3GJR
 
 | | Caspase-3 Binds Diverse P4 Residues in Peptides | | Descriptor: | Caspase-3 subunit p12, Caspase-3 subunit p17, GLYCEROL, ... | | Authors: | Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. | | Deposit date: | 2009-03-09 | | Release date: | 2009-03-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.
Apoptosis, 14, 2009
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2VQV
 | | Structure of HDAC4 catalytic domain with a gain-of-function mutation bound to a hydroxamic acid inhibitor | | Descriptor: | HISTONE DEACETYLASE 4, N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide, POTASSIUM ION, ... | | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | | Deposit date: | 2008-03-19 | | Release date: | 2008-07-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Structural Zinc-Binding Domain.
J.Biol.Chem., 283, 2008
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3BOR
 | | Crystal structure of the DEADc domain of human translation initiation factor 4A-2 | | Descriptor: | Human initiation factor 4A-II | | Authors: | Dimov, S, Hong, B, Tempel, W, MacKenzie, F, Karlberg, T, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-12-17 | | Release date: | 2008-01-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
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2VWZ
 | | ephB4 kinase domain inhibitor complex | | Descriptor: | EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE | | Authors: | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G. | | Deposit date: | 2008-06-30 | | Release date: | 2008-10-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
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2VX1
 | | ephB4 kinase domain inhibitor complex | | Descriptor: | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE, EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION | | Authors: | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G. | | Deposit date: | 2008-06-30 | | Release date: | 2008-10-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
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2VUK
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3C05
 | | Crystal structure of Acostatin from Agkistrodon Contortrix Contortrix | | Descriptor: | Disintegrin acostatin alpha, Disintegrin acostatin-beta, SULFATE ION | | Authors: | Moiseeva, N, Bau, R, Allaire, M. | | Deposit date: | 2008-01-18 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of acostatin, a dimeric disintegrin from southern copperhead
(Agkistrodon contortrix contortrix) at 1.7 A resolution
Acta Crystallogr.,Sect.D, 64, 2008
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3BT1
 | | Structure of urokinase receptor, urokinase and vitronectin complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, Urokinase-type plasminogen activator, ... | | Authors: | Huang, M. | | Deposit date: | 2007-12-27 | | Release date: | 2008-03-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of two human vitronectin, urokinase and urokinase receptor complexes
Nat.Struct.Mol.Biol., 15, 2008
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3BU5
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3C0Y
 | | Crystal structure of catalytic domain of human histone deacetylase HDAC7 | | Descriptor: | Histone deacetylase 7a, POTASSIUM ION, ZINC ION | | Authors: | Min, J.R, Schuetz, A, Allali-Hassani, A, Loppnau, P, Kwiatkowski, N.P, Mazitschek, R, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-01-21 | | Release date: | 2008-02-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity.
J.Biol.Chem., 283, 2008
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3C64
 | | The MC179 portion of the Cysteine-rich Interdomain Region (CIDR) of a Plasmodium falciparum Erythrocyte Membrane Protein-1 (PfEMP1) | | Descriptor: | CHLORIDE ION, PfEMP1 variant 2 of strain MC, TETRAETHYLENE GLYCOL | | Authors: | Klein, M.M, Gittis, A.G, Su, H.P, Makobongo, M.O, Moore, J.M, Singh, S, Miller, L.H, Garboczi, D.N. | | Deposit date: | 2008-02-02 | | Release date: | 2008-09-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Cysteine-Rich Interdomain Region from the Highly Variable Plasmodium falciparum Erythrocyte Membrane Protein-1 Exhibits a Conserved Structure.
Plos Pathog., 4, 2008
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3GW5
 | | Crystal structure of human renin complexed with a novel inhibitor | | Descriptor: | (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wu, Z, McKeever, B.M. | | Deposit date: | 2009-03-31 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and optimization of renin inhibitors: Orally bioavailable alkyl amines.
Bioorg.Med.Chem.Lett., 19, 2009
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3BZ8
 | | Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II | | Descriptor: | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Allingham, J.S, Rayment, I. | | Deposit date: | 2008-01-17 | | Release date: | 2008-02-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design.
Org.Biomol.Chem., 6, 2008
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2VUE
 | | Human serum albumin complexed with 4Z,15E-bilirubin-IX-alpha | | Descriptor: | BILIVERDINE IX ALPHA, SERUM ALBUMIN | | Authors: | Zunszain, P.A, Ghuman, J, Curry, S. | | Deposit date: | 2008-05-24 | | Release date: | 2008-06-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Crystallographic Analysis of Human Serum Albumin Complexed with 4Z,15E-Bilirubin-Ixalpha.
J.Mol.Biol., 381, 2008
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2VV0
 | | hPPARgamma Ligand binding domain in complex with DHA | | Descriptor: | DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | | Authors: | Itoh, T, Fairall, L, Schwabe, J.W.R. | | Deposit date: | 2008-06-02 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
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2VUM
 | | Alpha-amanitin inhibited complete RNA polymerase II elongation complex | | Descriptor: | 5'-D(*AP*AP*AP*CP*TP*AP*CP*TP*TP*GP *AP*GP*CP*T)-3', 5'-D(*AP*GP*CP*TP*CP*AP*AP*GP*TP*AP *GP*TP*TP*AP*CP*GP*CP*CP*BRUP*GP*GP*TP*CP*AP*TP*T)-3', 5'-R(*AP*AP*AP*GP*AP*CP*CP*AP*GP*GP*C)-3', ... | | Authors: | Brueckner, F, Cramer, P. | | Deposit date: | 2008-05-27 | | Release date: | 2008-06-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural Basis of Transcription Inhibition by Alpha-Amanitin and Implications for RNA Polymerase II Translocation.
Nat.Struct.Mol.Biol., 15, 2008
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3BK3
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2VWU
 | | ephB4 kinase domain inhibitor complex | | Descriptor: | EPHRIN TYPE-B RECEPTOR 4, N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine | | Authors: | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Rowsell, S, Packer, M, McAlister, M. | | Deposit date: | 2008-06-27 | | Release date: | 2008-07-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines
Bioorg.Med.Chem.Lett., 18, 2008
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3GY4
 | | A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | | Authors: | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | | Deposit date: | 2009-04-03 | | Release date: | 2010-03-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
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3GY5
 | | A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC | | Descriptor: | 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ... | | Authors: | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | | Deposit date: | 2009-04-03 | | Release date: | 2010-03-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
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3BL0
 | | Carbonic anhydrase inhibitors. Interaction of 2-N,N-Dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies | | Descriptor: | 1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | | Authors: | Temperini, C, Supuran, C.T, Blackburn, G.M. | | Deposit date: | 2007-12-10 | | Release date: | 2008-01-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Carbonic anhydrase inhibitors. Interaction of 2-N,N-dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide with 12 mammalian isoforms: kinetic and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 18, 2008
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3BLA
 | | Synthetic Gene Encoded DcpS bound to inhibitor DG153249 | | Descriptor: | 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine, Scavenger mRNA-decapping enzyme DcpS | | Authors: | Staker, B.L, Christensen, J, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D) | | Deposit date: | 2007-12-10 | | Release date: | 2008-10-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | DcpS as a therapeutic target for spinal muscular atrophy.
Acs Chem.Biol., 3, 2008
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2W0Z
 | | Grb2 SH3C (3) | | Descriptor: | GRB2-ASSOCIATED-BINDING PROTEIN 2, GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2 | | Authors: | Harkiolaki, M, Tsirka, T, Feller, S.M. | | Deposit date: | 2008-10-13 | | Release date: | 2009-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Distinct Binding Modes of Two Epitopes in Gab2 that Interact with the Sh3C Domain of Grb2.
Structure, 17, 2009
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2VV3
 | | hPPARgamma Ligand binding domain in complex with 4-oxoDHA | | Descriptor: | (6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | | Authors: | Itoh, T, Fairall, L, Schwabe, J.W.R. | | Deposit date: | 2008-06-02 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural Basis for the Activation of Ppargamma by Oxidized Fatty Acids.
Nat.Struct.Mol.Biol., 15, 2008
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3BLH
 | | Crystal Structure of Human CDK9/cyclinT1 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein kinase 9, Cyclin-T1 | | Authors: | Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N. | | Deposit date: | 2007-12-11 | | Release date: | 2008-07-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
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