3BLR
| Crystal Structure of Human CDK9/cyclinT1 in complex with Flavopiridol | Descriptor: | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, 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 (2.8 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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3BZ7
| Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II | Descriptor: | (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 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 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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3C10
| Crystal structure of catalytic domain of human histone deacetylase HDAC7 in complex with Trichostatin A (TSA) | Descriptor: | Histone deacetylase 7a, POTASSIUM ION, TRICHOSTATIN A, ... | Authors: | Min, J, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.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 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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3C3S
| Role of a Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase | Descriptor: | MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn] | Authors: | Quint, P.S, Domsic, J.F, Cabelli, D.E, McKenna, R, Silverman, D.N. | Deposit date: | 2008-01-28 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Role of a glutamate bridge spanning the dimeric interface of human manganese superoxide dismutase. Biochemistry, 47, 2008
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3H8B
| A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 9) | Descriptor: | Cathepsin L1, N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide | Authors: | Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J. | Deposit date: | 2009-04-29 | Release date: | 2009-10-20 | Last modified: | 2014-02-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A combined crystallographic and molecular dynamics study of cathepsin L retrobinding inhibitors J.Med.Chem., 52, 2009
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2V6C
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3GY6
| A comparative study on the inhibition of bovine beta-trypsin by the bis-benzamidines diminazene and pentamidine | 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 (1.7 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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3BQI
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3BRA
| BACE-1 complexed with compound 1 | Descriptor: | 4-(2-aminoethyl)phenol, Beta-secretase 1 | Authors: | Kuglstatter, A, Hennig, M. | Deposit date: | 2007-12-21 | Release date: | 2008-03-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Tyramine fragment binding to BACE-1 Bioorg.Med.Chem.Lett., 18, 2008
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3BTR
| AR-NLS:Importin-alpha complex | Descriptor: | Androgen receptor, Importin subunit alpha-2 | Authors: | Cutress, M.L, Whitaker, H.C, Mills, I.G, Stewart, M, Neal, D.E. | Deposit date: | 2007-12-30 | Release date: | 2008-12-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the nuclear import of the human androgen receptor J.Cell.Sci., 121, 2008
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3BUF
| BACE-1 complexed with compound 2 | Descriptor: | 4-[(2R)-2-aminopropyl]phenol, Beta-secretase 1 | Authors: | Kuglstatter, A, Hennig, M. | Deposit date: | 2008-01-02 | Release date: | 2008-03-11 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Tyramine fragment binding to BACE-1 Bioorg.Med.Chem.Lett., 18, 2008
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2VM8
| Human CRMP-2 crystallised in the presence of Mg | Descriptor: | DIHYDROPYRIMIDINASE-RELATED PROTEIN 2, MAGNESIUM ION | Authors: | Kursula, P. | Deposit date: | 2008-01-24 | Release date: | 2008-08-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal and Solution Structure, Stability and Post- Translational Modifications of Collapsin Response Mediator Protein 2. FEBS J., 275, 2008
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3BUR
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3E3T
| Structure of porcine pancreatic elastase with the magic triangle I3C | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Elastase-1, IODIDE ION, ... | Authors: | Beck, T, Gruene, T, Sheldrick, G.M. | Deposit date: | 2008-08-08 | Release date: | 2008-10-28 | Last modified: | 2012-04-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A magic triangle for experimental phasing of macromolecules Acta Crystallogr.,Sect.D, 64, 2008
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3BZE
| The human non-classical major histocompatibility complex molecule HLA-E | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ... | Authors: | Hoare, H.L, Sullivan, L.C, Ely, L.K, Beddoe, T, Henderson, K.N, Lin, J, Clements, C.S, Reid, H.H, Brooks, A.G, Rossjohn, J. | Deposit date: | 2008-01-17 | Release date: | 2008-04-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Subtle changes in peptide conformation profoundly affect recognition of the non-classical MHC class I molecule HLA-E by the CD94-NKG2 natural killer cell receptors J.Mol.Biol., 377, 2008
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3C2L
| Ternary complex of DNA POLYMERASE BETA with a C:DAPCPP mismatch in the active site | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, DNA (5'-D(*DCP*DCP*DGP*DAP*DCP*DCP*DGP*DCP*DGP*DCP*DAP*DTP*DCP*DAP*DGP*DC)-3'), DNA (5'-D(*DGP*DCP*DTP*DGP*DAP*DTP*DGP*DCP*DGP*DC)-3'), ... | Authors: | Batra, V.K, Beard, W.A, Shock, D.D, Pedersen, L.C, Wilson, S.H. | Deposit date: | 2008-01-25 | Release date: | 2008-05-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of DNA polymerase beta with active-site mismatches suggest a transient abasic site intermediate during misincorporation. Mol.Cell, 30, 2008
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3C3C
| Crystal Structure of human phosphoglycerate kinase bound to 3-phosphoglycerate and L-CDP | Descriptor: | 3-PHOSPHOGLYCERIC ACID, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L. | Deposit date: | 2008-01-28 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase Nucleic Acids Res., 36, 2008
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2ZFF
| Exploring Thrombin S1-pocket | Descriptor: | D-phenylalanyl-N-benzyl-L-prolinamide, Hirudin variant-1, SODIUM ION, ... | Authors: | Baum, B, Heine, A, Klebe, G. | Deposit date: | 2008-01-04 | Release date: | 2008-12-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Exploring Thrombin S1-pocket To be Published
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2V9J
| Crystal structure of the regulatory fragment of mammalian AMPK in complexes with Mg.ATP-AMP | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | Authors: | Xiao, B, Heath, R, Saiu, P, Leiper, F.C, Leone, P, Jing, C, Walker, P.A, Haire, L, Eccleston, J.F, Davis, C.T, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2007-08-23 | Release date: | 2007-09-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural Basis for AMP Binding to Mammalian AMP-Activated Protein Kinase Nature, 449, 2007
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2ZJH
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2ZK2
| Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with glutathion conjugated 15-deoxy-delta12,14-prostaglandin J2 | Descriptor: | (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid, GLUTATHIONE, Peroxisome proliferator-activated receptor gamma | Authors: | Waku, T, Shiraki, T, Oyama, T, Fujimoto, Y, Morikawa, K. | Deposit date: | 2008-03-12 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structural insight into PPARgamma activation through covalent modification with endogenous fatty acids J.Mol.Biol., 385, 2009
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2ZG3
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2ZHT
| Crystal structure of BACE1 at pH 4.5 | Descriptor: | Beta-secretase 1 | Authors: | Shimizu, H, Nukina, N. | Deposit date: | 2008-02-08 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of an active form of BACE1, an enzyme responsible for amyloid beta protein production Mol.Cell.Biol., 28, 2008
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2ZIZ
| Crystal structure of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 3-deazaadenosine | Descriptor: | 3-DEAZA-ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C. | Deposit date: | 2008-02-29 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors. Protein Sci., 17, 2008
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2VJE
| Crystal Structure of the MDM2-MDMX RING Domain Heterodimer | Descriptor: | CITRATE ANION, E3 UBIQUITIN-PROTEIN LIGASE MDM2, MDM4 PROTEIN, ... | Authors: | Mace, P.D, Linke, K, Smith, C.A, Day, C.L. | Deposit date: | 2007-12-10 | Release date: | 2008-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the MDM2/MDMX RING domain heterodimer reveals dimerization is required for their ubiquitylation in trans. Cell Death Differ., 15, 2008
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