7TWQ
 
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7TWY
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 8 (P43 crystal form) | | Descriptor: | Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2022-02-07 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 8 (P43 crystal form)
To Be Published
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7TWT
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 4 (P43 crystal form) | | Descriptor: | Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2022-02-07 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 4 (P43 crystal form)
To Be Published
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7TX1
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 10 (P43 crystal form) | | Descriptor: | Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2022-02-07 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 10 (P43 crystal form)
To Be Published
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7TWP
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7TWV
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 5 (P43 crystal form) | | Descriptor: | CITRIC ACID, Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2022-02-07 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 5 (P43 crystal form)
To Be Published
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6DIY
 | | YTFGQ segment from Human Immunoglobulin Light-Chain Variable Domain, Residues 96-100, assembled as an amyloid fibril | | Descriptor: | YTFGQ segment Light-Chain Variable Domain Kappa AL09 | | Authors: | Brumshtein, B, Esswein, S.R, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2018-05-24 | | Release date: | 2018-10-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Identification of two principal amyloid-driving segments in variable domains of Ig light chains in systemic light-chain amyloidosis.
J. Biol. Chem., 293, 2018
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7TWO
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5R32
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 26, DMSO-Free | | Descriptor: | Endothiapepsin | | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | Deposit date: | 2020-02-13 | | Release date: | 2020-06-03 | | Last modified: | 2020-07-08 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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8ANM
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6FMC
 | | Neuropilin1-b1 domain in complex with EG01377, 0.9 Angstrom structure | | Descriptor: | (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid, Neuropilin-1 | | Authors: | Yelland, T, Djordjevic, S, Fotinou, K, Selwood, D, Zachary, I, Frankel, P. | | Deposit date: | 2018-01-30 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Small Molecule Neuropilin-1 Antagonists Combine Antiangiogenic and Antitumor Activity with Immune Modulation through Reduction of Transforming Growth Factor Beta (TGF beta ) Production in Regulatory T-Cells.
J. Med. Chem., 61, 2018
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5RBR
 | | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library C04a | | Descriptor: | 2-hydrazinyl-4-methoxypyrimidine, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-03-24 | | Release date: | 2020-06-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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7WPG
 | | The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with heptanoic acid | | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | | Authors: | Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | Deposit date: | 2022-01-23 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with heptanoic acid
To Be Published
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7WOM
 | | The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with eicosapentaenoic acid | | Descriptor: | 5,8,11,14,17-EICOSAPENTAENOIC ACID, Fatty acid-binding protein, heart | | Authors: | Sugiyama, S, Kakinouchi, K, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | Deposit date: | 2022-01-21 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with eicosapentaenoic acid
To Be Published
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7LTD
 | | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 1 | | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | | Deposit date: | 2021-02-19 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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1O56
 | | MOLECULAR STRUCTURE OF TWO CRYSTAL FORMS OF CYCLIC TRIADENYLIC ACID AT 1 ANGSTROM RESOLUTION | | Descriptor: | DNA (5'-CD(*AP*AP*AP*)-3') | | Authors: | Gao, Y.G, Robinson, H, Guan, Y, Liaw, Y.C, van Boom, J.H, van der Marel, G.A, Wang, A.H. | | Deposit date: | 2003-08-20 | | Release date: | 2003-08-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Molecular structure of two crystal forms of cyclic triadenylic acid at 1A resolution.
J.Biomol.Struct.Dyn., 16, 1998
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5I5B
 | | quasi racemic structure of allo-Thr13-ShK and D-ShK | | Descriptor: | D-ShK, GLYCEROL, Kappa-stichotoxin-She3a, ... | | Authors: | Dang, B, Kubota, T, Mandal, K, Shen, R, Bezanilla, F, Roux, B, Kent, S.B.H. | | Deposit date: | 2016-02-15 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Inversion of the Side-Chain Stereochemistry of Indvidual Thr or Ile Residues in a Protein Molecule: Impact on the Folding, Stability, and Structure of the ShK Toxin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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6XVM
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1BYZ
 | | DESIGNED PEPTIDE ALPHA-1, P1 FORM | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | | Authors: | Prive, G.G, Anderson, D.H, Wesson, L, Cascio, D, Eisenberg, D. | | Deposit date: | 1998-10-20 | | Release date: | 1998-10-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Packed protein bilayers in the 0.90 A resolution structure of a designed alpha helical bundle.
Protein Sci., 8, 1999
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7PGZ
 | | Structure of dark-adapted AsLOV2 Q513L | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Gelfert, R, Weyand, M, Moeglich, A. | | Deposit date: | 2021-08-16 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine.
Nat Commun, 13, 2022
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1OEW
 | | ATOMIC RESOLUTION STRUCTURE OF NATIVE ENDOTHIAPEPSIN | | Descriptor: | ENDOTHIAPEPSIN, GLYCEROL, SERINE, ... | | Authors: | Coates, L, Erskine, P.T, Mall, S, Gill, R.S, Wood, S.P, Myles, D.A.A, Cooper, J.B. | | Deposit date: | 2003-03-31 | | Release date: | 2003-04-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Atomic Resolution Analysis of the Catalytic Site of an Aspartic Proteinase and an Unexpected Mode of Binding by Short Peptides
Protein Sci., 12, 2003
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7OUZ
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5GJI
 | | PI3K p85 N-terminal SH2 domain/CD28-derived peptide complex | | Descriptor: | GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, SULFATE ION, ... | | Authors: | Inaba, S, Numoto, N, Morii, H, Ogawa, S, Ikura, T, Abe, R, Ito, N, Oda, M. | | Deposit date: | 2016-06-30 | | Release date: | 2016-12-14 | | Last modified: | 2017-05-10 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Crystal Structures and Thermodynamic Analysis Reveal Distinct Mechanisms of CD28 Phosphopeptide Binding to the Src Homology 2 (SH2) Domains of Three Adaptor Proteins
J. Biol. Chem., 292, 2017
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1VYR
 | | Structure of pentaerythritol tetranitrate reductase complexed with picric acid | | Descriptor: | FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, PICRIC ACID | | Authors: | Barna, T, Moody, P.C.E. | | Deposit date: | 2004-05-05 | | Release date: | 2004-06-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Atomic Resolution Structures and Solution Behavior of Enzyme-Substrate Complexes of Enterobacter Cloacae Pb2 Pentaerythritol Tetranitrate Reductase: Multiple Conformational States and Implications for the Mechanism of Nitroaromatic Explosive Degradation
J.Biol.Chem., 279, 2004
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6UMZ
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