4D4Y
| |
4CQ0
| Cyclic secondary sulfonamides: unusually good inhibitors of cancer- related carbonic anhydrase enzymes | 分子名称: | 6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide, CARBONIC ANHYDRASE 2, FORMIC ACID, ... | 著者 | Moeker, J, Peat, T.S, Bornaghi, L.F, Vullo, D, Supuran, C.T, Poulsen, S. | 登録日 | 2014-02-10 | 公開日 | 2014-04-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Cyclic Secondary Sulfonamides: Unusually Good Inhibitors of Cancer-Related Carbonic Anhydrase Enzymes. J.Med.Chem., 57, 2014
|
|
4CQE
| B-Raf Kinase V600E mutant in complex with a diarylthiazole B-Raf Inhibitor | 分子名称: | N-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide, SLC45A3-BRAF FUSION PROTEIN | 著者 | Casale, E, Fasolini, M, Pulici, M, Traquandi, G, Marchionni, C, Modugno, M, Lupi, R, Amboldi, N, Colombo, N, Corti, L, Gasparri, F, Pastori, W, Scolaro, A, Donati, D, Felder, E, Galvani, A, Isacchi, A, Pesenti, E, Ciomei, M. | 登録日 | 2014-02-14 | 公開日 | 2014-12-10 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Optimization of Diarylthiazole B-Raf Inhibitors: Identification of a Compound Endowed with High Oral Antitumor Activity, Mitigated Herg Inhibition, and Low Paradoxical Effect. Chemmedchem, 10, 2015
|
|
4D1D
| STRUCTURE OF MHP1, A NUCLEOBASE-CATION-SYMPORT-1 FAMILY TRANSPORTER with the inhibitor 5-(2-naphthylmethyl)-L-hydantoin. | 分子名称: | 5-(2-NAPHTHYLMETHYL)-D-HYDANTOIN, 5-(2-NAPHTHYLMETHYL)-L-HYDANTOIN, HYDANTOIN TRANSPORT PROTEIN, ... | 著者 | Weyand, S, Brueckner, F, Geng, T, Drew, D, Iwata, S, Henderson, P.J.F, Cameron, A.D. | 登録日 | 2014-05-01 | 公開日 | 2014-07-02 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | Molecular Mechanism of Ligand Recognition by Membrane Transport Protein, Mhp1. Embo J., 33, 2014
|
|
4H13
| Crystal Structure of the Cytochrome b6f Complex from Mastigocladus laminosus with TDS | 分子名称: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | 著者 | Hasan, S.S, Yamashita, E, Baniulis, D, Cramer, W.A. | 登録日 | 2012-09-10 | 公開日 | 2013-02-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.07 Å) | 主引用文献 | Quinone-dependent proton transfer pathways in the photosynthetic cytochrome b6f complex Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4CVA
| MPS1 kinase with 3-aminopyridin-2-one inhibitors | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | 著者 | Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K. | 登録日 | 2014-03-24 | 公開日 | 2015-04-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Protein Kinase Selectivity of a 3-Aminopyridin-2- One Based Fragment Library, Identification of 3-Amino-5-(Pyridin-4-Yl)Pyridin-2(1H)-One as a Novel Scaffold for Mps1 Inhibition To be Published
|
|
4D6T
| Cytochrome bc1 bound to the 4(1H)-pyridone GW844520 | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 3-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol, CARDIOLIPIN, ... | 著者 | Capper, M.J, O'Neill, P.M, Fisher, N, Strange, R.W, Moss, D, Ward, S.A, Berry, N.G, Lawrenson, A.S, Hasnain, S.S, Biagini, G.A, Antonyuk, S.V. | 登録日 | 2014-11-14 | 公開日 | 2015-01-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.57 Å) | 主引用文献 | Antimalarial 4(1H)-Pyridones Bind to the Qi Site of Cytochrome Bc1. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4CW9
| Entamoeba histolytica thiredoxin C34S mutant | 分子名称: | THIOREDOXIN | 著者 | Parsonage, D, Kells, P.M, Vieira, D.F, Hirata, K, Debnath, A, Poole, L.B, McKerrow, J.H, Reed, S.L, Podust, L.M. | 登録日 | 2014-04-01 | 公開日 | 2015-05-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action. J.Struct.Biol., 194, 2016
|
|
4CV8
| MPS1 kinase with 3-aminopyridin-2-one inhibitors | 分子名称: | 1,2-ETHANEDIOL, 3-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-2(1H)-one, DUAL SPECIFICITY PROTEIN KINASE TTK | 著者 | Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K. | 登録日 | 2014-03-24 | 公開日 | 2015-04-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Protein Kinase Selectivity of a 3-Aminopyridin-2- One Based Fragment Library, Identification of 3-Amino-5-(Pyridin-4-Yl)Pyridin-2(1H)-One as a Novel Scaffold for Mps1 Inhibition To be Published
|
|
4H4R
| Crystal Structure of Ferredoxin reductase, BphA4 E175C/Q177G mutant (oxidized form) | 分子名称: | Biphenyl dioxygenase ferredoxin reductase subunit, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ... | 著者 | Nishizawa, A, Harada, A, Senda, M, Tachihara, Y, Muramatsu, D, Kishigami, S, Mori, S, Sugiyama, K, Senda, T, Kimura, S. | 登録日 | 2012-09-18 | 公開日 | 2013-10-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Random Mutagenesis with the Project Assessment for Complete Conversion of Co-Factor Specificity of a Ferredoxin Reductase BphA4 To be Published
|
|
4D5U
| Structure of OmpF in I2 | 分子名称: | OUTER MEMBRANE PROTEIN F | 著者 | Chaptal, V, Kilburg, A, Flot, D, Wiseman, B, Aghajari, N, Jault, J.M, Falson, P. | 登録日 | 2014-11-07 | 公開日 | 2015-12-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Two Different Centered Monoclinic Crystals of the E. Coli Outer-Membrane Protein Ompf Originate from the Same Building Block. Biochim.Biophys.Acta, 1858, 2016
|
|
4D55
| |
4CVY
| Crystal structure of the M. tuberculosis sulfate ester dioxygenase Rv3406 in complex with iron. | 分子名称: | DIOXYGENASE RV3406/MT3514, FE (III) ION, NITRATE ION | 著者 | Neres, J, Hartkoorn, R.C, Chiarelli, L.R, Gadupudi, R, Pasca, M, Mori, G, Farina, D, Salina, S, Makarov, V, Kolly, G.S, Molteni, E, Binda, C, Dhar, N, Ferrari, S, Brodin, P, Delorme, V, Landry, V, de Jesus Lopes Ribeiro, A.L, Saxena, P, Pojer, F, Venturelli, A, Carta, A, Luciani, R, Porta, A, Zanoni, G, De Rossi, E, Costi, M.P, Riccardi, G, Cole, S.T. | 登録日 | 2014-03-31 | 公開日 | 2014-12-10 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 2-Carboxyquinoxalines Kill Mycobacterium Tuberculosis Through Noncovalent Inhibition of Dpre1. Acs Chem.Biol., 10, 2015
|
|
4CX9
| The 5-coordinate proximal NO complex of cytochrome c prime from Shewanella frigidimarina | 分子名称: | CYTOCHROME C, CLASS II, GLYCEROL, ... | 著者 | Manole, A.A, Kekilli, D, Dobbin, P.S, Hough, M.A. | 登録日 | 2014-04-04 | 公開日 | 2015-04-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Conformational Control of the Binding of Diatomic Gases to Cytochrome C'. J.Biol.Inorg.Chem., 20, 2015
|
|
4D1A
| STRUCTURE OF MHP1, A NUCLEOBASE-CATION-SYMPORT-1 FAMILY TRANSPORTER, IN A CLOSED CONFORMATION WITH INDOLYLMETHYL-HYDANTOIN | 分子名称: | (5S)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione, HYDANTOIN TRANSPORT PROTEIN, SODIUM ION | 著者 | Weyand, S, Brueckner, F, Geng, T, Drew, D, Iwata, S, Henderson, P.J.F, Cameron, A.D. | 登録日 | 2014-05-01 | 公開日 | 2014-07-02 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Molecular Mechanism of Ligand Recognition by Membrane Transport Protein, Mhp1. Embo J., 33, 2014
|
|
4J9T
| Crystal structure of a putative, de novo designed unnatural amino acid dependent metalloprotein, northeast structural genomics consortium target OR61 | 分子名称: | ARSENIC, GLYCEROL, designed unnatural amino acid dependent metalloprotein | 著者 | Forouhar, F, Lew, S, Seetharaman, J, Mills, J.H, Khare, S.D, Everett, J.K, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2013-02-17 | 公開日 | 2013-03-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy. J.Am.Chem.Soc., 135, 2013
|
|
4JQI
| Structure of active beta-arrestin1 bound to a G protein-coupled receptor phosphopeptide | 分子名称: | 1,2-ETHANEDIOL, Beta-arrestin-1, CHLORIDE ION, ... | 著者 | Shukla, A.K, Manglik, A, Kruse, A.C, Xiao, K, Reis, R.I, Tseng, W.C, Staus, D.P, Hilger, D, Uysal, S, Huang, L.H, Paduch, M, Shukla, P.T, Koide, A, Koide, S, Weis, W.I, Kossiakoff, A.A, Kobilka, B.K, Lefkowitz, R.J. | 登録日 | 2013-03-20 | 公開日 | 2013-04-17 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure of active beta-arrestin-1 bound to a G-protein-coupled receptor phosphopeptide. Nature, 497, 2013
|
|
4D0F
| Human Notch1 EGF domains 11-13 mutant T466A | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | 著者 | Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A. | 登録日 | 2014-04-25 | 公開日 | 2014-05-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4CNZ
| |
4COM
| Crystal structure of the anaerobic ribonucleotide reductase from Thermotoga maritima with MES in the active site | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ANAEROBIC RIBONUCLEOSIDE-TRIPHOSPHATE REDUCTASE, PENTAETHYLENE GLYCOL, ... | 著者 | Aurelius, O, Johansson, R, Bagenholm, V, Beck, T, Balhuizen, A, Lundin, D, Sjoberg, B.M, Mulliez, E, Logan, D.T. | 登録日 | 2014-01-29 | 公開日 | 2015-01-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | The Crystal Structure of Thermotoga Maritima Class III Ribonucleotide Reductase Lacks a Radical Cysteine Pre-Positioned in the Active Site. Plos One, 10, 2015
|
|
4CUE
| Human Notch1 EGF domains 11-13 mutant T466V | 分子名称: | CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | 著者 | Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A. | 登録日 | 2014-03-18 | 公開日 | 2014-05-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4CO0
| |
4CPH
| trans-divalent streptavidin with love-hate ligand 4 | 分子名称: | 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide, STREPTAVIDIN | 著者 | Fairhead, M, Shen, D, Chan, L.K.M, Lowe, E.D, Donohoe, T.J, Howarth, M. | 登録日 | 2014-02-06 | 公開日 | 2014-08-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction. Bioorg.Med.Chem., 22, 2014
|
|
4D5H
| Focal Adhesion Kinase catalytic domain | 分子名称: | 6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4H)-one, FOCAL ADHESION KINASE 1, SULFATE ION | 著者 | Le Coq, J, Lin, A, Lietha, D. | 登録日 | 2014-11-05 | 公開日 | 2015-02-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP. Biophys.J., 108, 2015
|
|
4D7T
| Structure of the SthK Carboxy-Terminal Region in complex with cAMP | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, STHK_CNBD_CAMP | 著者 | Kesters, D, Brams, M, Nys, M, Wijckmans, E, Spurny, R, Voets, T, Tytgat, J, Ulens, C. | 登録日 | 2014-11-27 | 公開日 | 2015-02-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.582 Å) | 主引用文献 | Structure of the SthK Carboxy-Terminal Region Reveals a Gating Mechanism for Cyclic Nucleotide-Modulated Ion Channels. Plos One, 10, 2015
|
|