PDB: 222415 resultsInfo pagesStatus searchChemie searchBIRD

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4F6D	Oxy structure of His100Phe Cerebratulus lacteus mini-hemoglobin Descriptor: Neural hemoglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE Authors: Soman, J, Salter, M.D, Olson, J.S. Deposit date: 2012-05-14 Release date: 2012-05-30 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Oxy structure of His100Phe Cerebratulus lacteus mini-hemoglobin To be Published
4O5O	X-ray Crystal Structure of a 3-hydroxyacyl-CoA dehydrogenase from Brucella suis Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyacyl-CoA dehydrogenase, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2013-12-19 Release date: 2014-01-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.4 Å) Cite: X-ray Crystal Structure of a 3-hydroxyacyl-CoA dehydrogenase from Brucella suis TO BE PUBLISHED
4O5Y	O6-carboxymethylguanine in DNA forms a sequence context dependent wobble base pair structure with thymine Descriptor: BARIUM ION, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), POTASSIUM ION Authors: Zhang, F, Tsunoda, M, Suzuki, K, Kikuchi, Y, Wilkinson, O, Millington, C.L, Margison, G.P, Williams, D.M, Takenaka, A. Deposit date: 2013-12-20 Release date: 2014-07-02 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.75 Å) Cite: O(6)-Carboxymethylguanine in DNA forms a sequence context-dependent wobble base-pair structure with thymine Acta Crystallogr.,Sect.D, 70, 2014
4F8M	Crystal structure of Staphylococcal nuclease variant Delta+PHS V23I/I92V at cryogenic temperature Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease Authors: Caro, J.A, Nam, S.P, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. Deposit date: 2012-05-17 Release date: 2012-06-13 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Pressure effects in proteins To be Published
4NNK	Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide Descriptor: 30S ribosomal protein S1 Authors: Yang, J, Liu, Y, Cai, Q, Lin, D. Deposit date: 2013-11-18 Release date: 2014-12-24 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.31 Å) Cite: Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide. Mol.Microbiol., 95, 2015
4EZK	Potent and Selective Inhibitors of PI3K-delta: Obtaining Isoform Selectivity from the Affinity Pocket and Tryptophan Shelf Descriptor: 2-(1-{[2-(2H-indazol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform Authors: Murray, J.M. Deposit date: 2012-05-02 Release date: 2013-04-17 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.803 Å) Cite: Potent and selective inhibitors of PI3K-delta: obtaining isoform selectivity from the affinity pocket and tryptophan shelf Bioorg.Med.Chem.Lett., 22, 2012
4NOZ	Crystal Structure of an Organic Hydroperoxide Resistance Protein from Burkholderia cenocepacia Descriptor: 1,2-ETHANEDIOL, Organic hydroperoxide resistance protein Authors: Dranow, D.M, Lukacs, C.M, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2013-11-20 Release date: 2013-12-04 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.22 Å) Cite: Crystal Structure of an Organic Hydroperoxide Resistance Protein from Burkholderia cenocepacia TO BE PUBLISHED
4F1E	The Crystal Structure of a Human MitoNEET mutant with Asp 67 replaced by a Gly Descriptor: CDGSH iron-sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER Authors: Baxter, E.I, Zuris, J.A, Wang, C, Axelrod, H.L, Cohen, A.E, Paddock, M.L, Nechushtai, R, Onuchic, J.N, Jennings, P.A. Deposit date: 2012-05-06 Release date: 2012-12-26 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Allosteric control in a metalloprotein dramatically alters function. Proc.Natl.Acad.Sci.USA, 110, 2013
4NVC	Predicting protein conformational response in prospective ligand discovery Descriptor: BENZAMIDINE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NQ6	Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 complexed with compound L-CS319 Descriptor: (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase 2, POTASSIUM ION, ... Authors: Gonzalez, J.M, Gonzalez, M.M, Vila, A.J. Deposit date: 2013-11-23 Release date: 2014-11-26 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
4F45	Crystal structure of human CD38 E226Q mutant in complex with NAADP Descriptor: ADP-ribosyl cyclase 1, [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate Authors: Zhang, H, Lee, H.C, Hao, Q. Deposit date: 2012-05-10 Release date: 2013-04-03 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal Structures of Human CD38 in Complex with NAADP and ADPRP MESSENGER, 2, 2013
4FK9	High Resolution Structure of the Catalytic Domain of Mannanase SActE_2347 from Streptomyces sp. SirexAA-E Descriptor: CHLORIDE ION, Cellulose-binding family II, MAGNESIUM ION Authors: Acheson, J.F, Takasuka, T.E, Fox, B.G. Deposit date: 2012-06-13 Release date: 2013-06-26 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.06 Å) Cite: Biochemical properties and atomic resolution structure of a proteolytically processed beta-mannanase from cellulolytic Streptomyces sp. SirexAA-E. Plos One, 9, 2014
4NR7	Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand Descriptor: 1,2-ETHANEDIOL, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, CREB-binding protein Authors: Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Krojer, T, Nowak, R, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2013-11-26 Release date: 2013-12-18 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand To be Published
4F6B	Aquomet structure of His100Phe Cerebratulus lacteus mini-hemoglobin Descriptor: GLYCEROL, Neural hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Soman, J, Salter, M.D, Olson, J.S. Deposit date: 2012-05-14 Release date: 2012-05-30 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Aquomet structure of His100Phe Cerebratulus lacteus mini-hemoglobin To be Published
4NS1	Crystal structure of purine nucleoside phosphorylase from Porphyromonas gingivalis ATCC 33277, NYSGRC Target 30972 Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, GLYCEROL, Purine nucleoside phosphorylase, ... 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, Love, J, Fiser, A, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) Deposit date: 2013-11-27 Release date: 2013-12-25 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Crystal structure of purine nucleoside phosphorylase from Porphyromonas gingivalis ATCC 33277, NYSGRC Target 30972. To be Published
4EZL	Potent and Selective Inhibitors of PI3K-delta: Obtaining Isoform Selectivity from the Affinity Pocket and Tryptophan Shelf Descriptor: 2-(1-{[2-(2-aminopyrimidin-5-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform Authors: Murray, J.M. Deposit date: 2012-05-02 Release date: 2013-04-17 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.94 Å) Cite: Potent and selective inhibitors of PI3K-delta: obtaining isoform selectivity from the affinity pocket and tryptophan shelf Bioorg.Med.Chem.Lett., 22, 2012
4F09	Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2 Descriptor: 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2 Authors: Murray, J.M. Deposit date: 2012-05-03 Release date: 2012-07-04 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2. J.Med.Chem., 55, 2012
4NTA	Mus Musculus LTC4 synthase in apo form Descriptor: Leukotriene C4 synthase, PALMITIC ACID, SULFATE ION Authors: Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z. Deposit date: 2013-12-02 Release date: 2015-01-14 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Mus Musculus LTC4 synthase in apo form To be Published
4F73	Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of CA-p2 cleavage site Descriptor: ACETATE ION, GLYCEROL, N terminal product of substrate CA-p2, ... Authors: Schiffer, C.A, Mittal, S, Nalam, M.N.L. Deposit date: 2012-05-15 Release date: 2013-05-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of CA-p2 cleavage site To be Published
4O1N	Crystal structure of Staphylococcal superantigen-like protein SAOUHSC_00383 Descriptor: GLYCEROL, Superantigen-like protein Authors: Dutta, D, Dutta, A, Basak, A, Das, A.K. Deposit date: 2013-12-16 Release date: 2014-12-24 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal structure of Staphylococcal superantigen-like protein SAOUHSC_00383 To be Published
4F7X	Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A/L25A at cryogenic temperature Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease Authors: Caro, J.A, Clark, I, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. Deposit date: 2012-05-16 Release date: 2012-06-13 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Pressure effects in proteins To be Published
4NVD	Predicting protein conformational response in prospective ligand discovery. Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, quinazolin-4-amine Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NW3	Crystal structure of MLL CXXC domain in complex with a CpG DNA Descriptor: 5'-D(*GP*CP*CP*AP*TP*CP*GP*AP*TP*GP*GP*C)-3', Histone-lysine N-methyltransferase 2A, ZINC ION Authors: Bian, C, Tempel, W, Chao, X, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) Deposit date: 2013-12-05 Release date: 2014-04-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.82 Å) Cite: DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants. Structure, 26, 2018
4NTB	Mus Musculus LTC4 synthase in GSH complex form Descriptor: GLUTATHIONE, Leukotriene C4 synthase, NICKEL (II) ION, ... Authors: Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z. Deposit date: 2013-12-02 Release date: 2015-01-14 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Mus Musculus LTC4 synthase in GSH complex form To be Published
4NWD	Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist (2S,4R)-4-(3-Methylamino-3-oxopropyl)glutamic acid at 2.6 A resolution Descriptor: (4R)-4-[3-(methylamino)-3-oxopropyl]-L-glutamic acid, CHLORIDE ION, Glutamate receptor ionotropic, ... Authors: Venskutonyte, R, Larsen, A.P, Frydenvang, K, Gajhede, M, Kastrup, J.S. Deposit date: 2013-12-06 Release date: 2014-08-06 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Molecular Recognition of Two 2,4-syn-Functionalized (S)-Glutamate Analogues by the Kainate Receptor GluK3 Ligand Binding Domain. Chemmedchem, 9, 2014

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