2J4S
 
 | | P450 BM3 heme domain in complex with DMSO | | Descriptor: | BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Kuper, J, Tuck-Seng, W, Roccatano, D, Wilmanns, M, Schwaneberg, U. | | Deposit date: | 2006-09-05 | | Release date: | 2007-05-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Understanding a Mechanism of Organic Cosolvent Inactivation in Heme Monooxygenase P450 Bm-3.
J.Am.Chem.Soc., 129, 2007
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2J50
 | | Structure of Aurora-2 in complex with PHA-739358 | | Descriptor: | N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6, SULFATE ION | | Authors: | Cameron, A.D, Izzo, G, Storici, P, Rusconi, L, Fancelli, D, Varasi, M, Berta, D, Bindi, S, Forte, B, Severino, D, Tonani, R, Vianello, P. | | Deposit date: | 2006-09-08 | | Release date: | 2006-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | 1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: Identification of a Potent Aurora Kinase Inhibitor with a Favorable Antitumor Kinase Inhibition Profile.
J.Med.Chem., 49, 2006
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2IHL
 | | LYSOZYME (E.C.3.2.1.17) (JAPANESE QUAIL) | | Descriptor: | JAPANESE QUAIL EGG WHITE LYSOZYME, SODIUM ION | | Authors: | Houdusse, A, Bentley, G.A, Poljak, R.J, Souchon, H, Zhang, Z. | | Deposit date: | 1993-06-29 | | Release date: | 1994-01-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Three-dimensional structure of a heteroclitic antigen-antibody cross-reaction complex.
Proc.Natl.Acad.Sci.Usa, 90, 1993
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2P8O
 | | Crystal Structure of a Benzohydroxamic Acid/Vanadate complex bound to chymotrypsin A | | Descriptor: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | | Authors: | Moulin, A, Bell, J.H, Pratt, R.F, Ringe, D. | | Deposit date: | 2007-03-22 | | Release date: | 2007-05-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Inhibition of chymotrypsin by a complex of ortho-vanadate and benzohydroxamic Acid: structure of the inert complex and its mechanistic interpretation.
Biochemistry, 46, 2007
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2JM8
 | | R21A Spc-SH3 free | | Descriptor: | Spectrin alpha chain, brain | | Authors: | van Nuland, N.A.J, Casares, S, Ab, E, Eshuis, H, Lopez-Mayorga, O, Conejero-Lara, F. | | Deposit date: | 2006-10-25 | | Release date: | 2007-04-24 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | The high-resolution NMR structure of the R21A Spc-SH3:P41 complex: Understanding the determinants of binding affinity by comparison with Abl-SH3
Bmc Struct.Biol., 7, 2007
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2PE2
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2PEE
 | | Crystal Structure of a Thermophilic Serpin, Tengpin, in the Native State | | Descriptor: | GLYCEROL, SULFATE ION, Serine protease inhibitor | | Authors: | Zhang, Q.W, Buckle, A.M, Whisstock, J.C. | | Deposit date: | 2007-04-02 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The N terminus of the serpin, tengpin, functions to trap the metastable native state.
Embo Rep., 8, 2007
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2OSN
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2OTH
 | | Crystal structure of a ternary complex of phospholipase A2 with indomethacin and nimesulide at 2.9 A resolution | | Descriptor: | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE, ACETONITRILE, INDOMETHACIN, ... | | Authors: | Kumar, S, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2007-02-08 | | Release date: | 2007-02-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of a ternary complex of phospholipase A2 with indomethacin and nimesulide at 2.9 A resolution
To be Published
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2OUA
 | | Crystal Structure of Nocardiopsis Protease (NAPase) | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, GLYCEROL, ... | | Authors: | Kelch, B.A, Agard, D.A. | | Deposit date: | 2007-02-09 | | Release date: | 2007-02-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and mechanistic exploration of Acid resistance: kinetic stability facilitates evolution of extremophilic behavior
J.Mol.Biol., 368, 2007
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2OXD
 | | Protein kinase CK2 in complex with tetrabromobenzoimidazole K17, K22 and K32 inhibitors | | Descriptor: | 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE, Casein kinase II subunit alpha | | Authors: | Battistutta, R, Zanotti, G, Cendron, L. | | Deposit date: | 2007-02-20 | | Release date: | 2007-09-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The ATP-Binding Site of Protein Kinase CK2 Holds a Positive Electrostatic Area and Conserved Water Molecules.
Chembiochem, 8, 2007
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2OYF
 | | Crystal Structure of the complex of phospholipase A2 with indole acetic acid at 1.2 A resolution | | Descriptor: | 1H-INDOL-3-YLACETIC ACID, ACETIC ACID, Phospholipase A2 VRV-PL-VIIIa, ... | | Authors: | Kumar, S, Hariprasad, G, Singh, N, Sharma, S, Kaur, P, Perbandt, M, Betzel, C, Singh, T.P. | | Deposit date: | 2007-02-22 | | Release date: | 2007-03-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal Structure of the complex of phospholipase A2 with indole acetic acid at 1.2 A resolution
To be Published
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7YU4
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2P6Z
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2P83
 | | Potent and selective isophthalamide S2 hydroxyethylamine inhibitor of BACE1 | | Descriptor: | Beta-secretase 1, N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE, PHOSPHATE ION | | Authors: | Benson, T.E, Prince, D.B, Tomasselli, A.G, Emmons, T.L, Paddock, D.J. | | Deposit date: | 2007-03-21 | | Release date: | 2007-06-19 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Potent and selective isophthalamide S(2) hydroxyethylamine inhibitors of BACE1.
Bioorg.Med.Chem.Lett., 17, 2007
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2F7X
 | | Protein Kinase A bound to (S)-2-(1H-Indol-3-yl)-1-[5-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yloxymethyl]-ethylamine | | Descriptor: | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE, PKI, inhibitory peptide, ... | | Authors: | Li, Q, Li, T, Zhu, G.D, Gong, J, Claibone, A, Dalton, C, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Bauch, J.L, Marsh, K.C, Bouska, J.J, Arries, S, De Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | | Deposit date: | 2005-12-01 | | Release date: | 2006-06-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 16, 2006
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2F2V
 | | alpha-spectrin SH3 domain A56G mutant | | Descriptor: | FORMIC ACID, Spectrin alpha chain, brain | | Authors: | Camara-Artigas, A, Conejero-Lara, F, Casares, S, Lopez-Mayorga, O, Vega, C. | | Deposit date: | 2005-11-18 | | Release date: | 2006-10-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Cooperative propagation of local stability changes from low-stability and high-stability regions in a SH3 domain
Proteins, 67, 2007
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2F9G
 | | Crystal structure of Fus3 phosphorylated on Tyr182 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitogen-activated protein kinase FUS3 | | Authors: | Bhattacharyya, R.P, Remenyi, A, Good, M.C, Bashor, C.J, Falick, A.M, Lim, W.A. | | Deposit date: | 2005-12-05 | | Release date: | 2006-11-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Ste5 scaffold allosterically modulates signaling output of the yeast mating pathway.
Science, 311, 2006
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2NP8
 | | Structural Basis for the Inhibition of Aurora A Kinase by a Novel Class of High Affinity Disubstituted Pyrimidine Inhibitors | | Descriptor: | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE, SULFATE ION, Serine/threonine-protein kinase 6 | | Authors: | Tari, L.W, Hoffman, I.D, Bensen, D.C, Hunter, M.J, Nix, J, Nelson, K.J, McRee, D.E, Swanson, R.V. | | Deposit date: | 2006-10-26 | | Release date: | 2006-12-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis for the inhibition of Aurora A kinase by a novel class of high affinity disubstituted pyrimidine inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2FD3
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2FDA
 | | Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with alpha-Ketothiazole Arginine Derived Ligand | | Descriptor: | BICARBONATE ION, Coagulation factor XI, N~2~-(AMINOCARBONYL)-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[HYDROXY(1,3-THIAZOL-2-YL)METHYL]BUTYL}VALINAMIDE, ... | | Authors: | Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | | Deposit date: | 2005-12-13 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
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2FF7
 | | The ABC-ATPase of the ABC-transporter HlyB in the ADP bound state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB | | Authors: | Zaitseva, J, Oswald, C, Jumpertz, T, Jenewein, S, Holland, I.B, Schmitt, L. | | Deposit date: | 2005-12-19 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A structural analysis of asymmetry required for catalytic activity of an ABC-ATPase domain dimer.
Embo J., 25, 2006
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4LG4
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2N9U
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2NND
 | | The Structural Identification of the Interaction Site and Functional State of RBP for its Membrane Receptor | | Descriptor: | 2-ISOBUTYL-3-METHOXYPYRAZINE, CADMIUM ION, Major urinary protein 2 | | Authors: | Redondo, C, Bingham, R.J, Vouropoulou, M, Homans, S.W, Findlay, J.B. | | Deposit date: | 2006-10-24 | | Release date: | 2007-10-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Identification of the retinol-binding protein (RBP) interaction site and functional state of RBPs for the membrane receptor.
Faseb J., 22, 2008
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