1CNC
 
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1D5V
 | | SOLUTION STRUCTURE OF THE FORKHEAD DOMAIN OF THE ADIPOCYTE-TRANSCRIPTION FACTOR FREAC-11 (S12) | | Descriptor: | S12 TRANSCRIPTION FACTOR (FKH-14) | | Authors: | van Dongen, M.J.P, Cederberg, A, Carlsson, P, Enerback, S, Wikstrom, M. | | Deposit date: | 1999-10-12 | | Release date: | 2000-10-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of the DNA-binding domain of the adipocyte-transcription factor FREAC-11.
J.Mol.Biol., 296, 2000
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3B5D
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3B5U
 | | Actin filament model from extended form of acromsomal bundle in the Limulus sperm | | Descriptor: | Actin, alpha skeletal muscle | | Authors: | Cong, Y, Topf, M, Sali, A, Matsudaira, P, Dougherty, M, Chiu, W, Schmid, M.F. | | Deposit date: | 2007-10-26 | | Release date: | 2008-04-15 | | Last modified: | 2024-02-21 | | Method: | ELECTRON CRYSTALLOGRAPHY (9.5 Å) | | Cite: | Crystallographic conformers of actin in a biologically active bundle of filaments
J.Mol.Biol., 375, 2008
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3BJF
 | | Pyruvate kinase M2 is a phosphotyrosine binding protein | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ... | | Authors: | Wu, N. | | Deposit date: | 2007-12-03 | | Release date: | 2008-03-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Pyruvate kinase M2 is a phosphotyrosine-binding protein.
Nature, 452, 2008
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1CR8
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2W66
 | | BtGH84 in complex with HQ602 | | Descriptor: | CALCIUM ION, GLYCEROL, N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide, ... | | Authors: | He, Y, Davies, G.J. | | Deposit date: | 2008-12-17 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion.
J.Am.Chem.Soc., 131, 2009
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2VXR
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3B7U
 | | Leukotriene A4 Hydrolase Complexed with KELatorphan | | Descriptor: | ACETIC ACID, IMIDAZOLE, Leukotriene A-4 hydrolase, ... | | Authors: | Tholander, F, Haeggstrom, J, Thunnissen, M, Muroya, A, Roques, B.-P, Fournie-Zaluski, M.-C. | | Deposit date: | 2007-10-31 | | Release date: | 2008-09-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design.
Chem.Biol., 15, 2008
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3BCD
 | | Alpha-amylase B in complex with maltotetraose and alpha-cyclodextrin | | Descriptor: | Alpha amylase, catalytic region, CALCIUM ION, ... | | Authors: | Tan, T.-C, Mijts, B.N, Swaminathan, K, Patel, B.K.C, Divne, C. | | Deposit date: | 2007-11-12 | | Release date: | 2008-04-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the Polyextremophilic alpha-Amylase AmyB from Halothermothrix orenii: Details of a Productive Enzyme-Substrate Complex and an N Domain with a Role in Binding Raw Starch
J.Mol.Biol., 378, 2008
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1D1V
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH S-ETHYL-N-PHENYL-ISOTHIOUREA (H4B BOUND) | | Descriptor: | 2-ETHYL-1-PHENYL-ISOTHIOUREA, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | | Deposit date: | 1999-09-21 | | Release date: | 2001-07-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase.
J.Biol.Chem., 276, 2001
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3BGD
 | | Thiopurine S-Methyltransferase | | Descriptor: | 9H-purine-6-thiol, S-ADENOSYL-L-HOMOCYSTEINE, Thiopurine S-methyltransferase | | Authors: | Peng, Y, Yee, V.C. | | Deposit date: | 2007-11-26 | | Release date: | 2008-06-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis of Substrate Recognition in Thiopurine S-Methyltransferase
Biochemistry, 47 (23), 6216 6225, 2008. 10.1021/bi800102x, 2008
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2WPU
 | | Chaperoned ruthenium metallodrugs that recognize telomeric DNA | | Descriptor: | (3AS,4S,6AR)-4-(5-((3R,4R)-3,4-DIAMINOPYRROLIDIN-1-YL)-5-OXOPENTYL)TETRAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-2(3H)-ONE-P-CYMENE-CHLORO-RUTHENIUM(III), GLYCEROL, STREPTAVIDIN, ... | | Authors: | Heinisch, T, Schirmer, T, Zimbron, J.M, Sardo, A, Wohlschlager, T, Gradinaru, J, Creus, M, Ward, T.R. | | Deposit date: | 2009-08-10 | | Release date: | 2010-10-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Chemo-Genetic Optimization of DNA Recognition by Metallodrugs Using a Presenter-Protein Strategy.
Chemistry, 16, 2010
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1CQD
 | | THE 2.1 ANGSTROM STRUCTURE OF A CYSTEINE PROTEASE WITH PROLINE SPECIFICITY FROM GINGER RHIZOME, ZINGIBER OFFICINALE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (PROTEASE II), ... | | Authors: | Choi, K.H, Laursen, R.A, Allen, K.N. | | Deposit date: | 1999-06-15 | | Release date: | 1999-09-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The 2.1 A structure of a cysteine protease with proline specificity from ginger rhizome, Zingiber officinale.
Biochemistry, 38, 1999
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1D4X
 | | Crystal Structure of Caenorhabditis Elegans Mg-ATP Actin Complexed with Human Gelsolin Segment 1 at 1.75 A resolution. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, C. ELEGANS ACTIN 1/3, CALCIUM ION, ... | | Authors: | Vorobiev, S, Ono, S, Almo, S.C. | | Deposit date: | 1999-10-06 | | Release date: | 2001-05-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The structure of nonvertebrate actin: implications for the ATP hydrolytic mechanism.
Proc.Natl.Acad.Sci.Usa, 100, 2003
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1CTX
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2WXT
 | | Clostridium perfringens alpha-toxin strain NCTC8237 | | Descriptor: | CADMIUM ION, CALCIUM ION, PHOSPHOLIPASE C, ... | | Authors: | Justin, N, Naylor, C.E, Basak, A.K. | | Deposit date: | 2009-11-10 | | Release date: | 2009-11-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Comparison of a Nontoxic Variant of Clostridium Perfringens [Alpha]-Toxin with the Toxic Wild-Type Strain
Acta Crystallogr.,Sect.D, 66, 2010
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1D6E
 | | CRYSTAL STRUCTURE OF HLA-DR4 COMPLEX WITH PEPTIDOMIMETIC AND SEB | | Descriptor: | ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, PEPTIDOMIMETIC INHIBITOR | | Authors: | Swain, A, Crowther, R, Kammlott, U. | | Deposit date: | 1999-10-13 | | Release date: | 2000-06-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
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1CEM
 | | ENDOGLUCANASE A (CELA) CATALYTIC CORE, RESIDUES 33-395 | | Descriptor: | CELLULASE CELA (1,4-BETA-D-GLUCAN-GLUCANOHYDROLASE) | | Authors: | Alzari, P.M. | | Deposit date: | 1995-12-04 | | Release date: | 1997-01-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The crystal structure of endoglucanase CelA, a family 8 glycosyl hydrolase from Clostridium thermocellum.
Structure, 4, 1996
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3B3M
 | | Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-3-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol | | Descriptor: | 3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Igarashi, J, Li, H, Poulos, T.L. | | Deposit date: | 2007-10-22 | | Release date: | 2008-07-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors.
J.Am.Chem.Soc., 130, 2008
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1CVB
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3B4Y
 | | FGD1 (Rv0407) from Mycobacterium tuberculosis | | Descriptor: | CITRATE ANION, COENZYME F420, PROBABLE F420-DEPENDENT GLUCOSE-6-PHOSPHATE DEHYDROGENASE FGD1 | | Authors: | Bashiri, G, Squire, C.J, Moreland, N.M, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2007-10-25 | | Release date: | 2008-04-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of F420-dependent glucose-6-phosphate dehydrogenase FGD1 involved in the activation of the anti-tuberculosis drug candidate PA-824 reveal the basis of coenzyme and substrate binding
J.Biol.Chem., 283, 2008
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3B7R
 | | Leukotriene A4 Hydrolase Complexed with Inhibitor RB3040 | | Descriptor: | IMIDAZOLE, Leukotriene A-4 hydrolase, N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE, ... | | Authors: | Tholander, F, Haeggstrom, J, Thunnissen, M, Muroya, A, Roques, B.-P, Fournie-Zaluski, M.-C. | | Deposit date: | 2007-10-31 | | Release date: | 2008-09-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.811 Å) | | Cite: | Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design.
Chem.Biol., 15, 2008
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1COA
 | | THE EFFECT OF CAVITY CREATING MUTATIONS IN THE HYDROPHOBIC CORE OF CHYMOTRYPSIN INHIBITOR 2 | | Descriptor: | CHYMOTRYPSIN INHIBITOR 2 | | Authors: | Jackson, S.E, Moracci, M, Elmasry, N, Johnson, C.M, Fersht, A.R. | | Deposit date: | 1993-05-14 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Effect of cavity-creating mutations in the hydrophobic core of chymotrypsin inhibitor 2.
Biochemistry, 32, 1993
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3B62
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