3EDB
| Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser on [150 min] | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | Deposit date: | 2008-09-03 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin Proc.Natl.Acad.Sci.USA, 106, 2009
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4G90
| Crystal structure of Ribonuclease A in complex with 5e | Descriptor: | 1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine, Ribonuclease pancreatic | Authors: | Chatzileontiadou, D.S.M, Kantsadi, A.L, Leonidas, D.D. | Deposit date: | 2012-07-23 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Triazole pyrimidine nucleosides as inhibitors of Ribonuclease A. Synthesis, biochemical, and structural evaluation. Bioorg.Med.Chem., 20, 2012
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4FRK
| Crystal structure of BACE1 in complex with aminooxazoline xanthene 11a | Descriptor: | (4S)-2'-(2-methylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, GLYCEROL, ... | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2012-06-26 | Release date: | 2012-09-12 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease. J.Med.Chem., 55, 2012
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3E5I
| Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser off | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | Deposit date: | 2008-08-14 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin Proc.Natl.Acad.Sci.USA, 106, 2009
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4GB1
| Synthesis and Evaluation of Novel 3-C-alkylated-Neu5Ac2en Derivatives as Probes of Influenza Virus Sialidase 150-loop flexibility | Descriptor: | 5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid, CALCIUM ION, Neuraminidase | Authors: | Kerry, P.S, Rudrawar, S, Rameix-Welti, M.-A, Maggioni, A, Dyason, J.C, Rose, F.J, van der Werf, S, Thomson, R.J, Naffakh, N, Russell, R.J.M, von Itzstein, M. | Deposit date: | 2012-07-26 | Release date: | 2012-09-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Synthesis and evaluation of novel 3-C-alkylated-Neu5Ac2en derivatives as probes of influenza virus sialidase 150-loop flexibility. Org.Biomol.Chem., 10, 2012
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4FAE
| Substrate p2/NC in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant | Descriptor: | HIV-1 protease, Substrate p2/NC peptide | Authors: | Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C. | Deposit date: | 2012-05-22 | Release date: | 2012-08-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease. Biology (Basel), 1, 2012
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3GKY
| The Structural Basis of an ER Stress-Associated Bottleneck in a Protein Folding Landscape | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Liu, M, Wan, Z.L, Chu, Y.C, Alddin, H, Klaproth, B, Weiss, M.A. | Deposit date: | 2009-03-11 | Release date: | 2009-03-24 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a "nonfoldable" insulin: IMPAIRED FOLDING EFFICIENCY DESPITE NATIVE ACTIVITY. J.Biol.Chem., 284, 2009
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3H58
| Myoglobin Cavity Mutant H64LV68N Met form | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Soman, J, Olson, J.S. | Deposit date: | 2009-04-21 | Release date: | 2009-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Optical detection of disordered water within a protein cavity. J.Am.Chem.Soc., 131, 2009
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4B49
| 1.15 A Structure of Lysozyme Crystallized without 2-methyl-2,4- pentanediol | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, LYSOZYME C | Authors: | Jakoncic, J, Berger, J, Stauber, M, Axelbaum, A, Asherie, N. | Deposit date: | 2012-07-28 | Release date: | 2012-08-22 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystallization of Lysozyme with (R)-, (S)- and (Rs)-2-Methyl-2,4-Pentanediol Acta Crystallogr.,Sect.D, 71, 2015
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3GPR
| Crystal structure of rhodocetin | Descriptor: | Rhodocetin subunit alpha, Rhodocetin subunit beta, Rhodocetin subunit delta, ... | Authors: | Stetefeld, J. | Deposit date: | 2009-03-23 | Release date: | 2009-12-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The alpha2beta1 integrin-specific antagonist rhodocetin is a cruciform, heterotetrameric molecule Faseb J., 23, 2009
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4G2G
| Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol | Descriptor: | 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol, Cytochrome P450 121, DIMETHYL SULFOXIDE, ... | Authors: | Hudson, S.A. | Deposit date: | 2012-07-12 | Release date: | 2012-09-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
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4FF9
| Crystal Structure of cysteinylated WT SOD1. | Descriptor: | COPPER (II) ION, CYSTEINE, Superoxide dismutase [Cu-Zn], ... | Authors: | Auclair, J.R, Brodkin, H.R, D'Aquino, J.A, Ringe, D, Petsko, G.A, Agar, J.N. | Deposit date: | 2012-05-31 | Release date: | 2013-09-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5003 Å) | Cite: | Structural consequences of cysteinylation of cu/zn-superoxide dismutase. Biochemistry, 52, 2013
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4GID
| Structure of beta-secretase complexed with inhibitor | Descriptor: | Beta-secretase 1, L-PROLINAMIDE, N-[(2S)-1-({(2S,3R)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | Authors: | Ghosh, A, Tang, J, Venkateswara, R.K, Yadav, N, Anderson, D, Gavande, N, Huang, X, Terzyan, S. | Deposit date: | 2012-08-08 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of highly selective beta-secretase inhibitors: synthesis, biological evaluation, and protein-ligand X-ray crystal structure. J.Med.Chem., 55, 2012
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3GKV
| X-ray structure of an intermediate along the oxidation pathway of Trematomus bernacchii hemoglobin | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Merlino, A, Vitagliano, L, Sica, F, Vergara, A, Mazzarella, L. | Deposit date: | 2009-03-11 | Release date: | 2009-05-05 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Combined crystallographic and spectroscopic analysis of Trematomus bernacchii hemoglobin highlights analogies and differences in the peculiar oxidation pathway of Antarctic fish hemoglobins Biopolymers, 91, 2009
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4GJ0
| Crystal structure of CD23 lectin domain mutant S252A | Descriptor: | GLYCEROL, Low affinity immunoglobulin epsilon Fc receptor, SULFATE ION | Authors: | Yuan, D, Sutton, B.J, Dhaliwal, B. | Deposit date: | 2012-08-09 | Release date: | 2013-06-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.953 Å) | Cite: | Ca2+-dependent Structural Changes in the B-cell Receptor CD23 Increase Its Affinity for Human Immunoglobulin E. J.Biol.Chem., 288, 2013
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4FBN
| Insights into structural integration of the PLCgamma regulatory region and mechanism of autoinhibition and activation based on key roles of SH2 domains | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | Authors: | Cole, A.R, Mas-Droux, C.P, Bunney, T.D, Katan, M. | Deposit date: | 2012-05-23 | Release date: | 2012-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Functional Integration of the PLCgamma Interaction Domains Critical for Regulatory Mechanisms and Signaling Deregulation. Structure, 20, 2012
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4G7G
| Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the VNI derivative (R)-N-(1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide [VNI/VNF (VFV)] | Descriptor: | N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha-demethylase | Authors: | Hargrove, T.Y, Wawrzak, Z, Waterman, M.R, Lepesheva, G.I. | Deposit date: | 2012-07-20 | Release date: | 2013-07-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis. J Infect Dis, 212, 2015
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4GK1
| Crystal structure of CD23 lectin domain mutant D270A | Descriptor: | GLYCEROL, Low affinity immunoglobulin epsilon Fc receptor, SULFATE ION | Authors: | Yuan, D, Sutton, B.J, Dhaliwal, B. | Deposit date: | 2012-08-10 | Release date: | 2013-06-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.236 Å) | Cite: | Ca2+-dependent Structural Changes in the B-cell Receptor CD23 Increase Its Affinity for Human Immunoglobulin E. J.Biol.Chem., 288, 2013
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4B7Q
| H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE, ... | Authors: | Liu, J, van der Vries, E, Vachieri, S.G, Xiong, X, Collins, P.J, Walker, P.A, Haire, L.F, Hay, A.J, Schutten, M, Osterhaus, A.D.M.E, Martin, S.R, Boucher, C.A.B, Skehel, J.J, Gamblin, S.J. | Deposit date: | 2012-08-21 | Release date: | 2012-10-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.728 Å) | Cite: | H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis Plos Pathog., 8, 2012
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4FSL
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4GA7
| Crystal structure of human serpinB1 mutant | Descriptor: | Leukocyte elastase inhibitor | Authors: | Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z. | Deposit date: | 2012-07-25 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Identification of SERPINB1 as a physiological inhibitor of human granzyme H J.Immunol., 190, 2013
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4ATI
| MITF:M-box complex | Descriptor: | 5'-D(*AP*GP*GP*GP*TP*CP*AP*TP*GP*TP*GP*CP*TP*AP*AP*C)-3', 5'-D(*GP*TP*TP*AP*GP*CP*AP*CP*AP*TP*GP*AP*CP*CP*CP*T)-3', MICROPHTHALMIA-ASSOCIATED TRANSCRIPTION FACTOR | Authors: | Pogenberg, V, Deineko, V, Wilmanns, M. | Deposit date: | 2012-05-08 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Restricted Leucine Zipper Dimerization and Specificity of DNA Recognition of the Melanocyte Master Regulator Mitf Genes Dev., 26, 2012
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4GBI
| Crystal structure of aspart insulin at pH 6.5 | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Lima, L.M.T.R, Favero-Retto, M.P, Palmieri, L.C. | Deposit date: | 2012-07-27 | Release date: | 2013-06-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | A T3R3 hexamer of the human insulin variant B28Asp. Biophys.Chem., 173, 2013
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4GBL
| Crystal structure of aspart insulin at pH 8.5 | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Lima, L.M.T.R, Favero-Retto, M.P, Palmieri, L.C. | Deposit date: | 2012-07-27 | Release date: | 2013-06-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A T3R3 hexamer of the human insulin variant B28Asp. Biophys.Chem., 173, 2013
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4GCB
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