1STY
 
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2K6T
 | | Solution structure of the relaxin-like factor | | Descriptor: | Insulin-like 3 A chain, Insulin-like 3 B chain | | Authors: | Bullesbach, E.E, Hass, M.A.S, Jensen, M.R, Hansen, D.F, Kristensen, S.M, Schwabe, C, Led, J.J. | | Deposit date: | 2008-07-23 | | Release date: | 2008-12-16 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a conformationally restricted fully active derivative of the human relaxin-like factor
Biochemistry, 47, 2008
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2KTZ
 | | Inhibitor Induced Structural Change in the HCV IRES Domain IIa RNA | | Descriptor: | (7R)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazol-2-amine, HCV IRES Domain IIa RNA | | Authors: | Paulsen, R.B, Seth, P.P, Swayze, E.E, Griffey, R.H, Skalicky, J.J, Cheatham III, T.E, Davis, D.R. | | Deposit date: | 2010-02-10 | | Release date: | 2010-04-28 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Inhibitor-induced structural change in the HCV IRES domain IIa RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
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2OHV
 | | Structural Basis for Glutamate Racemase Inhibition | | Descriptor: | (4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID, Glutamate Racemase | | Authors: | Kim, E.E. | | Deposit date: | 2007-01-10 | | Release date: | 2007-09-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for glutamate racemase inhibition
J.Mol.Biol., 372, 2007
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2OEO
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2OKL
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2OHG
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2OS1
 | | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes | | Descriptor: | ACTINONIN, NICKEL (II) ION, Peptide deformylase, ... | | Authors: | Kim, E.E, Kim, K.-H, Moon, J.H, Choi, K, Lee, H.K, Park, H.S. | | Deposit date: | 2007-02-05 | | Release date: | 2008-03-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes
To be Published
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2OS3
 | | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes | | Descriptor: | ACTINONIN, COBALT (II) ION, Peptide deformylase | | Authors: | Kim, E.E, Kim, K.-H, Moon, J.H, Choi, K, Lee, H.K, Parh, H.S. | | Deposit date: | 2007-02-05 | | Release date: | 2008-03-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes
To be Published
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2OS0
 | | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes | | Descriptor: | NICKEL (II) ION, Peptide deformylase, SULFATE ION | | Authors: | Kim, E.E, Kim, K.-H, Moon, J.H, Choi, K, Lee, H.K, Park, H.S. | | Deposit date: | 2007-02-05 | | Release date: | 2008-03-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes
To be Published
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2P85
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6QJS
 | | Crystal structure of a DNA dodecamer containing a tetramethylpiperidinoxyl (nitroxide) spin label | | Descriptor: | COBALT HEXAMMINE(III), DNA (5'-D(P*GP*CP*AP*AP*AP*TP*TP*(S6M)P*GP*CP*G)-3') | | Authors: | Hardwick, J.S, Haugland, M.M, Ptchelkine, D, Brown, T, Anderson, E.E. | | Deposit date: | 2019-01-24 | | Release date: | 2020-02-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 2'-Alkynyl spin-labelling is a minimally perturbing tool for DNA structural analysis.
Nucleic Acids Res., 48, 2020
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1AID
 | | STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN | | Descriptor: | 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL, CHLORIDE ION, HUMAN IMMUNODEFICIENCY VIRUS PROTEASE | | Authors: | Rutenber, E.E, Fauman, E.B, Keenan, R.J, Stroud, R.M. | | Deposit date: | 1997-04-16 | | Release date: | 1997-10-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design.
J.Biol.Chem., 268, 1993
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7AY8
 | | NMR solution structure of Tbo-IT2 | | Descriptor: | Tbo-IT2 | | Authors: | Mineev, K.S, Kornilov, F.D, Lushpa, V.A, Korolkova, Y.A, Maleeva, E.E, Andreev, Y.A, Kozlov, S.A, Arseniev, A.S. | | Deposit date: | 2020-11-11 | | Release date: | 2021-03-03 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | New Insectotoxin from Tibellus Oblongus Spider Venom Presents Novel Adaptation of ICK Fold.
Toxins, 13, 2021
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1BQ1
 | | E. COLI THYMIDYLATE SYNTHASE MUTANT N177A IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Reyes, C.L, Sage, C.R, Rutenber, E.E, Finer-Moore, J.S, Stroud, R.M. | | Deposit date: | 1998-08-20 | | Release date: | 1999-05-18 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Inactivity of N229A thymidylate synthase due to water-mediated effects: isolating a late stage in methyl transfer.
J.Mol.Biol., 284, 1998
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1CVX
 | | CRYSTAL STRUCTURE OF POLYAMIDE DIMER (IMPYHPPYBETADP)2 BOUND TO B-DNA DECAMER CCAGATCTGG | | Descriptor: | 5'-D(*CP*CP*AP*GP*AP*TP*CP*TP*GP*G)-3', HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDE | | Authors: | Kielkopf, C.L, Bremer, R.E, White, S, Baird, E.E, Dervan, P.B, Rees, D.C. | | Deposit date: | 1999-08-24 | | Release date: | 2000-01-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural effects of DNA sequence on T.A recognition by hydroxypyrrole/pyrrole pairs in the minor groove.
J.Mol.Biol., 295, 2000
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1CVY
 | | CRYSTAL STRUCTURE OF POLYAMIDE DIMER (IMPYPYPYBETADP)2 BOUND TO CCAGATCTGG | | Descriptor: | 5'-D(*CP*CP*AP*GP*AP*TP*CP*TP*GP*G)-3', IMIDAZOLE-PYRROLE POLYAMIDE | | Authors: | Kielkopf, C.L, Bremer, R.E, White, S, Baird, E.E, Dervan, P.B, Rees, D.C. | | Deposit date: | 1999-08-24 | | Release date: | 2000-01-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural effects of DNA sequence on T.A recognition by hydroxypyrrole/pyrrole pairs in the minor groove.
J.Mol.Biol., 295, 2000
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1CMY
 | | THE MUTATION BETA99 ASP-TYR STABILIZES Y-A NEW, COMPOSITE QUATERNARY STATE OF HUMAN HEMOGLOBIN | | Descriptor: | HEMOGLOBIN YPSILANTI (CARBONMONOXY) (ALPHA CHAIN), HEMOGLOBIN YPSILANTI (CARBONMONOXY) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Smith, F.R, Lattman, E.E, Carter Junior, C.W. | | Deposit date: | 1992-09-18 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The mutation beta 99 Asp-Tyr stabilizes Y--a new, composite quaternary state of human hemoglobin.
Proteins, 10, 1991
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1BQ2
 | | E. COLI THYMIDYLATE SYNTHASE MUTANT N177A | | Descriptor: | PHOSPHATE ION, THYMIDYLATE SYNTHASE | | Authors: | Reyes, C.L, Sage, C.R, Rutenber, E.E, Finer-Moore, J.S, Stroud, R.M. | | Deposit date: | 1998-08-20 | | Release date: | 1999-04-27 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inactivity of N229A thymidylate synthase due to water-mediated effects: isolating a late stage in methyl transfer.
J.Mol.Biol., 284, 1998
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1ENC
 | | CRYSTAL STRUCTURES OF THE BINARY CA2+ AND PDTP COMPLEXES AND THE TERNARY COMPLEX OF THE ASP 21->GLU MUTANT OF STAPHYLOCOCCAL NUCLEASE. IMPLICATIONS FOR CATALYSIS AND LIGAND BINDING | | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | | Authors: | Libson, A, Gittis, A, Lattman, E.E. | | Deposit date: | 1994-02-14 | | Release date: | 1994-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of the binary Ca2+ and pdTp complexes and the ternary complex of the Asp21-->Glu mutant of staphylococcal nuclease. Implications for catalysis and ligand binding.
Biochemistry, 33, 1994
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1ENA
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7ZUJ
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 6Az - Streptococcus pneumoniae R6 | | Descriptor: | 6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | | Deposit date: | 2022-05-12 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones.
Acs Chem.Biol., 17, 2022
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7ZUL
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with 8Az lactone - Streptococcus pneumoniae R6 | | Descriptor: | 6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide, CHLORIDE ION, Penicillin-binding protein 1b | | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | | Deposit date: | 2022-05-12 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.744 Å) | | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones.
Acs Chem.Biol., 17, 2022
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7ZUK
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 7Az - Streptococcus pneumoniae R6 | | Descriptor: | 6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | | Deposit date: | 2022-05-12 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.631 Å) | | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones.
Acs Chem.Biol., 17, 2022
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8A4L
 | | Lipidic alpha-synuclein fibril - polymorph L2A | | Descriptor: | Alpha-synuclein | | Authors: | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | | Deposit date: | 2022-06-12 | | Release date: | 2022-08-17 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | The 3D structure of lipidic fibrils of alpha-synuclein.
Nat Commun, 13, 2022
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