2CNF
 
 | | Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B | | Descriptor: | (5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN-3-ONE 1,1-DIOXIDE, MAGNESIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | | Authors: | Ala, P.J, Gonneville, L, Hillman, M, Becker-Pasha, M, Yue, E.W, Douty, B, Wayland, B, Polam, P, Crawley, M.L, McLaughlin, E, Sparks, R.B, Glass, B, Takvorian, A, Combs, A.P, Burn, T.C, Hollis, G.F, Wynn, R. | | Deposit date: | 2006-05-21 | | Release date: | 2006-09-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B.
J.Biol.Chem., 281, 2006
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1F0G
 | | Cecropin A(1-8)-magainin 2(1-12) L2 in dodecylphosphocholine micelles | | Descriptor: | CECROPIN A-MAGAININ 2 HYBRID PEPTIDE | | Authors: | Oh, D, Shin, S.Y, Lee, S, Kim, Y. | | Deposit date: | 2000-05-16 | | Release date: | 2000-06-14 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Role of the hinge region and the tryptophan residue in the synthetic antimicrobial peptides, cecropin A(1-8)-magainin 2(1-12) and its analogues, on their antibiotic activities and structures.
Biochemistry, 39, 2000
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1F0D
 | | Cecropin A(1-8)-magainin 2(1-12) in dodecylphosphocholine micelles | | Descriptor: | CECROPIN A-MAGAININ 2 HYBRID PEPTIDE | | Authors: | Oh, D, Shin, S.Y, Lee, S, Kim, Y. | | Deposit date: | 2000-05-16 | | Release date: | 2000-06-14 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Role of the hinge region and the tryptophan residue in the synthetic antimicrobial peptides, cecropin A(1-8)-magainin 2(1-12) and its analogues, on their antibiotic activities and structures.
Biochemistry, 39, 2000
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1Z2N
 | | Inositol 1,3,4-trisphosphate 5/6-kinase complexed Mg2+/ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, inositol 1,3,4-trisphosphate 5/6-kinase | | Authors: | Miller, G.J, Wilson, M.P, Majerus, P.W, Hurley, J.H. | | Deposit date: | 2005-03-08 | | Release date: | 2005-04-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Specificity determinants in inositol polyphosphate synthesis: crystal structure of inositol 1,3,4-trisphosphate 5/6-kinase.
Mol.Cell, 18, 2005
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1F0F
 | | Cecropin A(1-8)-magainin 2(1-12) gig deletion modification in dodecylphosphocholine micelles | | Descriptor: | CECROPIN A-MAGAININ 2 HYBRID PEPTIDE | | Authors: | Oh, D, Shin, S.Y, Lee, S, Kim, Y. | | Deposit date: | 2000-05-16 | | Release date: | 2000-06-14 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Role of the hinge region and the tryptophan residue in the synthetic antimicrobial peptides, cecropin A(1-8)-magainin 2(1-12) and its analogues, on their antibiotic activities and structures.
Biochemistry, 39, 2000
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1F0H
 | | Cecropin A(1-8)-magainin 2(1-12) A2 in dodecylphosphocholine micelles | | Descriptor: | CECROPIN A-MAGAININ 2 HYBRID PEPTIDE | | Authors: | Oh, D, Shin, S.Y, Lee, S, Kim, Y. | | Deposit date: | 2000-05-16 | | Release date: | 2000-06-14 | | Last modified: | 2021-11-03 | | Method: | SOLUTION NMR | | Cite: | Role of the hinge region and the tryptophan residue in the synthetic antimicrobial peptides, cecropin A(1-8)-magainin 2(1-12) and its analogues, on their antibiotic activities and structures.
Biochemistry, 39, 2000
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2CNE
 | | Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B | | Descriptor: | N-({4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}ACETYL)-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE, SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1, ... | | Authors: | Ala, P.J, Gonneville, L, Hillman, M, Becker-Pasha, M, Yue, E.W, Douty, B, Wayland, B, Polam, P, Crawley, M.L, McLaughlin, E, Sparks, R.B, Glass, B, Takvorian, A, Combs, A.P, Burn, T.C, Hollis, G.F, Wynn, R. | | Deposit date: | 2006-05-21 | | Release date: | 2006-09-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B.
J.Biol.Chem., 281, 2006
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1AJL
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2CNG
 | | Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B | | Descriptor: | GLYCEROL, MAGNESIUM ION, N-{(1S)-2-{4-[(5R)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-1-[5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-YL]ETHYL}-2,2,2-TRIFLUOROACETAMIDE, ... | | Authors: | Ala, P.J, Gonneville, L, Hillman, M, Becker-Pasha, M, Yue, E.W, Douty, B, Wayland, B, Polam, P, Crawley, M.L, McLaughlin, E, Sparks, R.B, Glass, B, Takvorian, A, Combs, A.P, Burn, T.C, Hollis, G.F, Wynn, R. | | Deposit date: | 2006-05-21 | | Release date: | 2006-09-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B.
J.Biol.Chem., 281, 2006
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1Z2O
 | | Inositol 1,3,4-trisphosphate 5/6-Kinase in complex with mg2+/ADP/Ins(1,3,4,6)P4 | | Descriptor: | (1S,3R,4R,6S)-1,3,4,6-TETRAPKISPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Miller, G.J, Wilson, M.P, Majerus, P.W, Hurley, J.H. | | Deposit date: | 2005-03-08 | | Release date: | 2005-04-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Specificity determinants in inositol polyphosphate synthesis: crystal structure of inositol 1,3,4-trisphosphate 5/6-kinase.
Mol.Cell, 18, 2005
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2M0N
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3I25
 | | Potent Beta-Secretase 1 hydroxyethylene Inhibitor | | Descriptor: | Beta-secretase 1, N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | Authors: | Lindberg, J.D, Borkakoti, N, Nystrom, S. | | Deposit date: | 2009-06-29 | | Release date: | 2010-06-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of potent BACE-1 inhibitors containing a new hydroxyethylene (HE) scaffold: exploration of P1' alkoxy residues and an aminoethylene (AE) central core
Bioorg.Med.Chem., 18, 2010
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1CA6
 | | INTERCALATION SITE OF HYPERTHERMOPHILE CHROMOSOMAL PROTEIN SSO7D/SAC7D BOUND TO DNA | | Descriptor: | 5'-D(*GP*TP*GP*AP*TP*CP*GP*C)-3', CHROMOSOMAL PROTEIN SAC7D | | Authors: | Su, S, Gao, Y.-G, Robinson, H, Shriver, J.W, Wang, A.H.-J. | | Deposit date: | 1999-02-23 | | Release date: | 2000-02-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of the chromosomal proteins Sso7d/Sac7d bound to DNA containing T-G mismatched base-pairs
J.Mol.Biol., 303, 2000
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4OC8
 | | DNA modification-dependent restriction endonuclease AspBHI | | Descriptor: | PHOSPHATE ION, restriction endonuclease AspBHI | | Authors: | Horton, J.R. | | Deposit date: | 2014-01-08 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.884 Å) | | Cite: | Structure and mutagenesis of the DNA modification-dependent restriction endonuclease AspBHI.
Sci Rep, 4, 2014
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7RXH
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1SOR
 | | Aquaporin-0 membrane junctions reveal the structure of a closed water pore | | Descriptor: | Aquaporin-0 | | Authors: | Gonen, T, Sliz, P, Kistler, J, Cheng, Y, Walz, T. | | Deposit date: | 2004-03-15 | | Release date: | 2004-05-11 | | Last modified: | 2023-08-23 | | Method: | ELECTRON CRYSTALLOGRAPHY (3 Å) | | Cite: | Aquaporin-0 membrane junctions reveal the structure of a closed water pore
Nature, 429, 2004
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5DWZ
 | | Structural and functional characterization of PqsBC, a condensing enzyme in the biosynthesis of the Pseudomonas aeruginosa quinolone signal | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-oxoacyl-(Acyl carrier protein) synthase III, 3-oxoacyl-[acyl-carrier-protein] synthase 3, ... | | Authors: | Drees, S.L, Li, C, Prasetya, F, Saleem, M, Dreveny, I, Hennecke, U, Williams, P, Emsley, J, Fetzner, S. | | Deposit date: | 2015-09-23 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | PqsBC, a Condensing Enzyme in the Biosynthesis of the Pseudomonas aeruginosa Quinolone Signal: CRYSTAL STRUCTURE, INHIBITION, AND REACTION MECHANISM.
J.Biol.Chem., 291, 2016
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5RKZ
 | | PanDDA analysis group deposition of ground-state model of human NUDT22 screened against the DSPL fragment library by X-ray Crystallography | | Descriptor: | DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22 | | Authors: | Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M. | | Deposit date: | 2020-06-19 | | Release date: | 2020-07-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
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5E3A
 | | Structure of human DPP3 in complex with opioid peptide leu-enkephalin | | Descriptor: | Dipeptidyl peptidase 3, Leu-enkephalin, MAGNESIUM ION, ... | | Authors: | Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K. | | Deposit date: | 2015-10-02 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
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2WBC
 | | REFINED CRYSTAL STRUCTURE (2.3 ANGSTROM) OF A WINGED BEAN CHYMOTRYPSIN INHIBITOR AND LOCATION OF ITS SECOND REACTIVE SITE | | Descriptor: | CHYMOTRYPSIN INHIBITOR | | Authors: | Dattagupta, J.K, Podder, A, Chakrabarti, C, Sen, U, Mukhopadhyay, D, Dutta, S.K, Singh, M. | | Deposit date: | 1997-11-26 | | Release date: | 1998-02-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Refined crystal structure (2.3 A) of a double-headed winged bean alpha-chymotrypsin inhibitor and location of its second reactive site.
Proteins, 35, 1999
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5DQY
 | | A fully oxidized human thioredoxin | | Descriptor: | BENZOIC ACID, CHLORIDE ION, GLYCEROL, ... | | Authors: | Hwang, J. | | Deposit date: | 2015-09-15 | | Release date: | 2015-12-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of fully oxidized human thioredoxin.
Biochem.Biophys.Res.Commun., 467, 2015
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5E9K
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1PCZ
 | | STRUCTURE OF TATA-BINDING PROTEIN | | Descriptor: | TATA-BINDING PROTEIN | | Authors: | Dedecker, B.S, Sigler, P.B. | | Deposit date: | 1996-10-04 | | Release date: | 1997-01-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of a hyperthermophilic archaeal TATA-box binding protein.
J.Mol.Biol., 264, 1996
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4CSR
 | | High resolution crystal structure of the histone fold dimer (NF-YB)-(NF-YC) | | Descriptor: | GLYCEROL, NUCLEAR TRANSCRIPTION FACTOR Y SUBUNIT BETA, NUCLEAR TRANSCRIPTION FACTOR Y SUBUNIT GAMMA | | Authors: | Gnesutta, N, Cocolo, S, Mantovani, R, Bolognesi, M, Nardini, M. | | Deposit date: | 2014-03-09 | | Release date: | 2015-03-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | High Resolution Crystal Structure of the Histone Fold Dimer (NF-Yb)-(NF-Yc)
To be Published
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5DTK
 | | Fragments bound to the OXA-48 beta-lactamase: Compound 17 | | Descriptor: | 1,2-ETHANEDIOL, 3,5-di(pyridin-4-yl)benzoic acid, Beta-lactamase, ... | | Authors: | Lund, B.A, Christopeit, T, Leiros, H.-K.S. | | Deposit date: | 2015-09-18 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.60000241 Å) | | Cite: | Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
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