1R48
| Solution structure of the C-terminal cytoplasmic domain residues 468-497 of Escherichia coli protein ProP | Descriptor: | Proline/betaine transporter | Authors: | Zoetewey, D.L, Tripet, B.P, Kutateladze, T.G, Overduin, M.J, Wood, J.M, Hodges, R.S. | Deposit date: | 2003-10-03 | Release date: | 2003-12-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of the C-terminal Antiparallel Coiled-coil Domain from Escherichia coli Osmosensor ProP. J.Mol.Biol., 334, 2003
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1PE1
| Aquifex aeolicus KDO8PS in complex with cadmium and 2-PGA | Descriptor: | 2-PHOSPHOGLYCERIC ACID, 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, ... | Authors: | Wang, J, Xu, X, Grison, C, Petek, S, Coutrot, P, Birck, M.R, Woodard, R.W, Gatti, D.L. | Deposit date: | 2003-05-20 | Release date: | 2004-02-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structure-Based Design of Novel Inhibitors of 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase DRUG DES.DISCOVERY, 18, 2003
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1PH8
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1PH6
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1PHJ
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1PH9
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1PCK
| Aquifex aeolicus KDO8PS in complex with Z-methyl-PEP | Descriptor: | 2-(PHOSPHONOOXY)BUTANOIC ACID, 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, ... | Authors: | Wang, J, Xu, X, Grison, C, Petek, S, Coutrot, P, Birck, M, Woodard, R.W, Gatti, D.L. | Deposit date: | 2003-05-16 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Design of Novel Inhibitors of 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase. DRUG DES.DISCOVERY, 18, 2003
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1PH1
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1PH2
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1T96
| r106g kdo8ps with pep | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION, ... | Authors: | Gatti, D.L. | Deposit date: | 2004-05-14 | Release date: | 2005-06-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase. To be Published
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1T5L
| Crystal structure of the DNA repair protein UvrB point mutant Y96A revealing a novel fold for domain 2 | Descriptor: | UvrABC system protein B, ZINC ION | Authors: | Truglio, J.J, Croteau, D.L, Skorvaga, M, DellaVecchia, M.J, Theis, K, Mandavilli, B.S, Van Houten, B, Kisker, C. | Deposit date: | 2004-05-04 | Release date: | 2004-06-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Interactions between UvrA and UvrB: the role of UvrB's domain 2 in nucleotide excision repair Embo J., 23, 2004
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1TFZ
| Structural basis for herbicidal inhibitor selectivity revealed by comparison of crystal structures of plant and mammalian 4-hydroxyphenylpyruvate dioxygenases | Descriptor: | (1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-4-YL)[6-(METHYLSULFONYL)-4'-METHOXY-2-METHYL-1,1'-BIPHENYL-3-YL]METHANONE, 4-hydroxyphenylpyruvate dioxygenase, FE (III) ION | Authors: | Yang, C, Pflugrath, J.W, Camper, D.L, Foster, M.L, Pernich, D.J, Walsh, T.A. | Deposit date: | 2004-05-27 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for herbicidal inhibitor selectivity revealed by comparison of crystal structures of plant and Mammalian 4-hydroxyphenylpyruvate dioxygenases Biochemistry, 43, 2004
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1TEX
| Mycobacterium smegmatis Stf0 Sulfotransferase with Trehalose | Descriptor: | Stf0 Sulfotransferase, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | Authors: | Mougous, J.D, Petzold, C.J, Senaratne, R.H, Lee, D.H, Akey, D.L, Lin, F.L, Munchel, S.E, Pratt, M.R, Riley, L.W, Leary, J.A, Berger, J.M, Bertozzi, C.R. | Deposit date: | 2004-05-25 | Release date: | 2004-07-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification, function and structure of the mycobacterial sulfotransferase that initiates sulfolipid-1 biosynthesis. Nat.Struct.Mol.Biol., 11, 2004
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1PH3
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1PCW
| Aquifex aeolicus KDO8PS in complex with cadmium and APP, a bisubstrate inhibitor | Descriptor: | 1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-L-THREO-HEXITOL, 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION | Authors: | Xu, X, Wang, J, Grison, C, Petek, S, Coutrot, P, Birck, M, Woodard, R.W, Gatti, D.L. | Deposit date: | 2003-05-17 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Based Design of Novel Inhibitors of 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase. Drug DES.DISCOVERY, 18, 2003
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1PH5
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1PH4
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1PH7
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1T4Q
| Interleukin 1 beta F101W | Descriptor: | Interleukin-1 beta | Authors: | Adamek, D.H, Guerrero, L, Caspar, D.L. | Deposit date: | 2004-04-30 | Release date: | 2004-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and energetic consequences of mutations in a solvated hydrophobic cavity. J.Mol.Biol., 346, 2005
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3GUT
| Crystal structure of a higher-order complex of p50:RelA bound to the HIV-1 LTR | Descriptor: | HIV-LTR Core Forward Strand, HIV-LTR Core Reverse Strand, Nuclear factor NF-kappa-B p105 subunit, ... | Authors: | Stroud, J.C, Oltman, A.J, Han, A, Bates, D.L, Chen, L. | Deposit date: | 2009-03-30 | Release date: | 2009-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.59 Å) | Cite: | Structural basis of HIV-1 activation by NF-kappaB--a higher-order complex of p50:RelA bound to the HIV-1 LTR. J.Mol.Biol., 393, 2009
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3GYU
| Nuclear receptor DAF-12 from parasitic nematode Strongyloides stercoralis in complex with its physiological ligand dafachronic acid delta 7 | Descriptor: | (5beta,14beta,17alpha,25R)-3-oxocholest-7-en-26-oic acid, Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily, SRC1 | Authors: | Zhou, X.E, Wang, Z, Suino-Powell, K, Motola, D.L, Conneely, A, Ogata, C, Sharma, K.K, Auchus, R.J, Kliewer, S.A, Xu, H.E, Mangelsdorf, D.J. | Deposit date: | 2009-04-05 | Release date: | 2009-07-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of the nuclear receptor DAF-12 as a therapeutic target in parasitic nematodes. Proc.Natl.Acad.Sci.USA, 106, 2009
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3HFE
| A trimeric form of the Kv7.1 A domain Tail | Descriptor: | Potassium voltage-gated channel subfamily KQT member 1 | Authors: | Xu, Q, Minor, D.L. | Deposit date: | 2009-05-11 | Release date: | 2009-09-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a trimeric form of the K(V)7.1 (KCNQ1) A-domain tail coiled-coil reveals structural plasticity and context dependent changes in a putative coiled-coil trimerization motif. Protein Sci., 18, 2009
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3HT8
| 5-chloro-2-methylphenol in complex with T4 lysozyme L99A/M102Q | Descriptor: | 5-chloro-2-methylphenol, Lysozyme, PHOSPHATE ION | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | Deposit date: | 2009-06-11 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3HTG
| 2-ethoxy-3,4-dihydro-2h-pyran in complex with T4 lysozyme L99A/M102Q | Descriptor: | (2S)-2-ethoxy-3,4-dihydro-2H-pyran, BETA-MERCAPTOETHANOL, Lysozyme, ... | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | Deposit date: | 2009-06-11 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3HUA
| 4,5,6,7-tetrahydroindole in complex with T4 lysozyme L99A/M102Q | Descriptor: | 4,5,6,7-tetrahydro-1H-indole, BETA-MERCAPTOETHANOL, Lysozyme, ... | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | Deposit date: | 2009-06-13 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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