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3E5V	Crystal Structure Analysis of eqFP611 Double Mutant T122R, N143S Descriptor: Red fluorescent protein eqFP611 Authors: Nar, H, Nienhaus, K, Nienhaus, U, Wiedenmann, J. Deposit date: 2008-08-14 Release date: 2008-09-23 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Trans-cis isomerization is responsible for the red-shifted fluorescence in variants of the red fluorescent protein eqFP611. J.Am.Chem.Soc., 130, 2008
3IW5	Human p38 MAP Kinase in Complex with an Indole Derivative Descriptor: Mitogen-activated protein kinase 14, N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide, octyl beta-D-glucopyranoside Authors: Gruetter, C, Simard, J.R, Rauh, D. Deposit date: 2009-09-02 Release date: 2009-11-17 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.5 Å) Cite: High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
3EHV	X-ray structure of human ubiquitin Zn(II) adduct Descriptor: Ubiquitin, ZINC ION Authors: Falini, G, Fermani, S, Tosi, G. Deposit date: 2008-09-15 Release date: 2009-03-17 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.81 Å) Cite: Structural probing of Zn(II), Cd(II) and Hg(II) binding to human ubiquitin. Chem.Commun.(Camb.), 45, 2008
2RQ1	Solution structure of the 4.1R FERM alpha lobe domain Descriptor: Protein 4.1 Authors: Kusunoki, H, Kohno, T. Deposit date: 2009-01-09 Release date: 2009-04-14 Last modified: 2024-05-29 Method: SOLUTION NMR Cite: Solution structure and glycophorin C binding studies of the protein 4.1R FERM alpha-lobe domain Proteins, 76, 2009
2R93	Elongation complex of RNA polymerase II with a hepatitis delta virus-derived RNA stem loop Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... Authors: Lehmann, E, Brueckner, F, Cramer, P. Deposit date: 2007-09-12 Release date: 2007-11-27 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (4 Å) Cite: Molecular basis of RNA-dependent RNA polymerase II activity. Nature, 450, 2007
3ENS	Crystal structure of human FXA in complex with methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Activated factor Xa heavy chain, ... Authors: Klei, H.E. Deposit date: 2008-09-25 Release date: 2008-12-30 Last modified: 2017-10-25 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors. J.Med.Chem., 51, 2008
3IK9	Human GST A1-1-GIMF with GSDHN Descriptor: (S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid, Glutathione S-transferase A1 Authors: Balogh, L.M, Le Trong, I, Atkins, W.M, Stenkamp, R.E. Deposit date: 2009-08-05 Release date: 2010-06-23 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Substrate specificity combined with stereopromiscuity in glutathione transferase A4-4-dependent metabolism of 4-hydroxynonenal. Biochemistry, 49, 2010
2RD6	PARP complexed with A861695 Descriptor: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, Poly [ADP-ribose] polymerase 1 Authors: Park, C.H. Deposit date: 2007-09-21 Release date: 2008-09-23 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.3 Å) Cite: PARP complexed with A861695 To be Published
3IM4	Crystal structure of cAMP-dependent Protein Kinase A Regulatory Subunit I alpha in complex with dual-specific A-Kinase Anchoring Protein 2 Descriptor: Dual specificity A kinase-anchoring protein 2, ZINC ION, cAMP-dependent protein kinase type I-alpha regulatory subunit Authors: Sarma, G.N, Kinderman, F.S, Kim, C, von Daake, S, Taylor, S.S. Deposit date: 2009-08-09 Release date: 2010-02-02 Last modified: 2022-12-21 Method: X-RAY DIFFRACTION (2.285 Å) Cite: Structure of D-AKAP2:PKA RI Complex: Insights into AKAP Specificity and Selectivity Structure, 18, 2010
2REA	Crystal structures of C2ALPHA-PI3 kinase PX-domain domain indicate conformational change associated with ligand binding. Descriptor: Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing alpha polypeptide Authors: Parkinson, G.N, Vines, D, Driscoll, P.C, Djordjevic, S. Deposit date: 2007-09-26 Release date: 2007-11-27 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal structures of PI3K-C2alpha PX domain indicate conformational change associated with ligand binding Bmc Struct.Biol., 8, 2008
3IMT	Transthyretin in complex with (E)-4-(4-aminostyryl)-2,6-dibromophenol Descriptor: 4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol, Transthyretin Authors: Connelly, S, Wilson, I. Deposit date: 2009-08-11 Release date: 2010-01-12 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.4 Å) Cite: A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity. J.Am.Chem.Soc., 132, 2010
3EKZ	Structural Characterization of tetrameric Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase - substrate binding and catalysis mechanism of a class IIa bacterial aldolase Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SN-GLYCEROL-3-PHOSPHATE, ... Authors: Pegan, S, Rukseree, K, Franzblau, S.G, Mesecar, A.D. Deposit date: 2008-09-19 Release date: 2009-02-10 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Structural basis for catalysis of a tetrameric class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis J.Mol.Biol., 386, 2009
2RG8	Crystal Structure of Programmed for Cell Death 4 Middle MA3 domain Descriptor: CHLORIDE ION, Programmed cell death protein 4, SODIUM ION Authors: Garces, R, Suzuki, C, Wagner, G. Deposit date: 2007-10-03 Release date: 2008-03-04 Last modified: 2017-10-25 Method: X-RAY DIFFRACTION (1.8 Å) Cite: PDCD4 inhibits translation initiation by binding to eIF4A using both its MA3 domains. Proc.Natl.Acad.Sci.Usa, 105, 2008
3EP4	Human AdoMetDC E256Q mutant with no putrescine bound Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYRUVIC ACID, S-adenosylmethionine decarboxylase alpha chain, ... Authors: Bale, S, Lopez, M.M, Makhatadze, G.I, Fang, Q, Pegg, A.E, Ealick, S.E. Deposit date: 2008-09-29 Release date: 2008-12-23 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Structural Basis for Putrescine Activation of Human S-Adenosylmethionine Decarboxylase. Biochemistry, 47, 2008
3IC0	Crystal Structure of liganded hemoglobin in complex with a potent antisickling agent, INN-298 Descriptor: 2-[(2-methoxy-5-methylphenoxy)methyl]pyridine, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... Authors: Safo, M.K, Musayev, F.N, Gandhi, A.K, Jorge, P. Deposit date: 2009-07-17 Release date: 2009-07-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural and in Vitro Chracterization of Pridyl Derivatives of Benzaldehydes: Highly Potent Antisickling Agents To be Published
3ITZ	Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridazine Inhibitor Descriptor: 4-chloro-N-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1H-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide, Mitogen-activated protein kinase 14 Authors: Mohr, C, Jordan, S. Deposit date: 2009-08-28 Release date: 2010-03-02 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Part 2: Structure-activity relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase. Bioorg.Med.Chem.Lett., 20, 2010
2R64	Crystal structure of a 3-aminoindazole compound with CDK2 Descriptor: Cell division protein kinase 2, N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE Authors: Lee, J, Choi, H, Kim, K.H, Jeong, S, Park, J.W, Baek, C.S, Lee, S.H. Deposit date: 2007-09-05 Release date: 2008-09-09 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Synthesis and biological evaluation of 3,5-diaminoindazoles as cyclin-dependent kinase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
3E5W	Crystal Structure Analysis of FP611 Descriptor: Red fluorescent protein eqFP611 Authors: Nienhaus, K, Nar, H, Heilker, R, Wiedenmann, J, Nienhaus, G.U. Deposit date: 2008-08-14 Release date: 2008-09-23 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.71 Å) Cite: Trans-cis isomerization is responsible for the red-shifted fluorescence in variants of the red fluorescent protein eqFP611. J.Am.Chem.Soc., 130, 2008
3I7L	Crystal Structure of DDB1 in Complex with the H-Box Motif of DDB2 Descriptor: DNA damage-binding protein 1, DNA damage-binding protein 2 Authors: Li, T, Robert, E.I, Breugel, P.C.V, Strubin, M, Zheng, N. Deposit date: 2009-07-08 Release date: 2009-12-08 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.8 Å) Cite: A promiscuous alpha-helical motif anchors viral hijackers and substrate receptors to the CUL4-DDB1 ubiquitin ligase machinery. Nat.Struct.Mol.Biol., 17, 2010
3E5S	Crystal structure of Staphylococcal nuclease variant Delta+PHS L103K at cryogenic temperature Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease Authors: Khangulov, V.S, Schlessman, J.L, Garcia-Moreno, E.B. Deposit date: 2008-08-14 Release date: 2008-11-04 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of Staphylococcal nuclease variant Delta+PHS L103K at cryogenic temperature To be Published
3IFW	Crystal structure of the S18Y variant of ubiquitin carboxy terminal hydrolase L1 bound to ubiquitin vinylmethylester. Descriptor: METHYL 4-AMINOBUTANOATE, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L1 Authors: Das, C, Boudreaux, D, Maiti, T. Deposit date: 2009-07-26 Release date: 2010-06-16 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Ubiquitin vinyl methyl ester binding orients the misaligned active site of the ubiquitin hydrolase UCHL1 into productive conformation. Proc.Natl.Acad.Sci.USA, 107, 2010
3IA3	A cis-proline in alpha-hemoglobin stabilizing Protein directs the structural reorganization of alpha-hemoglobin Descriptor: Alpha-hemoglobin-stabilizing protein, Hemoglobin subunit alpha, PROTOPORPHYRIN IX CONTAINING FE Authors: Feng, L, Jeffrey, P.D, Shi, Y. Deposit date: 2009-07-13 Release date: 2009-07-28 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (3.2 Å) Cite: A cis-proline in alpha-hemoglobin stabilizing protein directs the structural reorganization of alpha-hemoglobin. J.Biol.Chem., 284, 2009
3EDZ	Crystal structure of catalytic domain of TACE with hydroxamate inhibitor Descriptor: ADAM 17, CITRIC ACID, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... Authors: Mazzola, R.D, Zhu, Z, Sinning, L, McKittrick, B, Lavey, B, Spitler, J, Kozlowski, J, Neng-Yang, S, Zhou, G, Guo, Z, Orth, P, Madison, V, Sun, J, Lundell, D, Niu, X. Deposit date: 2008-09-03 Release date: 2008-09-23 Last modified: 2021-10-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket. Bioorg.Med.Chem.Lett., 18, 2008
3EFG	Structure of SlyX protein from Xanthomonas campestris pv. campestris str. ATCC 33913 Descriptor: 1,2-ETHANEDIOL, Protein slyX homolog Authors: Cuff, M.E, Xu, X, Cui, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) Deposit date: 2008-09-08 Release date: 2008-12-09 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure of SlyX protein from Xanthomonas campestris pv. campestris str. ATCC 33913 TO BE PUBLISHED
3II6	Structure of human Xrcc4 in complex with the tandem BRCT domains of DNA LigaseIV. Descriptor: CHLORIDE ION, DNA ligase 4, DNA repair protein XRCC4 Authors: Meesala, S, Junop, M. Deposit date: 2009-07-31 Release date: 2009-08-11 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structural and functional interaction between the human DNA repair proteins DNA ligase IV and XRCC4 MOL.CELL.BIOL., 11, 2009

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