4TQO
 
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1W5V
 | | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | | Descriptor: | HIV-1 PROTEASE, N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | | Deposit date: | 2004-08-10 | | Release date: | 2004-12-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
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2Y2Q
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (Z06) | | Descriptor: | (3-acetamido-5-carboxy-phenyl)-trihydroxy-boron, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | | Deposit date: | 2010-12-15 | | Release date: | 2011-08-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
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4TQH
 | | Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)ethanoic acid | | Descriptor: | 1,2-ETHANEDIOL, Transthyretin, [(9H-fluoren-9-ylideneamino)oxy]acetic acid | | Authors: | Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | | Deposit date: | 2014-06-11 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.511 Å) | | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
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3DLL
 | | The oxazolidinone antibiotics perturb the ribosomal peptidyl-transferase center and effect tRNA positioning | | Descriptor: | 50S ribosomal protein L11, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Wilson, D.N, Schluenzen, F, Harms, J.M, Starosta, A.L, Connell, S.R, Fucini, P. | | Deposit date: | 2008-06-27 | | Release date: | 2008-09-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | The oxazolidinone antibiotics perturb the ribosomal peptidyl-transferase center and effect tRNA positioning
Proc.Natl.Acad.Sci.Usa, 105, 2008
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2Y2O
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (EO9) | | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | | Deposit date: | 2010-12-15 | | Release date: | 2011-08-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
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1W6I
 | | plasmepsin II-pepstatin A complex | | Descriptor: | PEPSTATIN, PLASMEPSIN 2 PRECURSOR | | Authors: | Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T. | | Deposit date: | 2004-08-18 | | Release date: | 2006-07-05 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design
To be Published
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4TWV
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4U9R
 | | Structure of the N-terminal Extension from Cupriavidus metallidurans CzcP | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, CADMIUM ION, CzcP cation efflux P1-ATPase | | Authors: | Smith, A.T, Rosenzweig, A.C. | | Deposit date: | 2014-08-06 | | Release date: | 2015-07-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | A new metal binding domain involved in cadmium, cobalt and zinc transport.
Nat.Chem.Biol., 11, 2015
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1HKF
 | | The three dimensional structure of NK cell receptor Nkp44, a triggering partner in natural cytotoxicity | | Descriptor: | NK CELL ACTIVATING RECEPTOR | | Authors: | Ponassi, M, Cantoni, C, Biassoni, R, Conte, R, Spallarossa, A, Moretta, A, Moretta, L, Bolognesi, M, Bordo, D. | | Deposit date: | 2003-03-10 | | Release date: | 2003-06-11 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Three-Dimensional Structure of the Human Nk Cell Receptor Nkp44, a Triggering Partner in Natural Cytotoxicity
Structure, 11, 2003
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1W5Y
 | | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | | Descriptor: | (2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXANEDIAMIDE, POL POLYPROTEIN | | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | | Deposit date: | 2004-08-10 | | Release date: | 2004-10-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
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4LED
 | | The Crystal Structure of Pyocin L1 bound to D-rhamnose at 2.37 Angstroms | | Descriptor: | Pyocin L1, alpha-D-rhamnopyranose | | Authors: | Grinter, R, Roszak, A.W, Mccaughey, L, Cogdell, C.J, Walker, D. | | Deposit date: | 2013-06-25 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Lectin-Like Bacteriocins from Pseudomonas spp. Utilise D-Rhamnose Containing Lipopolysaccharide as a Cellular Receptor.
Plos Pathog., 10, 2014
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2Y2G
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (A01) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ... | | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | | Deposit date: | 2010-12-15 | | Release date: | 2011-08-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
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4N58
 | | Crystal Structure of Pectocin M2 at 1.86 Angstroms | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Grinter, R, Roszak, A.W, Zeth, K, Cogdell, C.J, Walker, D. | | Deposit date: | 2013-10-09 | | Release date: | 2014-06-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure of the atypical bacteriocin pectocin M2 implies a novel mechanism of protein uptake.
Mol.Microbiol., 93, 2014
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2Y2N
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (E07) | | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | | Deposit date: | 2010-12-15 | | Release date: | 2011-08-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
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1IBZ
 | | RED COPPER PROTEIN NITROSOCYANIN FROM NITROSOMONAS EUROPAEA | | Descriptor: | COPPER (II) ION, NITROSOCYANIN | | Authors: | Lieberman, R.L, Arciero, D.M, Hooper, A.B, Rosenzweig, A.C. | | Deposit date: | 2001-03-29 | | Release date: | 2001-06-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a novel red copper protein from Nitrosomonas europaea.
Biochemistry, 40, 2001
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2Y2I
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA3) | | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | | Deposit date: | 2010-12-15 | | Release date: | 2011-08-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
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2Y2J
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA4) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ... | | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | | Deposit date: | 2010-12-15 | | Release date: | 2011-08-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol, 6, 2011
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4V48
 | | Real space refined coordinates of the 30S and 50S subunits fitted into the low resolution cryo-EM map of the initiation-like state of E. coli 70S ribosome | | Descriptor: | 16S RIBOSOMAL RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ... | | Authors: | Gao, H, Sengupta, J, Valle, M, Korostelev, A, Eswar, N, Stagg, S.M, Van Roey, P, Agrawal, R.K, Harvey, S.T, Sali, A, Chapman, M.S, Frank, J. | | Deposit date: | 2003-05-06 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (11.5 Å) | | Cite: | Study of the structural dynamics of the E. coli 70S ribosome using real space refinement
Cell(Cambridge,Mass.), 113, 2003
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3CJK
 | | Crystal structure of the adduct HAH1-Cd(II)-MNK1. | | Descriptor: | CADMIUM ION, Copper transport protein ATOX1, Copper-transporting ATPase 1 | | Authors: | Banci, L, Bertini, I, Calderone, V, Felli, I, Della-Malva, N, Pavelkova, A, Rosato, A. | | Deposit date: | 2008-03-13 | | Release date: | 2008-12-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Copper(I)-mediated protein-protein interactions result from suboptimal interaction surfaces.
Biochem.J., 422, 2009
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2Y2H
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA2) | | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | | Deposit date: | 2010-12-15 | | Release date: | 2011-08-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
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2XYE
 | | HIV-1 Inhibitors with a Tertiary-Alcohol-containing Transition-State Mimic and various P2 and P1 prime Substituents | | Descriptor: | METHYL N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-DIMETHYL-1-METHYLAMINO-1-OXO-BUTAN-2-YL]AMINO]-4-HYDROXY-5-OXO-4-(PHENYLMETHYL)PENTYL]-2-[(4-PHENYLPHENYL)METHYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, PROTEASE | | Authors: | Ohrngren, P, Wu, X, Persson, M, Ekegren, J.K, Wallberg, H, Rosenquist, A, Samuelsson, B, Unge, T, Larhed, M. | | Deposit date: | 2010-11-17 | | Release date: | 2011-12-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | HIV-1 Protease Inhibitors with a Tertiary Alcohol Containing Transition-State Mimic and Various P2 and P1' Substituents
Med.Chem.Commun., 2, 2011
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4H2E
 | | Crystal structure of an MMP twin inhibitor complexing two MMP-9 catalytic domains | | Descriptor: | ACETATE ION, BICINE, CALCIUM ION, ... | | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Catalani, M.P, Dive, V, Rossello, A. | | Deposit date: | 2012-09-12 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
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4H84
 | | Crystal structure of the catalytic domain of Human MMP12 in complex with a selective carboxylate based inhibitor. | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Stura, E.A, Antoni, C, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | | Deposit date: | 2012-09-21 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.592 Å) | | Cite: | Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
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4LEA
 | | The Crystal Structure of Pyocin L1 bound to D-mannose at 2.55 Angstroms | | Descriptor: | Pyocin L1, beta-D-mannopyranose | | Authors: | Grinter, R, Roszak, A.W, Mccaughey, L, Cogdell, C.J, Walker, D. | | Deposit date: | 2013-06-25 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Lectin-Like Bacteriocins from Pseudomonas spp. Utilise D-Rhamnose Containing Lipopolysaccharide as a Cellular Receptor.
Plos Pathog., 10, 2014
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