4WD4
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![BU of 4wd4 by Molmil](/molmil-images/mine/4wd4) | Crystal structure of human HO1 H25R | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Caaveiro, J.M.M, Morante, K, Sigala, P, Tsumoto, K. | Deposit date: | 2014-09-06 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | In-Cell Enzymology To Probe His-Heme Ligation in Heme Oxygenase Catalysis Biochemistry, 55, 2016
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4UZJ
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4US4
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![BU of 4us4 by Molmil](/molmil-images/mine/4us4) | Crystal Structure of the Bacterial NSS Member MhsT in an Occluded Inward-Facing State (lipidic cubic phase form) | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, SODIUM ION, ... | Authors: | Malinauskaite, L, Quick, M, Reinhard, L, Lyons, J.A, Yano, H, Javitch, J.A, Nissen, P. | Deposit date: | 2014-07-02 | Release date: | 2014-09-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A Mechanism for Intracellular Release of Na+ by Neurotransmitter/Sodium Symporters Nat.Struct.Mol.Biol., 21, 2014
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4UYQ
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4W4O
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![BU of 4w4o by Molmil](/molmil-images/mine/4w4o) | High-resolution crystal structure of Fc bound to its human receptor Fc-gamma-RI | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ... | Authors: | Caaveiro, J.M.M, Kiyoshi, M, Tsumoto, K. | Deposit date: | 2014-08-15 | Release date: | 2015-04-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for binding of human IgG1 to its high-affinity human receptor Fc gamma RI Nat Commun, 6, 2015
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4W82
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![BU of 4w82 by Molmil](/molmil-images/mine/4w82) | Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase | Descriptor: | CHLORIDE ION, Fatty acid synthase, MAGNESIUM ION, ... | Authors: | Sippel, K.H, Vyas, N.K, Sankaran, B, Quiocho, F.A. | Deposit date: | 2014-08-22 | Release date: | 2014-10-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the human Fatty Acid synthase enoyl-acyl carrier protein-reductase domain complexed with triclosan reveals allosteric protein-protein interface inhibition. J.Biol.Chem., 289, 2014
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4W9C
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![BU of 4w9c by Molmil](/molmil-images/mine/4w9c) | pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(oxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 2) | Descriptor: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | Authors: | Gadd, M.S, Hewitt, S, Galdeano, C, van Molle, I, Ciulli, A. | Deposit date: | 2014-08-27 | Release date: | 2014-09-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities. J.Med.Chem., 57, 2014
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4W9R
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![BU of 4w9r by Molmil](/molmil-images/mine/4w9r) | Crystal structure of uncharacterised protein Coch_1243 from Capnocytophaga ochracea DSM 7271 | Descriptor: | ACETATE ION, GLYCEROL, Uncharacterized protein | Authors: | Chang, C, Wu, R, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-08-27 | Release date: | 2014-09-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.703 Å) | Cite: | Crystal structure of uncharacterised protein Coch_1243 from Capnocytophaga ochracea DSM 7271 To Be Published
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4WBL
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![BU of 4wbl by Molmil](/molmil-images/mine/4wbl) | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation F235A | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION, GLYCEROL | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | Deposit date: | 2014-09-03 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase. Sci Rep, 5, 2015
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4WC4
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![BU of 4wc4 by Molmil](/molmil-images/mine/4wc4) | tRNA-processing enzyme complex 2 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Poly A polymerase, RNA (74-MER) | Authors: | Yamashita, S, Tomita, K. | Deposit date: | 2014-09-04 | Release date: | 2015-04-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.501 Å) | Cite: | Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme. Structure, 23, 2015
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4V1F
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4W1W
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![BU of 4w1w by Molmil](/molmil-images/mine/4w1w) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 7-(diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one | Descriptor: | 1,2-ETHANEDIOL, 7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2H-chromen-2-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | Authors: | Finzel, B.C, Ran, D. | Deposit date: | 2014-08-13 | Release date: | 2015-02-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis. Chem.Biol., 22, 2015
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4V9G
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![BU of 4v9g by Molmil](/molmil-images/mine/4v9g) | RC-LH1-PufX dimer complex from Rhodobacter sphaeroides | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ... | Authors: | Qian, P, Papiz, M.Z, Jackson, P.J, Brindley, A.A, Ng, I.W, Olsen, J.D, Dickman, M.J, Bullough, P.A, Hunter, C.N. | Deposit date: | 2013-02-21 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (7.78 Å) | Cite: | Three-Dimensional Structure of the Rhodobacter sphaeroides RC-LH1-PufX Complex: Dimerization and Quinone Channels Promoted by PufX. Biochemistry, 52, 2013
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4W5H
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4W6V
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![BU of 4w6v by Molmil](/molmil-images/mine/4w6v) | Crystal structure of a peptide transporter from Yersinia enterocolitica at 3 A resolution | Descriptor: | Di-/tripeptide transporter | Authors: | Jeckelmann, J.-M, Boggavarapu, R, Harder, D, Ucurum, Z, Fotiadis, D. | Deposit date: | 2014-08-21 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.01819 Å) | Cite: | Role of electrostatic interactions for ligand recognition and specificity of peptide transporters. Bmc Biol., 13, 2015
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4W5K
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4W5W
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![BU of 4w5w by Molmil](/molmil-images/mine/4w5w) | Rubisco activase from Arabidopsis thaliana | Descriptor: | Ribulose bisphosphate carboxylase/oxygenase activase, chloroplastic, SULFATE ION | Authors: | Hasse, D, Larsson, A.M, Andersson, I. | Deposit date: | 2014-08-19 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of Arabidopsis thaliana Rubisco activase Acta Crystallogr.,Sect.D, 71, 2015
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4W7T
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![BU of 4w7t by Molmil](/molmil-images/mine/4w7t) | Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990 | Descriptor: | (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6H)-one, Heat shock protein HSP 90-alpha | Authors: | Bellamacina, C.R, Shafer, C.M, Bussiere, D. | Deposit date: | 2014-08-22 | Release date: | 2014-11-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Structure-Activity Relationship, and in Vivo Characterization of the Development Candidate NVP-HSP990. J.Med.Chem., 57, 2014
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4W7P
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![BU of 4w7p by Molmil](/molmil-images/mine/4w7p) | Crystal Structure of ROCK 1 bound to YB-15-QD37 | Descriptor: | N~1~-[2-(1H-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine, Rho-associated protein kinase 1 | Authors: | Sprague, E.R. | Deposit date: | 2014-08-22 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Novel ROCK inhibitors for the treatment of pulmonary arterial hypertension. Bioorg.Med.Chem.Lett., 24, 2014
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4W9G
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![BU of 4w9g by Molmil](/molmil-images/mine/4w9g) | pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(3-methyl-4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 6) | Descriptor: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | Authors: | Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A. | Deposit date: | 2014-08-27 | Release date: | 2014-09-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities. J.Med.Chem., 57, 2014
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4W84
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![BU of 4w84 by Molmil](/molmil-images/mine/4w84) | Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from ruminal metagenomic library, in the native form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Xyloglucan-specific endo-beta-1,4-glucanase | Authors: | Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T. | Deposit date: | 2014-08-22 | Release date: | 2015-03-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family. Biochemistry, 54, 2015
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4W9N
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![BU of 4w9n by Molmil](/molmil-images/mine/4w9n) | Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase complexed with triclosan | Descriptor: | CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase, IMIDAZOLE, ... | Authors: | Sippel, K.H, Vyas, N.K, Sankaran, B, Quiocho, F.A. | Deposit date: | 2014-08-27 | Release date: | 2014-10-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structure of the human Fatty Acid synthase enoyl-acyl carrier protein-reductase domain complexed with triclosan reveals allosteric protein-protein interface inhibition. J.Biol.Chem., 289, 2014
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4WAV
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![BU of 4wav by Molmil](/molmil-images/mine/4wav) | Crystal Structure of Haloquadratum walsbyi bacteriorhodopsin mutant D93N | Descriptor: | Bacteriorhodopsin-I, RETINAL, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate | Authors: | Wang, A.H.J, Hsu, M.F, Yang, C.S, Fu, H.Y. | Deposit date: | 2014-09-02 | Release date: | 2015-09-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of an acid-tolerant light-driven proton pump at 1.85 Angstroms resolution To be published
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4W9D
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![BU of 4w9d by Molmil](/molmil-images/mine/4w9d) | pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methyloxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 3) | Descriptor: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | Authors: | Gadd, M.S, Hewitt, S, Galdeano, C, van Molle, I, Ciulli, A. | Deposit date: | 2014-08-27 | Release date: | 2014-09-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities. J.Med.Chem., 57, 2014
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4W9O
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![BU of 4w9o by Molmil](/molmil-images/mine/4w9o) | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1R)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1R)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F. | Deposit date: | 2014-08-27 | Release date: | 2014-12-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs). Angew.Chem.Int.Ed.Engl., 54, 2015
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