3HUK
 
 | | Benzylacetate in complex with T4 lysozyme L99A/M102Q | | Descriptor: | BETA-MERCAPTOETHANOL, Lysozyme, PHOSPHATE ION, ... | | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | Deposit date: | 2009-06-14 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.29 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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3GYT
 | | Nuclear receptor DAF-12 from parasitic nematode Strongyloides stercoralis in complex with its physiological ligand dafachronic acid delta 4 | | Descriptor: | (14beta,17alpha,25R)-3-oxocholest-4-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: | 2024-02-21 | | 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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3FLA
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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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3HFC
 | | A trimeric form of the Kv7.1 A domain Tail, L602M/L606M mutant Semet | | 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: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (2.45 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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3J09
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3K7F
 | | Crystal Structure Analysis of a Phenhexyl/Oxazole/Carboxypyridine alpha-Ketoheterocycle Inhibitor Bound to a Humanized Variant of Fatty Acid Amide Hydrolase' | | Descriptor: | 6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid, CHLORIDE ION, Fatty-acid amide hydrolase 1, ... | | Authors: | Mileni, M, Stevens, R.C, Boger, D.L. | | Deposit date: | 2009-10-13 | | Release date: | 2009-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | X-ray crystallographic analysis of alpha-ketoheterocycle inhibitors bound to a humanized variant of fatty acid amide hydrolase.
J.Med.Chem., 53, 2010
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3J9O
 | | CryoEM structure of a type VI secretion system | | Descriptor: | Intracellular growth locus protein A, Intracellular growth locus protein B | | Authors: | Clemens, D.L, Ge, P, Lee, B.-Y, Horwitz, M.A, Zhou, Z.H. | | Deposit date: | 2015-02-11 | | Release date: | 2015-03-18 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Atomic Structure of T6SS Reveals Interlaced Array Essential to Function.
Cell(Cambridge,Mass.), 160, 2015
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1C3I
 | | HUMAN STROMELYSIN-1 CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812 | | Descriptor: | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER, CALCIUM ION, STROMELYSIN-1, ... | | Authors: | Steele, D.L, Kammlott, R.U, Crowther, R.L, Birktoft, J.J, Dunten, P, Engler, J.E. | | Deposit date: | 1999-07-27 | | Release date: | 2000-07-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Expression, characterization and structure determination of an active site mutant (Glu202-Gln) of mini-stromelysin-1.
Protein Eng., 13, 2000
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1CO4
 | | SOLUTION STRUCTURE OF A ZINC DOMAIN CONSERVED IN YEAST COPPER-REGULATED TRANSCRIPTION FACTORS | | Descriptor: | PROTEIN (ACTIVATOR OF METALLOTHIONEIN 1), ZINC ION | | Authors: | Turner, R.B, Smith, D.L, Zawrotny, M.E, Summers, M.F, Posewitz, M.C, Winge, D.R. | | Deposit date: | 1999-06-04 | | Release date: | 1999-06-10 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a zinc domain conserved in yeast copper-regulated transcription factors.
Nat.Struct.Biol., 5, 1998
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1CWW
 | | SOLUTION STRUCTURE OF THE CASPASE RECRUITMENT DOMAIN (CARD) FROM APAF-1 | | Descriptor: | APOPTOTIC PROTEASE ACTIVATING FACTOR 1 | | Authors: | Day, C.L, Dupont, C, Lackmann, M, Vaux, D.L, Hinds, M.G. | | Deposit date: | 1999-08-26 | | Release date: | 2000-01-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure and mutagenesis of the caspase recruitment domain (CARD) from Apaf-1.
Cell Death Differ., 6, 1999
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1DO8
 | | CRYSTAL STRUCTURE OF A CLOSED FORM OF HUMAN MITOCHONDRIAL NAD(P)+-DEPENDENT MALIC ENZYME | | Descriptor: | MALIC ENZYME, MANGANESE (II) ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Yang, Z, Floyd, D.L, Loeber, G, Tong, L. | | Deposit date: | 1999-12-19 | | Release date: | 2000-03-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a closed form of human malic enzyme and implications for catalytic mechanism.
Nat.Struct.Biol., 7, 2000
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1EFK
 | | STRUCTURE OF HUMAN MALIC ENZYME IN COMPLEX WITH KETOMALONATE | | Descriptor: | ALPHA-KETOMALONIC ACID, MAGNESIUM ION, MALIC ENZYME, ... | | Authors: | Yang, Z, Floyd, D.L, Loeber, G, Tong, L. | | Deposit date: | 2000-02-09 | | Release date: | 2000-03-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of a closed form of human malic enzyme and implications for catalytic mechanism.
Nat.Struct.Biol., 7, 2000
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1E8J
 | | SOLUTION STRUCTURE OF DESULFOVIBRIO GIGAS ZINC RUBREDOXIN, NMR, 20 STRUCTURES | | Descriptor: | RUBREDOXIN | | Authors: | Lamosa, P, Brennan, L, Vis, H, Turner, D.L, Santos, H. | | Deposit date: | 2000-09-21 | | Release date: | 2001-10-18 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR structure of Desulfovibrio gigas rubredoxin: a model for studying protein stabilization by compatible solutes.
Extremophiles, 5, 2001
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1DY3
 | | Ternary complex of 7,8-dihydro-6-hydroxymethylpterinpyrophosphokinase from Escherichia coli with ATP and a substrate analogue. | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 7,8-DIHYDRO-6-HYDROXYMETHYL-7-METHYL-7-[2-PHENYLETHYL]-PTERIN, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Stammers, D.K, Achari, A, Somers, D.O, Bryant, P.K, Rosemond, J, Scott, D.L, Champness, J.N. | | Deposit date: | 2000-01-21 | | Release date: | 2000-08-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 2.0A X-Ray Structure of the Ternary Complex of 7,8-Dihydro-6-Hydroxymethylpterinpyrophosphokinase from Escherichia Coli with ATP and a Substrate Analogue
FEBS Lett., 456, 1999
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1D9E
 | | STRUCTURE OF E. COLI KDO8P SYNTHASE | | Descriptor: | 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE SYNTHASE, SULFATE ION | | Authors: | Radaev, S, Dastidar, P, Patel, M, Woodard, R.W, Gatti, D.L. | | Deposit date: | 1999-10-27 | | Release date: | 2000-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and mechanism of 3-deoxy-D-manno-octulosonate 8-phosphate synthase.
J.Biol.Chem., 275, 2000
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1CC8
 | | CRYSTAL STRUCTURE OF THE ATX1 METALLOCHAPERONE PROTEIN | | Descriptor: | BENZAMIDINE, MERCURY (II) ION, PROTEIN (METALLOCHAPERONE ATX1) | | Authors: | Rosenzweig, A.C, Huffman, D.L, Pufahl, M.Y.R.A, Hou, T.V.O, Wernimont, A.K. | | Deposit date: | 1999-03-04 | | Release date: | 1999-12-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Crystal structure of the Atx1 metallochaperone protein at 1.02 A resolution.
Structure Fold.Des., 7, 1999
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1C8T
 | | HUMAN STROMELYSIN-1 (E202Q) CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812 | | Descriptor: | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER, CALCIUM ION, STROMELYSIN-1, ... | | Authors: | Steele, D.L, el-Kabbani, O, Dunten, P, Crowther, R.L. | | Deposit date: | 1999-07-29 | | Release date: | 2000-07-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Expression, characterization and structure determination of an active site mutant (Glu202-Gln) of mini-stromelysin-1.
Protein Eng., 13, 2000
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1CC7
 | | CRYSTAL STRUCTURE OF THE ATX1 METALLOCHAPERONE PROTEIN | | Descriptor: | BENZAMIDINE, PROTEIN (METALLOCHAPERONE ATX1) | | Authors: | Rosenzweig, A.C, Huffman, D.L, Pufahl, M.Y.R.A, Hou, T.V.O, Wernimont, A.K. | | Deposit date: | 1999-03-04 | | Release date: | 1999-12-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of the Atx1 metallochaperone protein at 1.02 A resolution.
Structure Fold.Des., 7, 1999
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1EI7
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1ET1
 | | CRYSTAL STRUCTURE OF HUMAN PARATHYROID HORMONE 1-34 AT 0.9 A RESOLUTION | | Descriptor: | PARATHYROID HORMONE, SODIUM ION | | Authors: | Jin, L, Briggs, S.L, Chandrasekhar, S, Chirgadze, N.Y, Clawson, D.K, Schevitz, R.W, Smiley, D.L, Tashjian, A.H, Zhang, F. | | Deposit date: | 2000-04-12 | | Release date: | 2000-09-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Crystal structure of human parathyroid hormone 1-34 at 0.9-A resolution.
J.Biol.Chem., 275, 2000
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1DOE
 | | THE MOBIL FLAVIN OF 4-OH BENZOATE HYDROXYLASE: MOTION OF A PROSTHETIC GROUP REGULATES CATALYSIS | | Descriptor: | 2,4-DIHYDROXYBENZOIC ACID, BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Gatti, D.L, Palfey, B.A, Lah, M.S, Entsch, B, Massey, V, Ballou, D.P, Ludwig, M.L. | | Deposit date: | 1994-09-06 | | Release date: | 1994-11-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The mobile flavin of 4-OH benzoate hydroxylase.
Science, 266, 1994
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1DOB
 | | THE MOBIL FLAVIN OF 4-OH BENZOATE HYDROXYLASE: MOTION OF A PROSTHETIC GROUP REGULATES CATALYSIS | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID | | Authors: | Gatti, D.L, Palfey, B.A, Lah, M.S, Entsch, B, Massey, V, Ballou, D.P, Ludwig, M.L. | | Deposit date: | 1994-09-06 | | Release date: | 1994-11-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The mobile flavin of 4-OH benzoate hydroxylase.
Science, 266, 1994
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1F48
 | | CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI ARSENITE-TRANSLOCATING ATPASE | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ANTIMONY (III) ION, ARSENITE-TRANSLOCATING ATPASE, ... | | Authors: | Zhou, T, Radaev, S, Rosen, B.P, Gatti, D.L. | | Deposit date: | 2000-06-07 | | Release date: | 2000-09-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the ArsA ATPase: the catalytic subunit of a heavy metal resistance pump.
EMBO J., 19, 2000
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1DG4
 | | NMR STRUCTURE OF THE SUBSTRATE BINDING DOMAIN OF DNAK IN THE APO FORM | | Descriptor: | DNAK | | Authors: | Pellecchia, M, Montgomery, D.L, Stevens, S.Y, Van der Kooi, C.W, Feng, H, Gierasch, L.M, Zuiderweg, E.R.P. | | Deposit date: | 1999-11-23 | | Release date: | 1999-12-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural insights into substrate binding by the molecular chaperone DnaK.
Nat.Struct.Biol., 7, 2000
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