6D0K
| Crystal structure of a CLC-type fluoride/proton antiporter, E118Q mutant | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, CLC-type fluoride/proton antiporter, DECYL-BETA-D-MALTOPYRANOSIDE, ... | Authors: | Last, N.B, Stockbridge, R.B, Wilson, A.E, Shane, T, Kolmakova-Partensky, L, Koide, A, Koide, S, Miller, C. | Deposit date: | 2018-04-10 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | A CLC-type F-/H+antiporter in ion-swapped conformations. Nat. Struct. Mol. Biol., 25, 2018
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5W3U
| Crystal structure of SsoPox AsB5 mutant (V27A-I76T-Y97W-Y99F-L130P-L226V) | Descriptor: | 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ... | Authors: | Hiblot, J, Gotthard, G, Jacquet, P, Daude, D, Bergonzi, C, Chabriere, E, Elias, M. | Deposit date: | 2017-06-08 | Release date: | 2017-12-20 | Last modified: | 2021-08-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase. Sci Rep, 7, 2017
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5QQV
| PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1545312521 | Descriptor: | (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide, 5-aminolevulinate synthase, erythroid-specific, ... | Authors: | Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. | Deposit date: | 2019-05-22 | Release date: | 2019-08-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QR9
| PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z31478129 | Descriptor: | 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ... | Authors: | Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. | Deposit date: | 2019-05-22 | Release date: | 2019-08-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7JJH
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2GTP
| Crystal structure of the heterodimeric complex of human RGS1 and activated Gi alpha 1 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ... | Authors: | Soundararajan, M, Turnbull, A.P, Ugochukwu, E, Gorrec, F, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2006-04-28 | Release date: | 2006-05-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits. Proc.Natl.Acad.Sci.Usa, 105, 2008
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1P91
| Crystal Structure of RlmA(I) enzyme: 23S rRNA n1-G745 methyltransferase (NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER19) | Descriptor: | Ribosomal RNA large subunit methyltransferase A, S-ADENOSYLMETHIONINE, SULFATE ION, ... | Authors: | Das, K, Acton, T, Montelione, G, Arnold, E, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-05-08 | Release date: | 2004-03-30 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of RlmAI: implications for understanding the 23S rRNA G745/G748-methylation at the macrolide antibiotic-binding site. Proc.Natl.Acad.Sci.Usa, 101, 2004
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5VRI
| Crystal structure of SsoPox AsA6 mutant (F46L-C258A-W263M-I280T) - closed form | Descriptor: | 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ... | Authors: | Hiblot, J, Gotthard, G, Jacquet, P, Daude, D, Bergonzi, C, Chabriere, E, Elias, M. | Deposit date: | 2017-05-10 | Release date: | 2017-12-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase. Sci Rep, 7, 2017
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3P3Q
| Crystal Structure of MmoQ Response regulator from Methylococcus capsulatus str. Bath at the resolution 2.4A, Northeast Structural Genomics Consortium Target McR175M | Descriptor: | MmoQ, SODIUM ION, SULFATE ION | Authors: | Kuzin, A.P, Vorobiev, S.M, Abashidze, M, Seetharaman, J, Janjua, J, Xiao, R, Foote, E.L, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-10-05 | Release date: | 2010-11-10 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Northeast Structural Genomics Consortium Target McR175M To be Published
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3P83
| Structure of the PCNA:RNase HII complex from Archaeoglobus fulgidus. | Descriptor: | DNA polymerase sliding clamp, Ribonuclease HII | Authors: | Bubeck, D, Reijns, M.A, Graham, S.C, Astell, K.R, Jones, E.Y, Jackson, A.P. | Deposit date: | 2010-10-13 | Release date: | 2011-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | PCNA directs type 2 RNase H activity on DNA replication and repair substrates. Nucleic Acids Res., 39, 2011
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1G5J
| COMPLEX OF BCL-XL WITH PEPTIDE FROM BAD | Descriptor: | APOPTOSIS REGULATOR BCL-X, BAD PROTEIN | Authors: | Petros, A.M, Nettesheim, D.G, Wang, Y, Olejniczak, E.T, Meadows, R.P, Mack, J, Swift, K, Matayoshi, E.D, Zhang, H, Thompson, C.B, Fesik, S.W. | Deposit date: | 2000-11-01 | Release date: | 2001-02-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Rationale for Bcl-xL/Bad peptide complex formation from structure, mutagenesis, and biophysical studies. Protein Sci., 9, 2000
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4K9G
| 1.55 A Crystal Structure of Macrophage Migration Inhibitory Factor bound to ISO-66 and a related compound | Descriptor: | (4R,6Z)-6-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-6-iminohexan-2-one, 1-[(5S)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one, CHLORIDE ION, ... | Authors: | Crichlow, G.V, Al-Abed, Y, Lolis, E.J. | Deposit date: | 2013-04-19 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | ISO-66, a novel inhibitor of macrophage migration, shows efficacy in melanoma and colon cancer models. INT J ONCOL., 45, 2014
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5W1N
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5QQU
| PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1348371854 | Descriptor: | 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile, 5-aminolevulinate synthase, erythroid-specific, ... | Authors: | Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. | Deposit date: | 2019-05-22 | Release date: | 2019-08-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7MDO
| Structure of human p97 ATPase L464P mutant | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Zhang, X, Gui, L, Li, S, Nandi, P, Columbres, R.C, Wong, D.E, Moen, D.R, Lin, H.J, Chiu, P.-L, Chou, T.-F. | Deposit date: | 2021-04-05 | Release date: | 2021-08-25 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4.12 Å) | Cite: | Conserved L464 in p97 D1-D2 linker is critical for p97 cofactor regulated ATPase activity. Biochem.J., 478, 2021
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5QRB
| PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434868 | Descriptor: | 1-ethyl-N-(2-fluorophenyl)piperidin-4-amine, 5-aminolevulinate synthase, erythroid-specific, ... | Authors: | Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. | Deposit date: | 2019-05-22 | Release date: | 2019-08-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | PanDDA analysis group deposition To Be Published
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1ZVX
| Crystal structure of the complex between MMP-8 and a phosphonate inhibitor (R-enantiomer) | Descriptor: | (1R)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID, CALCIUM ION, Neutrophil collagenase, ... | Authors: | Pochetti, G, Gavuzzo, E, Campestre, C, Agamennone, M, Tortorella, P, Consalvi, V, Gallina, C, Hiller, O, Tschesche, H, Tucker, P.A, Mazza, F. | Deposit date: | 2005-06-03 | Release date: | 2006-05-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural insight into the stereoselective inhibition of MMP-8 by enantiomeric sulfonamide phosphonates. J.Med.Chem., 49, 2006
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5UT2
| JAK2 JH2 in complex with PRT062607 | Descriptor: | 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, ACETATE ION, GLYCEROL, ... | Authors: | Puleo, D.E, Schlessinger, J. | Deposit date: | 2017-02-14 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders. ACS Med Chem Lett, 8, 2017
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7MDM
| Structure of human p97 ATPase L464P mutant | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Zhang, X, Gui, L, Li, S, Nandi, P, Columbres, R.C, Wong, D.E, Moen, D.R, Lin, H.J, Chiu, P.-L, Chou, T.-F. | Deposit date: | 2021-04-05 | Release date: | 2021-08-25 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4.86 Å) | Cite: | Conserved L464 in p97 D1-D2 linker is critical for p97 cofactor regulated ATPase activity. Biochem.J., 478, 2021
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6CKZ
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4PRY
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5W2F
| Crystal Structure of the C-terminal Domain of Human eIF2D at 1.4 A resolution | Descriptor: | Eukaryotic translation initiation factor 2D, FORMIC ACID | Authors: | Vaidya, A.T, Lomakin, I.B, Joseph, N.N, Dmitriev, S.E, Steitz, T.A. | Deposit date: | 2017-06-06 | Release date: | 2017-08-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structure of the C-terminal Domain of Human eIF2D and Its Implications on Eukaryotic Translation Initiation. J. Mol. Biol., 429, 2017
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5QQT
| PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434834 | Descriptor: | 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ... | Authors: | Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. | Deposit date: | 2019-05-22 | Release date: | 2019-08-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | PanDDA analysis group deposition To Be Published
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1OVA
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1OVP
| LecB (PA-LII) in complex with fructose | Descriptor: | CALCIUM ION, beta-D-fructopyranose, hypothetical protein LecB | Authors: | Loris, R, Tielker, D, Jaeger, K.-E, Wyns, L. | Deposit date: | 2003-03-27 | Release date: | 2003-09-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Basis of Carbohydrate Recognition by the Lectin LecB from Pseudomonas aeruginosa J.MOL.BIOL., 331, 2003
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