6TT8
 
 | | Haddock model of NDM-1/morin complex | | Descriptor: | 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, Metallo beta lactamase NDM-1, ZINC ION | | Authors: | Riviere, G, Oueslati, S, Gayral, M, Crechet, J.B, Nhiri, N, Jacquet, E, Cintrat, J.C, Giraud, F, van Heijenoort, C, Lescop, E, Pethe, S, Iorga, B.I, Naas, T, Guittet, E, Morellet, N. | | Deposit date: | 2019-12-25 | | Release date: | 2021-01-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR Characterization of the Influence of Zinc(II) Ions on the Structural and Dynamic Behavior of the New Delhi Metallo-beta-Lactamase-1 and on the Binding with Flavonols as Inhibitors.
Acs Omega, 5, 2020
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3OP5
 | | Human vaccinia-related kinase 1 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase VRK1, ... | | Authors: | Allerston, C.K, Uttarkar, S, Savitsky, P, Elkins, J.M, Filippakopoulos, P, Krojer, T, Rellos, P, Fedorov, O, Eswaran, J, Brenner, B, Keates, T, Das, S, King, O, Chalk, R, Berridge, G, von Delft, F, Gileadi, O, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-08-31 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
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2DHC
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1U2Q
 | | Crystal structure of Mycobacterium tuberculosis Low Molecular Weight Protein Tyrosine Phosphatase (MPtpA) at 2.5A resolution with glycerol in the active site | | Descriptor: | CHLORIDE ION, GLYCEROL, low molecular weight protein-tyrosine-phosphatase | | Authors: | Madhurantakam, C, Rajakumara, E, Mazumdar, P.A, Saha, B, Mitra, D, Wiker, H.G, Sankaranarayanan, R, Das, A.K. | | Deposit date: | 2004-07-20 | | Release date: | 2005-03-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of Low-Molecular-Weight Protein Tyrosine Phosphatase from Mycobacterium tuberculosis at 1.9-A Resolution
J.Bacteriol., 187, 2005
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1M0P
 | | Structure of Dialkylglycine Decarboxylase Complexed with 1-Amino-1-phenylethanephosphonate | | Descriptor: | (1R)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID, 2,2-Dialkylglycine Decarboxylase, POTASSIUM ION, ... | | Authors: | Liu, W, Rogers, C.J, Fisher, A.J, Toney, M.D. | | Deposit date: | 2002-06-13 | | Release date: | 2002-10-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Aminophosphonate Inhibitors of Dialkylglycine Decarboxylase: Structural Basis for Slow Binding Inhibition
Biochemistry, 41, 2002
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6KJV
 | | Structure of thermal-stabilised(M9) human GLP-1 receptor transmembrane domain | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Glucagon-like peptide 1 receptor,Endolysin,Glucagon-like peptide 1 receptor, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine | | Authors: | Song, G. | | Deposit date: | 2019-07-23 | | Release date: | 2019-11-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Mutagenesis facilitated crystallization of GLP-1R.
Iucrj, 6, 2019
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4ZO9
 | | Crystal Structure of mutant (D270A) beta-glucosidase from Listeria innocua in complex with laminaribiose | | Descriptor: | GLYCEROL, Lin1840 protein, MAGNESIUM ION, ... | | Authors: | Nakajima, M, Yoshida, R, Miyanaga, A, Abe, K, Takahashi, Y, Sugimoto, N, Toyoizumi, H, Nakai, H, Kitaoka, M, Taguchi, H. | | Deposit date: | 2015-05-06 | | Release date: | 2016-05-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Functional and Structural Analysis of a beta-Glucosidase Involved in beta-1,2-Glucan Metabolism in Listeria innocua
Plos One, 11, 2016
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4JY6
 | | Crystal structure of human Fab PGT123, a broadly reactive and potent HIV-1 neutralizing antibody | | Descriptor: | GLYCEROL, PGT123 heavy chain, PGT123 light chain, ... | | Authors: | Julien, J.-P, Diwanji, D.C, Burton, D.R, Wilson, I.A. | | Deposit date: | 2013-03-29 | | Release date: | 2013-05-08 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Broadly Neutralizing Antibody PGT121 Allosterically Modulates CD4 Binding via Recognition of the HIV-1 gp120 V3 Base and Multiple Surrounding Glycans.
Plos Pathog., 9, 2013
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7ETY
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1M0Q
 | | Structure of Dialkylglycine Decarboxylase Complexed with S-1-aminoethanephosphonate | | Descriptor: | (1S)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACID, 2,2-Dialkylglycine Decarboxylase, POTASSIUM ION, ... | | Authors: | Liu, W, Rogers, C.J, Fisher, A.J, Toney, M.D. | | Deposit date: | 2002-06-13 | | Release date: | 2002-10-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Aminophosphonate Inhibitors of Dialkylglycine Decarboxylase: Structural Basis for Slow Binding Inhibition
Biochemistry, 41, 2002
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3CGF
 | | IRAK-4 Inhibitors (Part II)- A structure based assessment of imidazo[1,2 a]pyridine binding | | Descriptor: | Mitogen-activated protein kinase 10, N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine | | Authors: | Ceska, T.A, Platt, A, Fortunato, M, Dickson, K.M, Buckley, G. | | Deposit date: | 2008-03-05 | | Release date: | 2008-06-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | IRAK-4 inhibitors. Part II: A structure-based assessment of imidazo[1,2-a]pyridine binding
Bioorg.Med.Chem.Lett., 18, 2008
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2RLH
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4ZRY
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9E13
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6QS1
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7FH9
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1MQ8
 | | Crystal structure of alphaL I domain in complex with ICAM-1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin alpha-L, ... | | Authors: | Shimaoka, M, Xiao, T, Liu, J.-H, Yang, Y, Dong, Y, Jun, C.-D, McCormack, A, Zhang, R, Joachimiak, A, Takagi, J, Wang, J.-H, Springer, T.A. | | Deposit date: | 2002-09-15 | | Release date: | 2003-01-14 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structures of the aL I domain and its complex with ICAM-1 reveal a shape-shifting pathway for integrin regulation
Cell(Cambridge,Mass.), 112, 2003
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4BE4
 | | Closed conformation of O. piceae sterol esterase | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gutierrez-Fernandez, J, Vaquero, M.E, Prieto, A, Barriuso, J, Gonzalez, M.J, Hermoso, J.A. | | Deposit date: | 2013-03-05 | | Release date: | 2014-03-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structures of Ophiostoma Piceae Sterol Esterase: Structural Insights Into Activation Mechanism and Product Release.
J.Struct.Biol., 187, 2014
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9DD7
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9DD6
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9DD8
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3D6P
 | | RNase A- 5'-Deoxy-5'-N-morpholinouridine complex | | Descriptor: | 1-(5-deoxy-5-morpholin-4-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione, Ribonuclease pancreatic | | Authors: | Leonidas, D.D, Zogrpahos, S.E, Oikonomakos, N.G. | | Deposit date: | 2008-05-20 | | Release date: | 2009-02-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Morpholino, piperidino, and pyrrolidino derivatives of pyrimidine nucleosides as inhibitors of ribonuclease A: synthesis, biochemical, and crystallographic evaluation.
J.Med.Chem., 52, 2009
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9DD9
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7FCN
 | | Crystal strcture of PirA insecticidal protein from Photorhabdus akhurstii | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Prashar, A, Kumar, A, Kinkar, O, Hire, R.S, Makde, R.D. | | Deposit date: | 2021-07-15 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of PirA and PirB toxins from Photorhabdus akhurstii subsp. akhurstii K-1
Insect Biochem.Mol.Biol., 162, 2023
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4AAZ
 | | X-ray structure of Nicotiana alata Defensin 1 NaD1 | | Descriptor: | 1,2-ETHANEDIOL, FLOWER-SPECIFIC DEFENSIN, PHOSPHATE ION | | Authors: | Lay, F.T, Mills, G.D, Hulett, M.D, Kvansakul, M. | | Deposit date: | 2011-12-06 | | Release date: | 2012-04-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Dimerization of Plant Defensin Nad1 Enhances its Antifungal Activity.
J.Biol.Chem., 287, 2012
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