2VA5
 
 | | X-ray crystal structure of beta secretase complexed with compound 8c | | Descriptor: | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L, Patel, S, Spear, N, Tian, G. | | Deposit date: | 2007-08-30 | | Release date: | 2007-11-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
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2Y22
 | | Human AlphaB-crystallin Domain (residues 67-157) | | Descriptor: | ALPHA-CRYSTALLIN B | | Authors: | Naylor, C.E, Bagneris, C, Clark, A.R, Keep, N.H, Slingsby, C. | | Deposit date: | 2010-12-13 | | Release date: | 2011-03-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Crystal Structure of R120G Disease Mutant of Human Alphab-Crystallin Domain Dimer Shows Closure of a Groove
J.Mol.Biol., 408, 2011
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2Y46
 | | Structure of the mixed-function P450 MycG in complex with mycinamicin IV in C 2 2 21 space group | | Descriptor: | BENZAMIDINE, GLYCEROL, MYCINAMICIN IV, ... | | Authors: | Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. | | Deposit date: | 2011-01-05 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
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2Y5N
 | | Structure of the mixed-function P450 MycG in complex with mycinamicin V in P21 space group | | Descriptor: | GLYCEROL, MAGNESIUM ION, MYCINAMICIN V, ... | | Authors: | Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. | | Deposit date: | 2011-01-15 | | Release date: | 2012-02-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
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2Y1Y
 | | Human alphaB crystallin ACD(residues 71-157) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ALPHA-CRYSTALLIN B CHAIN, | | Authors: | Naylor, C.E, Bagneris, C, Clark, A.R, Keep, N.H, Slingsby, C. | | Deposit date: | 2010-12-10 | | Release date: | 2011-03-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of R120G Disease Mutant of Human Alphab-Crystallin Domain Dimer Shows Closure of a Groove
J.Mol.Biol., 408, 2011
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2XYF
 | | HIV-1 Inhibitors with a Tertiary-Alcohol-containing Transition-State Mimic and various P2 and P1 prime Substituents | | Descriptor: | METHYL N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-DIMETHYL-1-METHYLAMINO-1-OXO-BUTAN-2-YL]AMINO]-4-HYDROXY-5-OXO-4-(PHENYLMETHYL)PENTYL]-2-[(4-THIOPHEN-3-YLPHENYL)METHYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, PROTEASE | | Authors: | Ohrngren, P, Wu, X, Persson, M, Ekegren, J.K, Wallberg, H, Rosenquist, A, Samuelsson, B, Unge, T, Larhed, M. | | Deposit date: | 2010-11-17 | | Release date: | 2011-12-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | HIV-1 Protease Inhibitors with a Tertiary Alcohol Containing Transition-State Mimic and Various P2 and P1' Substituents
Med.Chem.Commun., 2, 2011
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2Y01
 | | TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND PARTIAL AGONIST DOBUTAMINE (CRYSTAL DOB102) | | Descriptor: | BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, DOBUTAMINE, ... | | Authors: | Warne, A, Moukhametzianov, R, Baker, J.G, Nehme, R, Edwards, P.C, Leslie, A.G.W, Schertler, G.F.X, Tate, C.G. | | Deposit date: | 2010-11-30 | | Release date: | 2011-03-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor
Nature, 469, 2011
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2Y00
 | | TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND PARTIAL AGONIST DOBUTAMINE (CRYSTAL DOB92) | | Descriptor: | BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, DOBUTAMINE, ... | | Authors: | Warne, A, Moukhametzianov, R, Baker, J.G, Nehme, R, Edwards, P.C, Leslie, A.G.W, Schertler, G.F.X, Tate, C.G. | | Deposit date: | 2010-11-30 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor
Nature, 469, 2011
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2XYE
 | | HIV-1 Inhibitors with a Tertiary-Alcohol-containing Transition-State Mimic and various P2 and P1 prime Substituents | | Descriptor: | METHYL N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-DIMETHYL-1-METHYLAMINO-1-OXO-BUTAN-2-YL]AMINO]-4-HYDROXY-5-OXO-4-(PHENYLMETHYL)PENTYL]-2-[(4-PHENYLPHENYL)METHYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, PROTEASE | | Authors: | Ohrngren, P, Wu, X, Persson, M, Ekegren, J.K, Wallberg, H, Rosenquist, A, Samuelsson, B, Unge, T, Larhed, M. | | Deposit date: | 2010-11-17 | | Release date: | 2011-12-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | HIV-1 Protease Inhibitors with a Tertiary Alcohol Containing Transition-State Mimic and Various P2 and P1' Substituents
Med.Chem.Commun., 2, 2011
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2V26
 | | Myosin VI (MD) pre-powerstroke state (Mg.ADP.VO4) | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Menetrey, J, Llinas, P, Mukherjea, M, Sweeney, H.L, Houdusse, A. | | Deposit date: | 2007-06-03 | | Release date: | 2007-11-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Structural Basis for the Large Powerstroke of Myosin Vi.
Cell(Cambridge,Mass.), 131, 2007
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2V0M
 | | Crystal structure of human P450 3A4 in complex with ketoconazole | | Descriptor: | 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE, CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sjogren, T, Ekroos, M. | | Deposit date: | 2007-05-15 | | Release date: | 2007-06-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for Ligand Promiscuity in Cytochrome P450 3A4
Proc.Natl.Acad.Sci.USA, 103, 2006
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2VM2
 | | Crystal structure of barley thioredoxin h isoform 1 crystallized using PEG as precipitant | | Descriptor: | THIOREDOXIN H ISOFORM 1. | | Authors: | Maeda, K, Hagglund, P, Finnie, C, Svensson, B, Henriksen, A. | | Deposit date: | 2008-01-21 | | Release date: | 2008-04-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of Barley Thioredoxin H Isoforms Hvtrxh1 and Hvtrxh2 Reveal Features Involved in Protein Recognition and Possibly in Discriminating the Isoform Specificity.
Protein Sci., 17, 2008
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2VH4
 | | Structure of a loop C-sheet serpin polymer | | Descriptor: | TENGPIN | | Authors: | Zhang, Q, Law, R.H.P, Bottomley, S.P, Whisstock, J.C, Buckle, A.M. | | Deposit date: | 2007-11-19 | | Release date: | 2008-01-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A Structural Basis for Loop C-Sheet Polymerization in Serpins.
J.Mol.Biol., 376, 2008
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2VIF
 | | Crystal structure of SOCS6 SH2 domain in complex with a c-KIT phosphopeptide | | Descriptor: | 1,2-ETHANEDIOL, MAST/STEM CELL GROWTH FACTOR RECEPTOR, SUPPRESSOR OF CYTOKINE SIGNALLING 6 | | Authors: | Bullock, A, Pike, A.C.W, Savitsky, P, Keates, T, Pilka, E.S, von Delft, F, Edwards, A, Weigelt, J, Arrowsmith, C.H, Knapp, S. | | Deposit date: | 2007-11-30 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural Basis for C-Kit Inhibition by the Suppressor of Cytokine Signaling 6 (Socs6) Ubiquitin Ligase.
J.Biol.Chem., 286, 2011
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2VKU
 | | 4,4'-Dihydroxybenzophenone Mimics Sterol Substrate in the Binding Site of Sterol 14alpha-Demethylase (CYP51) in the X-ray Structure of the Complex | | Descriptor: | CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | Authors: | Eddine, A.N, von Kries, J.P, Podust, M.V, Podust, L.M. | | Deposit date: | 2007-12-29 | | Release date: | 2008-03-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | X-Ray Structure of 4,4'-Dihydroxybenzophenone Mimicking Sterol Substrate in the Active Site of Sterol 14Alpha-Demethylase (Cyp51)
J.Biol.Chem., 283, 2008
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2VIM
 | | X-ray structure of Fasciola hepatica thioredoxin | | Descriptor: | THIOREDOXIN | | Authors: | Line, K, Isupov, M.N, Garcia-Rodriguez, E, Maggioli, G, Parra, F, Littlechild, J.A. | | Deposit date: | 2007-12-05 | | Release date: | 2008-07-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | The Fasciola Hepatica Thioredoxin: High Resolution Structure Reveals Two Oxidation States.
Mol.Biochem.Parasitol., 161, 2008
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2VI6
 | | Crystal Structure of the Nanog Homeodomain | | Descriptor: | HOMEOBOX PROTEIN NANOG | | Authors: | Jauch, R, Ng, C.K.L, Saitakendu, K.S, Stevens, R.C, Kolatkar, P.R. | | Deposit date: | 2007-11-28 | | Release date: | 2008-01-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure and DNA Binding of the Homeodomain of the Stem Cell Transcription Factor Nanog.
J.Mol.Biol., 376, 2008
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2VN0
 | | CYP2C8DH COMPLEXED WITH TROGLITAZONE | | Descriptor: | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, CYTOCHROME P450 2C8, PALMITIC ACID, ... | | Authors: | Schoch, G.A, Yano, J.K, Sansen, S, Stout, C.D, Johnson, E.F. | | Deposit date: | 2008-01-30 | | Release date: | 2008-04-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid.
J. Biol. Chem., 283, 2008
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2Y1Z
 | | Human alphaB Crystallin ACD R120G | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ALPHA-CRYSTALLIN B CHAIN | | Authors: | Clark, A.R, Bagneris, C, Naylor, C.E, Keep, N.H, Slingsby, C. | | Deposit date: | 2010-12-10 | | Release date: | 2011-03-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of R120G Disease Mutant of Human Alphab-Crystallin Domain Dimer Shows Closure of a Groove
J.Mol.Biol., 408, 2011
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2XFK
 | | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide | | Descriptor: | BETA-SECRETASE 1, N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE | | Authors: | Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | | Deposit date: | 2010-05-24 | | Release date: | 2010-07-07 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
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2YH1
 | | Model of human U2AF65 tandem RRM1 and RRM2 domains with eight-site uridine binding | | Descriptor: | 5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP)-3', SPLICING FACTOR U2AF 65 KDA SUBUNIT | | Authors: | Mackereth, C.D, Madl, T, Simon, B, Zanier, K, Gasch, A, Sattler, M. | | Deposit date: | 2011-04-26 | | Release date: | 2011-07-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Multi-Domain Conformational Selection Underlies Pre-Mrna Splicing Regulation by U2Af
Nature, 475, 2011
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2YVB
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2UWR
 | | High resolution structure of human CD59 | | Descriptor: | CD59 GLYCOPROTEIN | | Authors: | Leath, K.J, Johnson, S, Roversi, P, Morgan, B.P, Smith, R.A.G, Lea, S.M. | | Deposit date: | 2007-03-23 | | Release date: | 2007-08-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | High-Resolution Structures of Bacterially Expressed Soluble Human Cd59.
Acta Crystallogr.,Sect.F, 63, 2007
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2V1F
 | | Crystal structure of radiation-induced myoglobin compound II - intermediate H at pH 8.7 | | Descriptor: | GLYCEROL, HYDROXIDE ION, MYOGLOBIN, ... | | Authors: | Hersleth, H.-P, Gorbitz, C.H, Andersson, K.K. | | Deposit date: | 2007-05-24 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystallographic and Spectroscopic Studies of Peroxide-Derived Myoglobin Compound II and Occurrence of Protonated Fe(Iv)-O
J.Biol.Chem., 282, 2007
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2V7Y
 | | Crystal structure of the molecular chaperone DnaK from Geobacillus kaustophilus HTA426 in post-ATP hydrolysis state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHAPERONE PROTEIN DNAK, MAGNESIUM ION, ... | | Authors: | Chang, Y.-W, Sun, Y.-J, Wang, C, Hsiao, C.-D. | | Deposit date: | 2007-08-02 | | Release date: | 2008-04-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Crystal Structures of the 70-kDa Heat Shock Proteins in Domain Disjoining Conformation.
J.Biol.Chem., 283, 2008
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