5YSF
 
 | | Crystal structure of beta-1,2-glucooligosaccharide binding protein in complex with sophoropentaose | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Lin1841 protein, MAGNESIUM ION, ... | | Authors: | Abe, K, Nakajima, M, Taguchi, H, Arakawa, T, Fushinobu, S. | | Deposit date: | 2017-11-14 | | Release date: | 2018-05-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and thermodynamic insights into beta-1,2-glucooligosaccharide capture by a solute-binding protein inListeria innocua.
J. Biol. Chem., 293, 2018
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2ISJ
 | | BluB bound to oxidized FMN | | Descriptor: | BluB, FLAVIN MONONUCLEOTIDE | | Authors: | Larsen, N.A, Taga, M.E, Howard-Jones, A.R, Walsh, C.T, Walker, G.C. | | Deposit date: | 2006-10-17 | | Release date: | 2007-03-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | BluB cannibalizes flavin to form the lower ligand of vitamin B12.
Nature, 446, 2007
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4LPG
 | | Crystal structure of human FPPS in complex with CL01131 | | Descriptor: | ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, PHOSPHATE ION | | Authors: | Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2013-07-16 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
J.Med.Chem., 57, 2014
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5YSE
 | | Crystal structure of beta-1,2-glucooligosaccharide binding protein in complex with sophorotetraose | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Lin1841 protein, MAGNESIUM ION, ... | | Authors: | Abe, K, Nakajima, M, Taguchi, H, Arakawa, T, Fushinobu, S. | | Deposit date: | 2017-11-14 | | Release date: | 2018-05-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and thermodynamic insights into beta-1,2-glucooligosaccharide capture by a solute-binding protein inListeria innocua.
J. Biol. Chem., 293, 2018
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1N8V
 | | Chemosensory Protein in complex with bromo-dodecanol | | Descriptor: | BROMO-DODECANOL, chemosensory protein | | Authors: | Campanacci, V, Lartigue, A, Hallberg, B.M, Jones, T.A, Giudici-Orticoni, M.T, Tegoni, M, Cambillau, C. | | Deposit date: | 2002-11-21 | | Release date: | 2003-04-01 | | Last modified: | 2017-02-01 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Moth chemosensory protein exhibits drastic conformational changes and cooperativity on ligand binding.
Proc.Natl.Acad.Sci.USA, 100, 2003
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5OBT
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3IPT
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7U2L
 | | C5guano-uOR-Gi-scFv16 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Wang, H, Qu, Q, Skiniotis, G, Kobilka, B. | | Deposit date: | 2022-02-24 | | Release date: | 2022-05-04 | | Last modified: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
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8GPW
 | | Structure of Penicillin-binding protein 3 (PBP3) from Klebsiella pneumoniae with ligand 18G | | Descriptor: | 1-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2~{S})-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxycyclopropane-1-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | Song, D.Q, Li, Y.H. | | Deposit date: | 2022-08-27 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structure of Penicillin-binding protein 3 (PBP3) from Klebsiella pneumoniae with ligand 18G at 2.06 Angstroms resolution
To Be Published
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2NYK
 | | Crystal structure of m157 from mouse cytomegalovirus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, M157 | | Authors: | Garcia, K.C. | | Deposit date: | 2006-11-20 | | Release date: | 2007-05-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural elucidation of the m157 mouse cytomegalovirus ligand for Ly49 natural killer cell receptors.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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4IGW
 | | Crystal structure of kirola (Act d 11) in P6122 space group | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Kirola, ... | | Authors: | Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W. | | Deposit date: | 2012-12-18 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins.
Mol.Immunol., 56, 2013
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3K2F
 | | Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma | | Descriptor: | (2S)-2,3-bis(nitrooxy)propyl ethyl[(4S,6S)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate, Carbonic anhydrase 2, MERCURY (II) ION, ... | | Authors: | Temperini, C, Cecchi, A. | | Deposit date: | 2009-09-30 | | Release date: | 2009-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma
Bioorg.Med.Chem.Lett., 19, 2009
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8FW4
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4IH2
 | | Crystal structure of kirola (Act d 11) from crystal soaked with 2-aminopurine | | Descriptor: | CHLORIDE ION, Kirola, UNKNOWN LIGAND | | Authors: | Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W. | | Deposit date: | 2012-12-18 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins.
Mol.Immunol., 56, 2013
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7WCA
 | | CATPO mutant - E484A | | Descriptor: | CALCIUM ION, Catalase, PENTAETHYLENE GLYCOL, ... | | Authors: | Yuzugullu Karakus, Y, Balci Unver, S, Zengin Karatas, M, Goc, G, Pearson, A.R, Yorke, B. | | Deposit date: | 2021-12-18 | | Release date: | 2022-12-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Investigation of how gate residues in the main channel affect the catalytic activity of Scytalidium thermophilum catalase.
Acta Crystallogr D Struct Biol, 80, 2024
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7U2K
 | | C6-guano bound Mu Opioid Receptor-Gi Protein Complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Wang, H, Kobilka, B. | | Deposit date: | 2022-02-24 | | Release date: | 2022-12-07 | | Last modified: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
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2ISL
 | | BluB bound to reduced flavin (FMNH2) and molecular oxygen. (clear crystal form) | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, BluB, OXYGEN MOLECULE | | Authors: | Larsen, N.A, Taga, M.E, Howard-Jones, A.R, Walsh, C.T, Walker, G.C. | | Deposit date: | 2006-10-17 | | Release date: | 2007-03-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | BluB cannibalizes flavin to form the lower ligand of vitamin B12.
Nature, 446, 2007
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5B1R
 | | Crystal structure of mouse CD72a CTLD | | Descriptor: | ACETATE ION, B-cell differentiation antigen CD72, GLYCEROL | | Authors: | Shinagawa, K, Numoto, N, Tsubata, T, Ito, N. | | Deposit date: | 2015-12-15 | | Release date: | 2016-10-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | CD72 negatively regulates B lymphocyte responses to the lupus-related endogenous toll-like receptor 7 ligand Sm/RNP
J.Exp.Med., 213, 2016
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3RLE
 | | Crystal Structure of GRASP55 GRASP domain (residues 7-208) | | Descriptor: | Golgi reassembly-stacking protein 2 | | Authors: | Truschel, S.T, Sengupta, D, Foote, A, Heroux, A, Macbeth, M.R, Linstedt, A.D. | | Deposit date: | 2011-04-19 | | Release date: | 2011-05-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.649 Å) | | Cite: | Structure of the Membrane-tethering GRASP Domain Reveals a Unique PDZ Ligand Interaction That Mediates Golgi Biogenesis.
J.Biol.Chem., 286, 2011
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4OB2
 | | Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Butaneboronic Acid via Crystal Soaking | | Descriptor: | 1-BUTANE BORONIC ACID, COBALT (II) ION, Cobalt-containing nitrile hydratase subunit alpha, ... | | Authors: | Rui, W, Salette, M, Ruslan, S, Richard, H, Dali, L. | | Deposit date: | 2014-01-06 | | Release date: | 2014-11-26 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | The active site sulfenic acid ligand in nitrile hydratases can function as a nucleophile.
J.Am.Chem.Soc., 136, 2014
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5CKU
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2PEV
 | | Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution exceeds concentration of IDD594. | | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | | Authors: | Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | | Deposit date: | 2007-04-03 | | Release date: | 2007-04-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
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4I7Q
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4I7L
 | | T4 Lysozyme L99A/M102H with phenol bound | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ... | | Authors: | Merski, M, Shoichet, B.K. | | Deposit date: | 2012-11-30 | | Release date: | 2013-04-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
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4I7S
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