4AKS
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![BU of 4aks by Molmil](/molmil-images/mine/4aks) | PatG macrocyclase domain | Descriptor: | THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE | Authors: | Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H. | Deposit date: | 2012-02-28 | Release date: | 2012-07-18 | Last modified: | 2013-11-06 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain. Nat.Struct.Mol.Biol., 19, 2012
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3ZXY
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![BU of 3zxy by Molmil](/molmil-images/mine/3zxy) | Structure of S218A mutant of the protease domain of PatA | Descriptor: | SUBTILISIN-LIKE PROTEIN | Authors: | Koehnke, J, Zollman, D, Vendome, J, Raab, A, Houssen, W.E, Smith, M.C, Jaspars, M, Naismith, J.H. | Deposit date: | 2011-08-16 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | The Discovery of New Cyanobactins from Cyanothece Pcc 7425 Defines a New Signature for Processing of Patellamides. Chembiochem, 13, 2012
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3ZXX
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![BU of 3zxx by Molmil](/molmil-images/mine/3zxx) | Structure of self-cleaved protease domain of PatA | Descriptor: | SUBTILISIN-LIKE PROTEIN | Authors: | Koehnke, J, Zollman, D, Vendome, J, Raab, A, Houssen, W.E, Smith, M.C, Jaspars, M, Naismith, J.H. | Deposit date: | 2011-08-16 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Discovery of New Cyanobactins from Cyanothece Pcc 7425 Defines a New Signature for Processing of Patellamides. Chembiochem, 13, 2012
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1LP9
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![BU of 1lp9 by Molmil](/molmil-images/mine/1lp9) | Xenoreactive complex AHIII 12.2 TCR bound to p1049/HLA-A2.1 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Buslepp, J, Wang, H, Biddison, W.E, Appella, E, Collins, E.J. | Deposit date: | 2002-05-07 | Release date: | 2003-11-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A correlation between TCR Valpha docking on MHC and CD8 dependence: implications for T cell selection. Immunity, 19, 2003
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3WZ8
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![BU of 3wz8 by Molmil](/molmil-images/mine/3wz8) | Endothiapepsin in complex with Gewald reaction-derived inhibitor (8) | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Kuhnert, M, Steuber, H, Diederich, W.E. | Deposit date: | 2014-09-19 | Release date: | 2015-08-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors Angew.Chem.Int.Ed.Engl., 54, 2015
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4AKT
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![BU of 4akt by Molmil](/molmil-images/mine/4akt) | PatG macrocyclase in complex with peptide | Descriptor: | SUBSTRATE ANALOGUE, THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE | Authors: | Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H. | Deposit date: | 2012-02-28 | Release date: | 2012-07-18 | Last modified: | 2013-11-06 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain. Nat.Struct.Mol.Biol., 19, 2012
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3WZ6
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![BU of 3wz6 by Molmil](/molmil-images/mine/3wz6) | Endothiapepsin in complex with Gewald reaction-derived inhibitor (5) | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kuhnert, M, Steuber, H, Diederich, W.E. | Deposit date: | 2014-09-19 | Release date: | 2015-08-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.404 Å) | Cite: | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors Angew.Chem.Int.Ed.Engl., 54, 2015
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3DL5
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![BU of 3dl5 by Molmil](/molmil-images/mine/3dl5) | Crystal Structure of the A287F Active Site Mutant of TS-DHFR from Cryptosporidium hominis | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DIHYDROFOLIC ACID, ... | Authors: | Vargo, M.A, Martucci, W.E, Anderson, K.S. | Deposit date: | 2008-06-26 | Release date: | 2008-08-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Explaining an unusually fast parasitic enzyme: folate tail-binding residues dictate substrate positioning and catalysis in Cryptosporidium hominis thymidylate synthase. Biochemistry, 47, 2008
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1AO7
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![BU of 1ao7 by Molmil](/molmil-images/mine/1ao7) | COMPLEX BETWEEN HUMAN T-CELL RECEPTOR, VIRAL PEPTIDE (TAX), AND HLA-A 0201 | Descriptor: | BETA-2 MICROGLOBULIN, ETHYL MERCURY ION, HLA-A 0201, ... | Authors: | Garboczi, D.N, Ghosh, P, Utz, U, Fan, Q.R, Biddison, W.E, Wiley, D.C. | Deposit date: | 1997-07-21 | Release date: | 1997-09-17 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the complex between human T-cell receptor, viral peptide and HLA-A2. Nature, 384, 1996
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1LV0
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![BU of 1lv0 by Molmil](/molmil-images/mine/1lv0) | Crystal structure of the Rab effector guanine nucleotide dissociation inhibitor (GDI) in complex with a geranylgeranyl (GG) peptide | Descriptor: | GERAN-8-YL GERAN, RAB GDP disossociation inhibitor alpha, SULFATE ION | Authors: | An, Y, Shao, Y, Alory, C, Matteson, J, Sakisaka, T, Chen, W, Gibbs, R.A, Wilson, I.A, Balch, W.E. | Deposit date: | 2002-05-23 | Release date: | 2003-08-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Geranylgeranyl switching regulates GDI-Rab GTPase recycling. Structure, 11, 2003
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1CDM
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![BU of 1cdm by Molmil](/molmil-images/mine/1cdm) | |
1MFP
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![BU of 1mfp by Molmil](/molmil-images/mine/1mfp) | E. coli Enoyl Reductase in complex with NAD and SB611113 | Descriptor: | (E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | Authors: | Seefeld, M.A, Miller, W.H, Newlander, K.A, Burgess, W.J, DeWolf Jr, W.E, Elkins, P.A, Head, M.S, Jakas, D.R, Janson, C.A, Keller, P.M, Manley, P.J, Moore, T.D, Payne, D.J, Pearson, S, Polizzi, B.J, Qiu, X, Rittenhouse, S.F, Uzinskas, I.N, Wallis, N.G, Huffman, W.F. | Deposit date: | 2002-08-13 | Release date: | 2003-05-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Indole Naphthyridinones as Inhibitors of Bacterial Enoyl-ACP Reductases FabI and FabK J.MED.CHEM., 46, 2003
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2AV0
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![BU of 2av0 by Molmil](/molmil-images/mine/2av0) | F97L with CO bound | Descriptor: | CARBON MONOXIDE, Globin I, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Knapp, J.E, Bonham, M.A, Gibson, Q.H, Nichols, J.C, Royer Jr, W.E. | Deposit date: | 2005-08-29 | Release date: | 2006-03-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Residue F4 plays a key role in modulating oxygen affinity and cooperativity in Scapharca dimeric hemoglobin Biochemistry, 44, 2005
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1QQP
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![BU of 1qqp by Molmil](/molmil-images/mine/1qqp) | FOOT-AND-MOUTH DISEASE VIRUS/ OLIGOSACCHARIDE RECEPTOR COMPLEX. | Descriptor: | 2-O-sulfo-alpha-L-gulopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-gulopyranuronic acid, PROTEIN (GENOME POLYPROTEIN) | Authors: | Fry, E.E, Lea, S.M, Jackson, T, Newman, J.W.I, Ellard, F.M, Blakemore, W.E, Abu-Ghazaleh, R, Samuel, A, King, A.M.Q, Stuart, D.I. | Deposit date: | 1999-05-20 | Release date: | 1999-06-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structure and function of a foot-and-mouth disease virus-oligosaccharide receptor complex. EMBO J., 18, 1999
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1O0S
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![BU of 1o0s by Molmil](/molmil-images/mine/1o0s) | Crystal Structure of Ascaris suum Malic Enzyme Complexed with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, NAD-dependent malic enzyme, TARTRONATE | Authors: | Rao, G.S, Coleman, D.E, Karsten, W.E, Cook, P.F, Harris, B.G. | Deposit date: | 2003-02-24 | Release date: | 2003-07-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic studies on Ascaris suum NAD-malic enzyme bound to reduced cofactor and identification of an effector site. J.Biol.Chem., 278, 2003
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1QRN
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![BU of 1qrn by Molmil](/molmil-images/mine/1qrn) | CRYSTAL STRUCTURE OF HUMAN A6 TCR COMPLEXED WITH HLA-A2 BOUND TO ALTERED HTLV-1 TAX PEPTIDE P6A | Descriptor: | BETA-2 MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA CHAIN, ... | Authors: | Ding, Y.H, Baker, B.M, Garboczi, D.N, Biddison, W.E, Wiley, D.C. | Deposit date: | 1999-06-14 | Release date: | 1999-10-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Four A6-TCR/peptide/HLA-A2 structures that generate very different T cell signals are nearly identical. Immunity, 11, 1999
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1PGY
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![BU of 1pgy by Molmil](/molmil-images/mine/1pgy) | Solution structure of the UBA domain in Saccharomyces cerevisiae protein, Swa2p | Descriptor: | Swa2p | Authors: | Chim, N, Gall, W.E, Xiao, J, Harris, M.P, Graham, T.R, Krezel, A.M. | Deposit date: | 2003-05-28 | Release date: | 2004-03-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the ubiquitin-binding domain in Swa2p from Saccharomyces cerevisiae. PROTEINS: STRUCT.,FUNCT.,GENET., 54, 2004
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1CDL
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![BU of 1cdl by Molmil](/molmil-images/mine/1cdl) | |
1AQW
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![BU of 1aqw by Molmil](/molmil-images/mine/1aqw) | GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE | Authors: | Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W. | Deposit date: | 1997-08-03 | Release date: | 1998-03-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor. Structure, 5, 1997
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1D5T
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![BU of 1d5t by Molmil](/molmil-images/mine/1d5t) | GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR, ALPHA-ISOFORM | Descriptor: | GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR, SULFATE ION | Authors: | Peng, L, Zeng, K, Heine, A, Moyer, B, Greasley, S.E, Kuhn, P, Balch, W.E, Wilson, I.A. | Deposit date: | 1999-10-11 | Release date: | 2000-10-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | A new functional domain of guanine nucleotide dissociation inhibitor (alpha-GDI) involved in Rab recycling. Traffic, 1, 2000
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1AQX
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![BU of 1aqx by Molmil](/molmil-images/mine/1aqx) | GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH MEISENHEIMER COMPLEX | Descriptor: | 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE | Authors: | Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W. | Deposit date: | 1997-08-03 | Release date: | 1998-03-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor. Structure, 5, 1997
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1DPJ
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![BU of 1dpj by Molmil](/molmil-images/mine/1dpj) | THE STRUCTURE OF PROTEINASE A COMPLEXED WITH IA3 PEPTIDE INHIBITOR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEINASE A, PROTEINASE INHIBITOR IA3 PEPTIDE, ... | Authors: | Li, M, Phylip, H.L, Lees, W.E, Winther, J.R, Dunn, B.M, Wlodawer, A, Kay, J, Guschina, A. | Deposit date: | 1999-12-27 | Release date: | 2000-05-03 | Last modified: | 2021-07-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The aspartic proteinase from Saccharomyces cerevisiae folds its own inhibitor into a helix. Nat.Struct.Biol., 7, 2000
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1DJR
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![BU of 1djr by Molmil](/molmil-images/mine/1djr) | HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH M-CARBOXYPHENYL-ALPHA-D-GALACTOSE | Descriptor: | BENZOIC ACID, GLYCEROL, HEAT-LABILE ENTEROTOXIN, ... | Authors: | Minke, W.E, Pickens, J, Merritt, E.A, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 1999-12-03 | Release date: | 2000-06-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of m-carboxyphenyl-alpha-D-galactopyranoside complexed to heat-labile enterotoxin at 1.3 A resolution: surprising variations in ligand-binding modes. Acta Crystallogr.,Sect.D, 56, 2000
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1DP5
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![BU of 1dp5 by Molmil](/molmil-images/mine/1dp5) | THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT INHIBITOR | Descriptor: | PROTEINASE A, PROTEINASE INHIBITOR IA3, beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Li, M, Phylip, H.L, Lees, W.E, Winther, J.R, Dunn, B.M, Wlodawer, A, Kay, J, Guschina, A. | Deposit date: | 1999-12-23 | Release date: | 2000-05-03 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The aspartic proteinase from Saccharomyces cerevisiae folds its own inhibitor into a helix. Nat.Struct.Biol., 7, 2000
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1DUZ
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![BU of 1duz by Molmil](/molmil-images/mine/1duz) | HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A 0201) IN COMPLEX WITH A NONAMERIC PEPTIDE FROM HTLV-1 TAX PROTEIN | Descriptor: | BETA-2 MICROGLOBULIN, HLA-A*0201, HTLV-1 OCTAMERIC TAX PEPTIDE | Authors: | Khan, A.R, Baker, B.M, Ghosh, P, Biddison, W.E, Wiley, D.C. | Deposit date: | 2000-01-19 | Release date: | 2000-02-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structure and stability of an HLA-A*0201/octameric tax peptide complex with an empty conserved peptide-N-terminal binding site. J.Immunol., 164, 2000
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