-independent type II antifreeze protein from longsnout poacher, Brachyopsis rostratus J.Mol.Biol., 382, 2008
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4FON
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7WOM
| The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with eicosapentaenoic acid | Descriptor: | 5,8,11,14,17-EICOSAPENTAENOIC ACID, Fatty acid-binding protein, heart | Authors: | Sugiyama, S, Kakinouchi, K, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | Deposit date: | 2022-01-21 | Release date: | 2023-01-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with eicosapentaenoic acid To Be Published
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7WPU
| The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with undecanoic acid | Descriptor: | Fatty acid-binding protein, heart, PENTAETHYLENE GLYCOL, ... | Authors: | Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | Deposit date: | 2022-01-24 | Release date: | 2023-01-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with undecanoic acid To Be Published
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2ZJM
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2ZJX
| Bovine pancreatic trypsin inhibitor (BPTI) containing only the [5,55] disulfide bond | Descriptor: | Pancreatic trypsin inhibitor, SULFATE ION | Authors: | Islam, M.M, Sohya, S, Noguchi, K, Yohda, M, Kuroda, Y. | Deposit date: | 2008-03-11 | Release date: | 2008-10-21 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Crystal structure of an extensively simplified variant of bovine pancreatic trypsin inhibitor in which over one-third of the residues are alanines Proc.Natl.Acad.Sci.Usa, 105, 2008
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4FRJ
| Crystal structure of BACE1 in complex with aminooxazoline xanthene 9l | Descriptor: | (4S)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2012-06-26 | Release date: | 2012-09-12 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease. J.Med.Chem., 55, 2012
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1J8A
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4FRS
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