1EPP
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![BU of 1epp by Molmil](/molmil-images/mine/1epp) | ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-130,693 (MAS PHE LYS+MTF STA MBA) | Descriptor: | ENDOTHIAPEPSIN, N-(dimethylsulfamoyl)-L-phenylalanyl-N-[(1S,2S)-2-hydroxy-4-{[(2S)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-N~6~-(methylcarbamothioyl)-L-lysinamide, SULFATE ION | Authors: | Wallace, B.A, Cooper, J.B, Blundell, T.L. | Deposit date: | 1994-07-27 | Release date: | 1994-12-20 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors. J.Med.Chem., 36, 1993
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1EEM
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![BU of 1eem by Molmil](/molmil-images/mine/1eem) | GLUTATHIONE TRANSFERASE FROM HOMO SAPIENS | Descriptor: | GLUTATHIONE, GLUTATHIONE-S-TRANSFERASE, SULFATE ION | Authors: | Board, P, Coggan, M, Chelvanayagam, G, Easteal, S, Jermiin, L.S, Schulte, G.K, Danley, D.E, Hoth, L.R, Griffor, M.C, Kamath, A.V, Rosner, M.H, Chrunyk, B.A, Perregaux, D.E, Gabel, C.A, Geoghegan, K.F, Pandit, J. | Deposit date: | 2000-02-01 | Release date: | 2000-08-11 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification, characterization, and crystal structure of the Omega class glutathione transferases. J.Biol.Chem., 275, 2000
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3EA3
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![BU of 3ea3 by Molmil](/molmil-images/mine/3ea3) | Crystal Structure of the Y246S/Y247S/Y248S/Y251S Mutant of Phosphatidylinositol-Specific Phospholipase C from Bacillus Thuringiensis | Descriptor: | 1-phosphatidylinositol phosphodiesterase, MANGANESE (II) ION | Authors: | Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F. | Deposit date: | 2008-08-24 | Release date: | 2009-04-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Modulation of Bacillus thuringiensis Phosphatidylinositol-specific Phospholipase C Activity by Mutations in the Putative Dimerization Interface. J.Biol.Chem., 284, 2009
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1JD6
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![BU of 1jd6 by Molmil](/molmil-images/mine/1jd6) | Crystal Structure of DIAP1-BIR2/Hid Complex | Descriptor: | APOPTOSIS 1 INHIBITOR, ZINC ION, head involution defective protein | Authors: | Wu, J.W, Cocina, A.E, Chai, J, Hay, B.A, Shi, Y. | Deposit date: | 2001-06-12 | Release date: | 2001-12-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural analysis of a functional DIAP1 fragment bound to grim and hid peptides. Mol.Cell, 8, 2001
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1JBL
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![BU of 1jbl by Molmil](/molmil-images/mine/1jbl) | Solution structure of SFTI-1, A cyclic trypsin inhibitor from sunflower seeds | Descriptor: | CYCLIC TRYPSIN INHIBITOR | Authors: | Korsinczky, M.L.J, Schirra, H.J, Rosengren, K.J, West, J, Condie, B.A, Otvos, L, Anderson, M.A, Craik, D.J. | Deposit date: | 2001-06-05 | Release date: | 2001-08-22 | Last modified: | 2015-04-15 | Method: | SOLUTION NMR | Cite: | Solution structures by 1H NMR of the novel cyclic trypsin inhibitor SFTI-1 from sunflower seeds and an acyclic permutant. J.Mol.Biol., 311, 2001
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1JD4
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![BU of 1jd4 by Molmil](/molmil-images/mine/1jd4) | Crystal Structure of DIAP1-BIR2 | Descriptor: | APOPTOSIS 1 INHIBITOR, ZINC ION | Authors: | Wu, J.W, Cocina, A.E, Chai, J, Hay, B.A, Shi, Y. | Deposit date: | 2001-06-12 | Release date: | 2001-12-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural analysis of a functional DIAP1 fragment bound to grim and hid peptides. Mol.Cell, 8, 2001
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1JBN
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![BU of 1jbn by Molmil](/molmil-images/mine/1jbn) | Solution structure of an acyclic permutant of SFTI-1, A trypsin inhibitor from sunflower seeds | Descriptor: | CYCLIC TRYPSIN INHIBITOR | Authors: | Korsinczky, M.L.J, Schirra, H.J, Rosengren, K.J, West, J, Condie, B.A, Otvos, L, Anderson, M.A, Craik, D.J. | Deposit date: | 2001-06-06 | Release date: | 2001-08-22 | Last modified: | 2016-12-28 | Method: | SOLUTION NMR | Cite: | Solution structures by 1H NMR of the novel cyclic trypsin inhibitor SFTI-1 from sunflower seeds and an acyclic permutant. J.Mol.Biol., 311, 2001
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1SDW
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![BU of 1sdw by Molmil](/molmil-images/mine/1sdw) | Reduced (Cu+) peptidylglycine alpha-hydroxylating monooxygenase with bound peptide and dioxygen | Descriptor: | COPPER (II) ION, GLYCEROL, N-ALPHA-ACETYL-3,5-DIIODOTYROSYL-D-THREONINE, ... | Authors: | Prigge, S.T, Eipper, B.A, Mains, R.E, Amzel, L.M. | Deposit date: | 2004-02-14 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Dioxygen binds end-on to mononuclear copper in a precatalytic enzyme complex. Science, 304, 2004
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1BCY
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![BU of 1bcy by Molmil](/molmil-images/mine/1bcy) | RECOMBINANT RAT ANNEXIN V, T72K MUTANT | Descriptor: | ANNEXIN V, CALCIUM ION, SULFATE ION | Authors: | Mo, Y.D, Swairjo, M.A, Li, C.W, Head, J.F, Seaton, B.A. | Deposit date: | 1998-05-04 | Release date: | 1998-11-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mutational and crystallographic analyses of interfacial residues in annexin V suggest direct interactions with phospholipid membrane components. Biochemistry, 37, 1998
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1IE5
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![BU of 1ie5 by Molmil](/molmil-images/mine/1ie5) | NMR STRUCTURE OF THE THIRD IMMUNOGLOBULIN DOMAIN FROM THE NEURAL CELL ADHESION MOLECULE. | Descriptor: | NEURAL CELL ADHESION MOLECULE | Authors: | Atkins, A.R, Chung, J, Deechongkit, S, Little, E.B, Edelman, G.M, Wright, P.E, Cunningham, B.A, Dyson, H.J. | Deposit date: | 2001-04-06 | Release date: | 2001-08-08 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of the third immunoglobulin domain of the neural cell adhesion molecule N-CAM: can solution studies define the mechanism of homophilic binding? J.Mol.Biol., 311, 2001
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1EON
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![BU of 1eon by Molmil](/molmil-images/mine/1eon) | ECORV BOUND TO 3'-S-PHOSPHOROTHIOLATE DNA AND CA2+ | Descriptor: | ACETIC ACID, CHLORIDE ION, DNA (5'-D(*AP*AP*AP*GP*AP*(TSP)P*AP*TP*CP*TP*T)-3'), ... | Authors: | Horton, N.C, Connolly, B.A, Perona, J.J. | Deposit date: | 2000-03-23 | Release date: | 2000-04-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Inhibition of EcoRV Endonuclease by Deoxyribo-3'-S-phosphorothiolates: A High-Resolution X-ray Crystallographic Study J.Am.Chem.Soc., 122, 2000
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1IF8
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![BU of 1if8 by Molmil](/molmil-images/mine/1if8) | Carbonic Anhydrase II Complexed With (S)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide | Descriptor: | (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Grzybowski, B.A, Ishchenko, A.V, Kim, C.-Y, Topalov, G, Chapman, R, Christianson, D.W, Whitesides, G.M, Shakhnovich, E.I. | Deposit date: | 2001-04-12 | Release date: | 2001-05-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Combinatorial computational method gives new picomolar ligands for a known enzyme. Proc.Natl.Acad.Sci.USA, 99, 2002
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1PND
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![BU of 1pnd by Molmil](/molmil-images/mine/1pnd) | |
3EA2
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![BU of 3ea2 by Molmil](/molmil-images/mine/3ea2) | Crystal Structure of the Myo-inositol bound Y247S/Y251S Mutant of Phosphatidylinositol-Specific Phospholipase C from Bacillus Thuringiensis | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, ZINC ION | Authors: | Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F. | Deposit date: | 2008-08-24 | Release date: | 2009-04-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Modulation of bacillus thuringiensis phosphatidylinositol-specific phospholipase C activity by mutations in the putative dimerization interface. J.Biol.Chem., 284, 2009
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1QRK
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![BU of 1qrk by Molmil](/molmil-images/mine/1qrk) | HUMAN FACTOR XIII WITH STRONTIUM BOUND IN THE ION SITE | Descriptor: | PROTEIN (COAGULATION FACTOR XIII), STRONTIUM ION | Authors: | Fox, B.A, Yee, V.C, Pederson, L.C, Le Trong, I, Bishop, P.D, Stenkamp, R.E, Teller, D.C. | Deposit date: | 1999-06-14 | Release date: | 1999-07-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of the calcium binding site and a novel ytterbium site in blood coagulation factor XIII by x-ray crystallography. J.Biol.Chem., 274, 1999
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1JEN
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![BU of 1jen by Molmil](/molmil-images/mine/1jen) | HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE | Descriptor: | PROTEIN (S-ADENOSYLMETHIONINE DECARBOXYLASE (ALPHA CHAIN)), PROTEIN (S-ADENOSYLMETHIONINE DECARBOXYLASE (BETA CHAIN)) | Authors: | Ekstrom, J.L, Mathews, I.I, Stanley, B.A, Pegg, A.E, Ealick, S.E. | Deposit date: | 1999-02-23 | Release date: | 1999-06-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The crystal structure of human S-adenosylmethionine decarboxylase at 2.25 A resolution reveals a novel fold. Structure Fold.Des., 7, 1999
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1JD5
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![BU of 1jd5 by Molmil](/molmil-images/mine/1jd5) | Crystal Structure of DIAP1-BIR2/GRIM | Descriptor: | APOPTOSIS 1 INHIBITOR, ZINC ION, cell death protein GRIM | Authors: | Wu, J.W, Cocina, A.E, Chai, J, Hay, B.A, Shi, Y. | Deposit date: | 2001-06-12 | Release date: | 2001-12-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of a functional DIAP1 fragment bound to grim and hid peptides. Mol.Cell, 8, 2001
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1SLF
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![BU of 1slf by Molmil](/molmil-images/mine/1slf) | |
1SLG
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![BU of 1slg by Molmil](/molmil-images/mine/1slg) | STREPTAVIDIN, PH 5.6, BOUND TO PEPTIDE FCHPQNT | Descriptor: | FCHPQNT, STREPTAVIDIN | Authors: | Katz, B.A. | Deposit date: | 1995-03-10 | Release date: | 1996-04-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Binding to protein targets of peptidic leads discovered by phage display: crystal structures of streptavidin-bound linear and cyclic peptide ligands containing the HPQ sequence Biochemistry, 34, 1995
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1SLE
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![BU of 1sle by Molmil](/molmil-images/mine/1sle) | STREPTAVIDIN, PH 5.0, BOUND TO CYCLIC PEPTIDE AC-CHPQGPPC-NH2 | Descriptor: | AC-CHPQGPPC-NH2, STREPTAVIDIN | Authors: | Katz, B.A. | Deposit date: | 1995-03-10 | Release date: | 1996-04-03 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding to protein targets of peptidic leads discovered by phage display: crystal structures of streptavidin-bound linear and cyclic peptide ligands containing the HPQ sequence Biochemistry, 34, 1995
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1SLD
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![BU of 1sld by Molmil](/molmil-images/mine/1sld) | |
1EO3
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![BU of 1eo3 by Molmil](/molmil-images/mine/1eo3) | INHIBITION OF ECORV ENDONUCLEASE BY DEOXYRIBO-3'-S-PHOSPHOROTHIOLATES: A HIGH RESOLUTION X-RAY CRYSTALLOGRAPHIC STUDY | Descriptor: | ACETIC ACID, DNA (5'-D(*CP*AP*AP*GP*AP*(TSP)P*AP*TP*CP*TP*T)-3'), MAGNESIUM ION, ... | Authors: | Horton, N.C, Connolly, B.A, Perona, J.J. | Deposit date: | 2000-03-21 | Release date: | 2000-04-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of EcoRV Endonuclease by Deoxyribo-3'-S-phosphorothiolates: A High-Resolution X-ray Crystallographic Study J.Am.Chem.Soc., 122, 2000
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1EO4
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![BU of 1eo4 by Molmil](/molmil-images/mine/1eo4) | ECORV BOUND TO MN2+ AND COGNATE DNA CONTAINING A 3'S SUBSTITION AT THE CLEAVAGE SITE | Descriptor: | ACETIC ACID, DNA (5'-D(*CP*AP*AP*GP*AP*(TSP)P*AP*TP*CP*TP*T)-3'), MANGANESE (II) ION, ... | Authors: | Horton, N.C, Connolly, B.A, Perona, J.J. | Deposit date: | 2000-03-21 | Release date: | 2000-04-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibition of EcoRV Endonuclease by Deoxyribo-3'-S-phosphorothiolates: A High-Resolution X-ray Crystallographic Study J.Am.Chem.Soc., 122, 2000
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7PHJ
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![BU of 7phj by Molmil](/molmil-images/mine/7phj) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-08-17 | Release date: | 2022-09-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
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7PKM
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![BU of 7pkm by Molmil](/molmil-images/mine/7pkm) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[2-methyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-08-25 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
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