4CNY
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4CO2
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4D4I
| Understanding bi-specificity of A-domains | Descriptor: | APNAA1, ARGININE, GLYCEROL, ... | Authors: | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | Deposit date: | 2014-10-29 | Release date: | 2015-07-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids. Angew.Chem.Int.Ed.Engl., 54, 2015
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4D58
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4CZB
| Structure of the sodium proton antiporter MjNhaP1 from Methanocaldococcus jannaschii at pH 8. | Descriptor: | NA(+)/H(+) ANTIPORTER 1, POTASSIUM ION, TRIS(HYDROXYETHYL)AMINOMETHANE | Authors: | Woehlert, D, Paulino, C, Kapotova, E, Kuhlbrandt, W, Yildiz, O. | Deposit date: | 2014-04-16 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | 3D Em Map of the Sodium Proton Antiporter Mjnhap1 from Methanocaldococcus Jannaschii Elife, 3, 2014
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4CVA
| MPS1 kinase with 3-aminopyridin-2-one inhibitors | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | Authors: | Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K. | Deposit date: | 2014-03-24 | Release date: | 2015-04-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 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
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4D4Y
| Focal Adhesion Kinase catalytic domain | Descriptor: | DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE 1, SULFATE ION | Authors: | Le Coq, J, Lin, A, Lietha, D. | Deposit date: | 2014-10-31 | Release date: | 2015-02-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP. Biophys.J., 108, 2015
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4CW9
| Entamoeba histolytica thiredoxin C34S mutant | Descriptor: | THIOREDOXIN | Authors: | Parsonage, D, Kells, P.M, Vieira, D.F, Hirata, K, Debnath, A, Poole, L.B, McKerrow, J.H, Reed, S.L, Podust, L.M. | Deposit date: | 2014-04-01 | Release date: | 2015-05-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | 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
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4CQ0
| Cyclic secondary sulfonamides: unusually good inhibitors of cancer- related carbonic anhydrase enzymes | Descriptor: | 6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide, CARBONIC ANHYDRASE 2, FORMIC ACID, ... | Authors: | Moeker, J, Peat, T.S, Bornaghi, L.F, Vullo, D, Supuran, C.T, Poulsen, S. | Deposit date: | 2014-02-10 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Cyclic Secondary Sulfonamides: Unusually Good Inhibitors of Cancer-Related Carbonic Anhydrase Enzymes. J.Med.Chem., 57, 2014
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4CQE
| B-Raf Kinase V600E mutant in complex with a diarylthiazole B-Raf Inhibitor | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2014-02-14 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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
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4D1D
| STRUCTURE OF MHP1, A NUCLEOBASE-CATION-SYMPORT-1 FAMILY TRANSPORTER with the inhibitor 5-(2-naphthylmethyl)-L-hydantoin. | Descriptor: | 5-(2-NAPHTHYLMETHYL)-D-HYDANTOIN, 5-(2-NAPHTHYLMETHYL)-L-HYDANTOIN, HYDANTOIN TRANSPORT PROTEIN, ... | Authors: | Weyand, S, Brueckner, F, Geng, T, Drew, D, Iwata, S, Henderson, P.J.F, Cameron, A.D. | Deposit date: | 2014-05-01 | Release date: | 2014-07-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Molecular Mechanism of Ligand Recognition by Membrane Transport Protein, Mhp1. Embo J., 33, 2014
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4D55
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4D6T
| Cytochrome bc1 bound to the 4(1H)-pyridone GW844520 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 3-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol, CARDIOLIPIN, ... | Authors: | 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. | Deposit date: | 2014-11-14 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.57 Å) | Cite: | Antimalarial 4(1H)-Pyridones Bind to the Qi Site of Cytochrome Bc1. Proc.Natl.Acad.Sci.USA, 112, 2015
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4CV8
| MPS1 kinase with 3-aminopyridin-2-one inhibitors | Descriptor: | 1,2-ETHANEDIOL, 3-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-2(1H)-one, DUAL SPECIFICITY PROTEIN KINASE TTK | Authors: | Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K. | Deposit date: | 2014-03-24 | Release date: | 2015-04-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 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
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4CPE
| Wild-type streptavidin in complex with love-hate ligand 1 (LH1) | Descriptor: | (3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide, STREPTAVIDIN | Authors: | Fairhead, M, Shen, D, Chan, L.K.M, Lowe, E.D, Donohoe, T.J, Howarth, M. | Deposit date: | 2014-02-06 | Release date: | 2014-08-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction. Bioorg.Med.Chem., 22, 2014
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4D5U
| Structure of OmpF in I2 | Descriptor: | OUTER MEMBRANE PROTEIN F | Authors: | Chaptal, V, Kilburg, A, Flot, D, Wiseman, B, Aghajari, N, Jault, J.M, Falson, P. | Deposit date: | 2014-11-07 | Release date: | 2015-12-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Two Different Centered Monoclinic Crystals of the E. Coli Outer-Membrane Protein Ompf Originate from the Same Building Block. Biochim.Biophys.Acta, 1858, 2016
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4CVY
| Crystal structure of the M. tuberculosis sulfate ester dioxygenase Rv3406 in complex with iron. | Descriptor: | DIOXYGENASE RV3406/MT3514, FE (III) ION, NITRATE ION | Authors: | 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. | Deposit date: | 2014-03-31 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium Tuberculosis Through Noncovalent Inhibition of Dpre1. Acs Chem.Biol., 10, 2015
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4CX9
| The 5-coordinate proximal NO complex of cytochrome c prime from Shewanella frigidimarina | Descriptor: | CYTOCHROME C, CLASS II, GLYCEROL, ... | Authors: | Manole, A.A, Kekilli, D, Dobbin, P.S, Hough, M.A. | Deposit date: | 2014-04-04 | Release date: | 2015-04-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Conformational Control of the Binding of Diatomic Gases to Cytochrome C'. J.Biol.Inorg.Chem., 20, 2015
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4D1A
| STRUCTURE OF MHP1, A NUCLEOBASE-CATION-SYMPORT-1 FAMILY TRANSPORTER, IN A CLOSED CONFORMATION WITH INDOLYLMETHYL-HYDANTOIN | Descriptor: | (5S)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione, HYDANTOIN TRANSPORT PROTEIN, SODIUM ION | Authors: | Weyand, S, Brueckner, F, Geng, T, Drew, D, Iwata, S, Henderson, P.J.F, Cameron, A.D. | Deposit date: | 2014-05-01 | Release date: | 2014-07-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Molecular Mechanism of Ligand Recognition by Membrane Transport Protein, Mhp1. Embo J., 33, 2014
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4D7M
| TetR(D) in complex with anhydrotetracycline and magnesium | Descriptor: | 5A,6-ANHYDROTETRACYCLINE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Werten, S, Dalm, D, Palm, G.J, Hinrichs, W. | Deposit date: | 2014-11-25 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition. Biochemistry, 53, 2014
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4D1B
| STRUCTURE OF MHP1, A NUCLEOBASE-CATION-SYMPORT-1 FAMILY TRANSPORTER, IN A CLOSED CONFORMATION WITH BENZYL-HYDANTOIN | Descriptor: | (5S)-5-benzylimidazolidine-2,4-dione, HYDANTOIN TRANSPORT PROTEIN, SODIUM ION | Authors: | Brueckner, F, Geng, T, Weyand, S, Drew, D, Iwata, S, Henderson, P.J.F, Cameron, A.D. | Deposit date: | 2014-05-01 | Release date: | 2014-07-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Molecular Mechanism of Ligand Recognition by Membrane Transport Protein, Mhp1. Embo J., 33, 2014
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4D56
| Understanding bi-specificity of A-domains | Descriptor: | ADENOSINE MONOPHOSPHATE, APNAA1, GLYCEROL, ... | Authors: | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | Deposit date: | 2014-11-03 | Release date: | 2015-07-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids. Angew.Chem.Int.Ed.Engl., 54, 2015
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4D6U
| Cytochrome bc1 bound to the 4(1H)-pyridone GSK932121 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol, CARDIOLIPIN, ... | Authors: | Capper, M.J, ONeill, 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. | Deposit date: | 2014-11-14 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (4.09 Å) | Cite: | Antimalarial 4(1H)-Pyridones Bind to the Qi Site of Cytochrome Bc1. Proc.Natl.Acad.Sci.USA, 112, 2015
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4D49
| Crystal structure of computationally designed armadillo repeat proteins for modular peptide recognition. | Descriptor: | ARGININE, ARMADILLO REPEAT PROTEIN ARM00027, POLY ARG DECAPEPTIDE | Authors: | Reichen, C, Forzani, C, Zhou, T, Parmeggiani, F, Fleishman, S.J, Mittl, P.R.E, Madhurantakam, C, Honegger, A, Ewald, C, Zerbe, O, Baker, D, Caflisch, A, Pluckthun, A. | Deposit date: | 2014-10-27 | Release date: | 2016-01-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Computationally Designed Armadillo Repeat Proteins for Modular Peptide Recognition. J.Mol.Biol., 428, 2016
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4D4E
| Crystal structure of computationally designed armadillo repeat proteins for modular peptide recognition. | Descriptor: | ARMADILLO REPEAT PROTEIN ARM00016, GLYCEROL | Authors: | Reichen, C, Forzani, C, Zhou, T, Parmeggiani, F, Fleishman, S.J, Mittl, P.R.E, Madhurantakam, C, Honegger, A, Ewald, C, Zerbe, O, Baker, D, Caflisch, A, Pluckthun, A. | Deposit date: | 2014-10-28 | Release date: | 2016-01-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computationally Designed Armadillo Repeat Proteins for Modular Peptide Recognition. J.Mol.Biol., 428, 2016
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