PDB: 19040 resultsInfo pagesStatus searchChemie searchBIRD

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2XRW	Linear binding motifs for JNK and for calcineurin antagonistically control the nuclear shuttling of NFAT4 Descriptor: GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE 8, NUCLEAR FACTOR OF ACTIVATED T-CELLS, ... Authors: Barkai, T, Toeoroe, I, Garai, A, Remenyi, A. Deposit date: 2010-09-23 Release date: 2011-09-28 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.33 Å) Cite: Specificity of Linear Motifs that Bind to a Common Mitogen-Activated Protein Kinase Docking Groove. Sci. Signal, 5, 2012
2Y8O	Crystal structure of human p38alpha complexed with a MAPK docking peptide Descriptor: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 6, MITOGEN-ACTIVATED PROTEIN KINASE 14 Authors: Barkai, T, Garai, A, Toeroe, I, Remenyi, A. Deposit date: 2011-02-08 Release date: 2012-02-22 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Specificity of Linear Motifs that Bind to a Common Mitogen-Activated Protein Kinase Docking Groove. Sci. Signal, 5, 2012
4HXO	Brd4 Bromodomain 1 complex with 3-{[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]SULFANYL}[1,2,4]TRIAZOLO[4,3-A]PYRIDINE inhibitor Descriptor: 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine, Bromodomain-containing protein 4 Authors: Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. Deposit date: 2012-11-12 Release date: 2013-04-03 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.76 Å) Cite: Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
4HXS	Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]-1-PHENYLMETHANESULFONAMIDE inhibitor Descriptor: Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide Authors: Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. Deposit date: 2012-11-12 Release date: 2013-04-03 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
4HZ8	Crystal structure of BglB with natural substrate Descriptor: Beta-glucosidase, beta-D-glucopyranose Authors: Hwang, K.Y, Nam, K.H. Deposit date: 2012-11-14 Release date: 2012-12-19 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.14 Å) Cite: Structural insights into the substrate recognition properties of beta-glucosidase. Biochem.Biophys.Res.Commun., 391, 2010
4HZK	Crystal structure of free CRM1 (crystal form 2) Descriptor: CRM1 Nuclear transport receptor Authors: Monecke, T, Neumann, P, Dickmanns, A, Ficner, R. Deposit date: 2012-11-15 Release date: 2013-01-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Structural basis for cooperativity of CRM1 export complex formation. Proc.Natl.Acad.Sci.USA, 110, 2013
3KER	D-Dopachrome tautomerase (D-DT)/ macrophage migration inhibitory factor 2 (MIF2) complexed with inhibitor 4-IPP Descriptor: 4-phenylpyrimidine, CHLORIDE ION, D-dopachrome decarboxylase, ... Authors: Zierow, S, Lolis, E. Deposit date: 2009-10-26 Release date: 2010-10-13 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.78 Å) Cite: Targeting distinct tautomerase sites of D-DT and MIF with a single molecule for inhibition of neutrophil lung recruitment. Faseb J., 28, 2014
4IA0	Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors Descriptor: 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... Authors: Ren, J, Chen, T, Xu, Y. Deposit date: 2012-12-05 Release date: 2014-01-01 Method: X-RAY DIFFRACTION (2.17 Å) Cite: Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5. Bioorg.Med.Chem.Lett., 23, 2013
4HXM	Brd4 Bromodomain 1 complex with N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}BUTANAMIDE inhibitor Descriptor: Bromodomain-containing protein 4, N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide Authors: Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. Deposit date: 2012-11-12 Release date: 2013-04-03 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
4HZ7	Crystal structure of BglB with glucose Descriptor: beta-D-glucopyranose, beta-glucosidase Authors: Hwang, K.Y, Nam, K.H. Deposit date: 2012-11-14 Release date: 2012-12-19 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural insights into the substrate recognition properties of beta-glucosidase. Biochem.Biophys.Res.Commun., 391, 2010
4IIT	The Phenylacetyl-CoA monooxygenase PaaABC subcomplex with phenylacetyl-CoA Descriptor: Phenylacetate-CoA oxygenase subunit PaaA, Phenylacetate-CoA oxygenase subunit PaaB, Phenylacetate-CoA oxygenase subunit PaaC, ... Authors: Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) Deposit date: 2012-12-20 Release date: 2013-11-06 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (4.3 Å) Cite: Family of phenylacetyl-CoA monooxygenases differs in subunit organization from other monooxygenases. J.Struct.Biol., 184, 2013
3L0D	Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Bartonella henselae with bound NAD Descriptor: Glyceraldehyde 3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-12-09 Release date: 2009-12-29 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Bartonella henselae with bound NAD To be Published
4IJ2	Human methemoglobin in complex with the second and third NEAT domains of IsdH from Staphylococcus aureus Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated surface determinant protein H, ... Authors: Dickson, C.F, Jacques, D.A, Guss, J.M, Gell, D.A. Deposit date: 2012-12-21 Release date: 2013-12-25 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (4.24 Å) Cite: Structure of the Hemoglobin-IsdH Complex Reveals the Molecular Basis of Iron Capture by Staphylococcus aureus J.Biol.Chem., 289, 2014
3LV0	Crystal structure of extragenic suppressor protein suhB from Bartonella henselae, native Descriptor: Extragenic suppressor protein suhB, MAGNESIUM ION Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2010-02-18 Release date: 2010-03-02 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal structure of extragenic suppressor protein suhB from Bartonella henselae To be Published
4IRR	Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Thymidylate synthase Authors: Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W. Deposit date: 2013-01-15 Release date: 2014-01-29 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.48 Å) Cite: Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP To be Published
4J1M	Crystal structure of Staphylococcal nuclease variant Delta+PHS R105E at cryogenic temperature Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease Authors: Bell-Upp, P.C, Schlessman, J.L, Garcia-Moreno E, B. Deposit date: 2013-02-01 Release date: 2013-02-20 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Crystal structure of Staphylococcal nuclease variant Delta+PHS R105E at cryogenic temperature To be Published
4IZT	The E41Q mutant of the amidase from Nesterenkonia sp. AN1 showing covalent addition of the acetamide moiety of fluoroacetamide at the active site cysteine Descriptor: 2-fluoroacetamide, ACETAMIDE, Amidase Authors: Kimani, S.W, Sewell, B.T. Deposit date: 2013-01-30 Release date: 2014-02-12 Method: X-RAY DIFFRACTION (1.92 Å) Cite: Covalent modifications of the active site cysteine occur as a result of mutating the glutamate of the catalytic triad in the amidase from Nesterenkonia sp. To be Published
4IZU	The E41Q mutant of the amidase from Nesterenkonia sp. AN1 showing the result of Michael addition of acrylamide at the active site cysteine Descriptor: Amidase, PROPIONAMIDE, prop-2-enamide Authors: Kimani, S.W, Sewell, B.T. Deposit date: 2013-01-30 Release date: 2014-02-12 Last modified: 2014-02-19 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Covalent modifications of the active site cysteine occur as a result of mutating the glutamate of the catalytic triad in the amidase from Nesterenkonia sp. To be Published
4J0R	Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand Descriptor: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4, ... Authors: Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2013-01-31 Release date: 2013-02-13 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.72 Å) Cite: Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands. J.Med.Chem., 56, 2013
4ITC	Crystal Structure Analysis of the K1 Cleaved Adhesin domain of Lys-gingipain (Kgp) from Porphyromonas gingivalis W83 Descriptor: CALCIUM ION, GLYCEROL, GUANIDINE, ... Authors: Ganuelas, L.A, Li, N, Hunter, N, Collyer, C.A. Deposit date: 2013-01-18 Release date: 2013-09-25 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.55 Å) Cite: The lysine gingipain adhesin domains from Porphyromonas gingivalis interact with erythrocytes and albumin: Structures correlate to function. Eur J Microbiol Immunol (Bp), 3, 2013
4IVT	Crystal structure of BACE1 with its inhibitor Descriptor: Beta-secretase 1, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(1H-indol-1-yl)acetamide, SULFATE ION Authors: Chen, T.T, Li, L, Chen, W.Y, Xu, Y.C. Deposit date: 2013-01-23 Release date: 2013-11-13 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Virtual screening and structure-based discovery of indole acylguanidines as potent beta-secretase (BACE1) inhibitors Molecules, 18, 2013
3LGJ	Crystal structure of single-stranded binding protein (ssb) from Bartonella henselae Descriptor: CALCIUM ION, Single-stranded DNA-binding protein Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2010-01-20 Release date: 2010-02-16 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal structure of single-stranded binding protein (ssb) from Bartonella henselae To be Published
4ISW	Crystal Structure of Phosphorylated C.elegans Thymidylate Synthase in Complex with dUMP Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase Authors: Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W. Deposit date: 2013-01-17 Release date: 2013-12-11 Last modified: 2014-01-15 Method: X-RAY DIFFRACTION (3.14 Å) Cite: Crystal structure of phosphoramide-phosphorylated thymidylate synthase reveals pSer127, reflecting probably pHis to pSer phosphotransfer. Bioorg.Chem., 52C, 2013
3LB5	Crystal structure of Hit-like protein involved in cell-cycle regulation from Bartonella henselae with unknown ligand Descriptor: Hit-like protein involved in cell-cycle regulation, UNKNOWN LIGAND Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2010-01-07 Release date: 2010-01-19 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of Hit-like protein involved in cell-cycle regulation from Bartonella henselae with unknown ligand To be Published
4J3Z	Crystal structure of mandelate racemase/muconate lactonizing enzyme from Jannaschia sp. CCS1 Descriptor: Mandelate racemase/muconate lactonizing enzyme Authors: Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) Deposit date: 2013-02-06 Release date: 2013-03-06 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal structure of mandelate racemase/muconate lactonizing enzyme from Jannaschia sp. CCS1 To be Published

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