4KNK
| Crystal structure of Staphylococcus aureus hydrolase AmiA | Descriptor: | 1,2-ETHANEDIOL, Bifunctional autolysin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Buettner, F.M, Zoll, S, Stehle, T. | Deposit date: | 2013-05-10 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.124 Å) | Cite: | Structure-function analysis of Staphylococcus aureus amidase reveals the determinants of peptidoglycan recognition and cleavage. J.Biol.Chem., 289, 2014
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5A38
| Mutations in the Calponin homology domain of Alpha-Actinin-2 affect Actin binding and incorporation in muscle. | Descriptor: | ALPHA-ACTININ-2 | Authors: | Haywood, N.J, Wolny, M, Trinh, C.H, Shuping, Y, Edwards, T.A, Peckham, M. | Deposit date: | 2015-05-27 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Hypertrophic Cardiomyopathy Mutations in the Calponin-Homology Domain of Actn2 Affect Actin Binding and Cardiomyocyte Z-Disc Incorporation. Biochem.J., 473, 2016
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5ABF
| Structure of GH84 with ligand | Descriptor: | 1,2-ETHANEDIOL, 2-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ... | Authors: | Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R. | Deposit date: | 2015-08-05 | Release date: | 2015-11-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors. Angew.Chem.Int.Ed.Engl., 54, 2015
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5UXZ
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2BXF
| Human serum albumin complexed with diazepam | Descriptor: | 7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, SERUM ALBUMIN | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | Deposit date: | 2005-07-26 | Release date: | 2005-09-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin. J.Mol.Biol., 353, 2005
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1WRN
| Metal Ion dependency of the antiterminator protein, HutP, for binding to the terminator region of hut mRNA- A structural basis | Descriptor: | DI(HYDROXYETHYL)ETHER, HISTIDINE, Hut operon positive regulatory protein, ... | Authors: | Kumarevel, T, Mizuno, H, Kumar, P.K.R. | Deposit date: | 2004-10-25 | Release date: | 2005-08-30 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization of the metal ion binding site in the anti-terminator protein, HutP, of Bacillus subtilis Nucleic Acids Res., 33, 2005
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3G78
| Insight into group II intron catalysis from revised crystal structure | Descriptor: | Group II intron, Ligated EXON product, MAGNESIUM ION, ... | Authors: | Wang, J. | Deposit date: | 2009-02-09 | Release date: | 2010-02-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Inclusion of weak high-resolution X-ray data for improvement of a group II intron structure. Acta Crystallogr.,Sect.D, 66, 2010
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2BXP
| Human serum albumin complexed with myristate and phenylbutazone | Descriptor: | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, MYRISTIC ACID, SERUM ALBUMIN | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | Deposit date: | 2005-07-26 | Release date: | 2005-09-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin. J.Mol.Biol., 353, 2005
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3GFW
| Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrolo-pyridin ligand | Descriptor: | 1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK | Authors: | Filippakopoulos, P, Soundararajan, M, Choi, H, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Grey, N, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-02-27 | Release date: | 2009-03-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function. Nat.Chem.Biol., 6, 2010
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3G8O
| Progesterone Receptor with bound Pyrrolidine 1 | Descriptor: | N~2~-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-N~2~-(2,2,2-trifluoroethyl)-L-alaninamide, Progesterone receptor, SULFATE ION | Authors: | Thompson, S.K, Washburn, D.G, Madauss, K.P, Williams, S.P, Stewart, E.L. | Deposit date: | 2009-02-12 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational design of orally-active, pyrrolidine-based progesterone receptor partial agonists. Bioorg.Med.Chem.Lett., 19, 2009
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4IA6
| Hydratase from lactobacillus acidophilus in a ligand bound form (LA LAH) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Khoshnevis, S, Neumann, P, Ficner, R. | Deposit date: | 2012-12-06 | Release date: | 2013-03-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure analysis of a fatty acid double-bond hydratase from Lactobacillus acidophilus Acta Crystallogr.,Sect.D, 69, 2013
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4IA7
| Diastereotopic and Deuterium Effects in Gemini | Descriptor: | 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ... | Authors: | Maehr, H, Rochel, N, Suh, N, Uskokovic, M. | Deposit date: | 2012-12-06 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Diastereotopic and deuterium effects in gemini. J.Med.Chem., 56, 2013
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1VMC
| STROMA CELL-DERIVED FACTOR-1ALPHA (SDF-1ALPHA) | Descriptor: | Stromal cell-derived factor 1 | Authors: | Gozansky, E.K, Clore, G.M. | Deposit date: | 2004-09-20 | Release date: | 2005-03-01 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Mapping the binding of the N-terminal extracellular tail of the CXCR4 receptor to stromal cell-derived factor-1alpha. J.Mol.Biol., 345, 2005
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5E1W
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4IA1
| Diastereotopic and Deuterium Effects in Gemini | Descriptor: | 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ... | Authors: | Maehr, H, Rochel, N, Suh, N, Uskokovic, M. | Deposit date: | 2012-12-06 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Diastereotopic and deuterium effects in gemini. J.Med.Chem., 56, 2013
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1VNE
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2BXL
| Human serum albumin complexed with myristate and 3,5-diiodosalicylic acid | Descriptor: | 2-HYDROXY-3,5-DIIODO-BENZOIC ACID, MYRISTIC ACID, SERUM ALBUMIN | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | Deposit date: | 2005-07-26 | Release date: | 2005-09-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin. J.Mol.Biol., 353, 2005
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2BXB
| Human serum albumin complexed with oxyphenbutazone | Descriptor: | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE, SERUM ALBUMIN | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | Deposit date: | 2005-07-26 | Release date: | 2005-09-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin. J.Mol.Biol., 353, 2005
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3ILO
| Crystal structure of E. coli HPPK(D97A) in complex with MgAMPCPP and 6-hydroxymethyl-7,8-dihydropterin | Descriptor: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, ... | Authors: | Blaszczyk, J, Li, Y, Yan, H, Ji, X. | Deposit date: | 2009-08-07 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural and functional roles of residues D95 and D97 in E. coli HPPK To be Published
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2BXC
| Human serum albumin complexed with phenylbutazone | Descriptor: | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, SERUM ALBUMIN | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | Deposit date: | 2005-07-26 | Release date: | 2005-09-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin. J.Mol.Biol., 353, 2005
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5BML
| ROCK 1 bound to a pyridine thiazole inhibitor | Descriptor: | N-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide, Rho-associated protein kinase 1 | Authors: | Jacobs, M.D. | Deposit date: | 2015-05-22 | Release date: | 2015-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors. J.Med.Chem., 58, 2015
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2BXH
| Human serum albumin complexed with indoxyl sulfate | Descriptor: | 3-SULFOOXY-1H-INDOLE, SERUM ALBUMIN | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | Deposit date: | 2005-07-26 | Release date: | 2005-09-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin. J.Mol.Biol., 353, 2005
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2BXO
| Human serum albumin complexed with myristate and oxyphenbutazone | Descriptor: | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE, MYRISTIC ACID, SERUM ALBUMIN | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | Deposit date: | 2005-07-26 | Release date: | 2005-09-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin. J.Mol.Biol., 353, 2005
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2BXK
| Human serum albumin complexed with myristate, azapropazone and indomethacin | Descriptor: | AZAPROPAZONE, INDOMETHACIN, MYRISTIC ACID, ... | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | Deposit date: | 2005-07-26 | Release date: | 2005-09-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin. J.Mol.Biol., 353, 2005
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2BXI
| Human serum albumin complexed with myristate and azapropazone | Descriptor: | AZAPROPAZONE, MYRISTIC ACID, SERUM ALBUMIN | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | Deposit date: | 2005-07-26 | Release date: | 2005-09-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin. J.Mol.Biol., 353, 2005
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