3HWN
 
 | | CATHEPSIN L with AZ13010160 | | Descriptor: | Cathepsin L1, Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide | | Authors: | Kenny, P, Morley, A. | | Deposit date: | 2009-06-18 | | Release date: | 2009-09-15 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Design of selective Cathepsin inhibitors
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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3I37
 | | Proteinase K by LB Nanotemplate Method before high X-Ray dose on ID14-2 Beamline at ESRF | | Descriptor: | CALCIUM ION, Proteinase K | | Authors: | Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C. | | Deposit date: | 2009-06-30 | | Release date: | 2010-06-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (0.995 Å) | | Cite: | Atomic structure and radiation resistance of Langmuir-Blodgett protein crystals
To Be Published
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3C8J
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3HN6
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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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3BPR
 | | Crystal structure of catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor C52 | | Descriptor: | 2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE, CHLORIDE ION, Proto-oncogene tyrosine-protein kinase MER, ... | | Authors: | Walker, J.R, Huang, X, Finerty Jr, P.J, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-12-19 | | Release date: | 2008-01-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural insights into the inhibited states of the Mer receptor tyrosine kinase.
J.Struct.Biol., 165, 2009
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3BQD
 | | Doubling the Size of the Glucocorticoid Receptor Ligand Binding Pocket by Deacylcortivazol | | Descriptor: | 1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone, Glucocorticoid receptor, Nuclear receptor coactivator 1 | | Authors: | Xu, H.E. | | Deposit date: | 2007-12-20 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Doubling the size of the glucocorticoid receptor ligand binding pocket by deacylcortivazol.
Mol.Cell.Biol., 28, 2008
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3BRT
 | | NEMO/IKK association domain structure | | Descriptor: | Inhibitor of nuclear factor kappa-B kinase subunit beta,Inhibitor of nuclear factor kappa-B kinase subunit alpha, NF-kappa-B essential modulator | | Authors: | Silvian, L.F. | | Deposit date: | 2007-12-21 | | Release date: | 2008-04-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of a NEMO/IKK-Associating Domain Reveals Architecture of the Interaction Site.
Structure, 16, 2008
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3BS5
 | | Crystal Structure of hCNK2-SAM/dHYP-SAM Complex | | Descriptor: | Connector enhancer of kinase suppressor of ras 2, Protein aveugle | | Authors: | Rajakulendran, T, Ceccarelli, D.F, Kurinov, I, Sicheri, F. | | Deposit date: | 2007-12-22 | | Release date: | 2008-02-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | CNK and HYP form a discrete dimer by their SAM domains to mediate RAF kinase signaling.
Proc.Natl.Acad.Sci.USA, 105, 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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3BT2
 | | Structure of urokinase receptor, urokinase and vitronectin complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, ... | | Authors: | Huang, M. | | Deposit date: | 2007-12-27 | | Release date: | 2008-03-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of two human vitronectin, urokinase and urokinase receptor complexes
Nat.Struct.Mol.Biol., 15, 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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2WJO
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3HVG
 | | Structure of bace (beta secretase) in Complex with EV0 | | Descriptor: | 2-amino-6-propylpyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL | | Authors: | Godemann, R, Madden, J, Kramer, J, Smith, M.A, Barker, J, Ebneth, A. | | Deposit date: | 2009-06-16 | | Release date: | 2009-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Fragment-Based Discovery of BACE1 Inhibitors Using Functional Assays
Biochemistry, 48, 2009
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2ZNU
 | | Crystal structure of the ligand-binding core of the human ionotropic glutamate receptor, GluR5, in complex with a novel selective agonist, neodysiherbaine A | | Descriptor: | (2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, BETA-MERCAPTOETHANOL, Glutamate receptor, ... | | Authors: | Unno, M, Sasaki, M, Ikeda-Saito, M. | | Deposit date: | 2008-05-01 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors.
J.Mol.Biol., 413, 2011
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3HYE
 | | Crystal structure of 20S proteasome in complex with hydroxylated salinosporamide | | Descriptor: | (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carbaldehyde, Proteasome component C1, Proteasome component C11, ... | | Authors: | Groll, M, Arthur, K.A.M, Macherla, V.R, Manam, R.R, Potts, B.C. | | Deposit date: | 2009-06-22 | | Release date: | 2009-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Snapshots of the fluorosalinosporamide/20S complex offer mechanistic insights for fine tuning proteasome inhibition
J.Med.Chem., 52, 2009
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3I34
 | | Proteinase K by LB Nanotemplate Method after high X-Ray dose on ID14-2 Beamline at ESRF | | Descriptor: | CALCIUM ION, MERCURY (II) ION, Proteinase K | | Authors: | Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C. | | Deposit date: | 2009-06-30 | | Release date: | 2010-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Radiation damage study of Proteinase K at ID14-2 beamline at ESRF
To be Published
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2ZRT
 | | Crystal structure of Zn2+-bound form of des3-23ALG-2 | | Descriptor: | Programmed cell death protein 6, ZINC ION | | Authors: | Suzuki, H, Kawasaki, M, Kakiuchi, T, Shibata, H, Wakatsuki, S, Maki, M. | | Deposit date: | 2008-09-01 | | Release date: | 2008-11-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystallization and X-ray diffraction analysis of N-terminally truncated human ALG-2
ACTA CRYSTALLOGR.,SECT.F, 64, 2008
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2ZFS
 | | Exploring trypsin S3 pocket | | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | | Authors: | Brandt, T, Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-01-10 | | Release date: | 2009-01-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties
J.Mol.Biol., 405, 2011
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3HLN
 | | Crystal structure of ClpP A153C mutant with inter-heptamer disulfide bonds | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, CALCIUM ION | | Authors: | Kimber, M.S, Yu, A.Y.H, Borg, M, Chan, H.S, Houry, W.A. | | Deposit date: | 2009-05-27 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural and Theoretical Studies Indicate that the Cylindrical Protease ClpP Samples Extended and Compact Conformations.
Structure, 18, 2010
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2ZIL
 | | Crystal Structure of Human Lysozyme from Urine | | Descriptor: | Lysozyme C, SODIUM ION | | Authors: | Tamada, T, Kuroki, R, Koshiba, T. | | Deposit date: | 2008-02-18 | | Release date: | 2009-01-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Preparation and characterization of methyonyl-lysine attached human lysozyme expressed in Escherichia coli and its effective conversion to the authentic-like protein
To be Published
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2X0A
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2Z5Y
 | | Crystal Structure of Human Monoamine Oxidase A (G110A) with Harmine | | Descriptor: | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE, Amine oxidase [flavin-containing] A, DECYL(DIMETHYL)PHOSPHINE OXIDE, ... | | Authors: | Son, S.Y, Ma, J, Yoshimura, M, Tsukihara, T. | | Deposit date: | 2007-07-20 | | Release date: | 2008-04-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Structure of human monoamine oxidase A at 2.2-A resolution: The control of opening the entry for substrates/inhibitors
Proc.Natl.Acad.Sci.Usa, 105, 2008
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2ZJI
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