2D46
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![BU of 2d46 by Molmil](/molmil-images/mine/2d46) | Solution Structure of the Human Beta4a-A Domain | Descriptor: | calcium channel, voltage-dependent, beta 4 subunit isoform a | Authors: | Vendel, A.C, Rithner, C.D, Lyons, B.A, Horne, W.A. | Deposit date: | 2005-10-10 | Release date: | 2005-10-25 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the N-terminal A domain of the human voltage-gated Ca2+channel beta4a subunit Protein Sci., 15, 2006
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1YWT
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![BU of 1ywt by Molmil](/molmil-images/mine/1ywt) | Crystal structure of the human sigma isoform of 14-3-3 in complex with a mode-1 phosphopeptide | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, synthetic optimal phosphopeptide (mode-1) | Authors: | Wilker, E.W, Grant, R.A, Artim, S.C, Yaffe, M.B. | Deposit date: | 2005-02-18 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A structural basis for 14-3-3sigma functional specificity. J.Biol.Chem., 280, 2005
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2D7F
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![BU of 2d7f by Molmil](/molmil-images/mine/2d7f) | Crystal structure of A lectin from canavalia gladiata seeds complexed with alpha-methyl-mannoside and alpha-aminobutyric acid | Descriptor: | CALCIUM ION, Concanavalin A, D-ALPHA-AMINOBUTYRIC ACID, ... | Authors: | Delatorre, P, Rocha, B.A.M, Souza, E.P, Freitas, B.T, Moreno, F.B.B.M, Sampaio, A.H, Azevedo Jr, W.F, Cavada, B.S. | Deposit date: | 2005-11-19 | Release date: | 2006-12-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structure of a lectin from Canavalia gladiata seeds: new structural insights for old molecules Bmc Struct.Biol., 7, 2007
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2NTZ
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![BU of 2ntz by Molmil](/molmil-images/mine/2ntz) | |
2HVD
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![BU of 2hvd by Molmil](/molmil-images/mine/2hvd) | Human nucleoside diphosphate kinase A complexed with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A | Authors: | Giraud, M.-F, Georgescauld, F, Lascu, I, Dautant, A. | Deposit date: | 2006-07-28 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structures of S120G Mutant and Wild Type of Human Nucleoside Diphosphate Kinase A in Complex with ADP J.Bioenerg.Biomembr., 38, 2006
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2HVE
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![BU of 2hve by Molmil](/molmil-images/mine/2hve) | S120G mutant of human nucleoside diphosphate kinase A complexed with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A | Authors: | Giraud, M.-F, Georgescauld, F, Lascu, I, Dautant, A. | Deposit date: | 2006-07-28 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Crystal Structures of S120G Mutant and Wild Type of Human Nucleoside Diphosphate Kinase A in Complex with ADP J.Bioenerg.Biomembr., 38, 2006
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2P8S
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![BU of 2p8s by Molmil](/molmil-images/mine/2p8s) | Human dipeptidyl peptidase IV/CD26 in complex with a cyclohexalamine inhibitor | Descriptor: | (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G, Biftu, T. | Deposit date: | 2007-03-23 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational design of a novel, potent, and orally bioavailable cyclohexylamine DPP-4 inhibitor by application of molecular modeling and X-ray crystallography of sitagliptin Bioorg.Med.Chem.Lett., 17, 2007
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1Z1G
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![BU of 1z1g by Molmil](/molmil-images/mine/1z1g) | Crystal structure of a lambda integrase tetramer bound to a Holliday junction | Descriptor: | 25-MER, 29-MER, 5'-D(*AP*CP*AP*GP*GP*TP*CP*AP*CP*TP*AP*TP*CP*AP*GP*TP*CP*AP*AP*AP*AP*TP*AP*CP*C)-3', ... | Authors: | Biswas, T, Aihara, H, Radman-Livaja, M, Filman, D, Landy, A, Ellenberger, T. | Deposit date: | 2005-03-03 | Release date: | 2005-06-28 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (4.4 Å) | Cite: | A structural basis for allosteric control of DNA recombination by lambda integrase. Nature, 435, 2005
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2OYP
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![BU of 2oyp by Molmil](/molmil-images/mine/2oyp) | T Cell Immunoglobulin Mucin-3 Crystal Structure Revealed a Galectin-9-independent Binding Surface | Descriptor: | Hepatitis A virus cellular receptor 2, SULFATE ION | Authors: | Cao, E, Ramagopal, U.A, Fedorov, A.A, Fedorov, E.V, Nathenson, S.G, Almo, S.C. | Deposit date: | 2007-02-22 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | T cell immunoglobulin mucin-3 crystal structure reveals a galectin-9-independent ligand-binding surface Immunity, 26, 2007
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2DG2
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![BU of 2dg2 by Molmil](/molmil-images/mine/2dg2) | Crystal Structure of Mouse Apolipoprotein A-I Binding Protein | Descriptor: | Apolipoprotein A-I binding protein, CHLORIDE ION, SULFATE ION | Authors: | Shumilin, I.A, Jha, K.N, Zheng, H, Chruszcz, M, Cymborowski, M, Herr, J.C, Minor, W. | Deposit date: | 2006-03-08 | Release date: | 2007-03-27 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Biochemical and structural characterization of apolipoprotein A-I binding protein, a novel phosphoprotein with a potential role in sperm capacitation. Endocrinology, 149, 2008
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2QIF
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![BU of 2qif by Molmil](/molmil-images/mine/2qif) | Crystal structure of a metallochaperone with a tetranuclear Cu(I) cluster | Descriptor: | ACETATE ION, CALCIUM ION, COPPER (I) ION, ... | Authors: | West, C, Singleton, C, Kihlken, M.A, Le Brun, N.E, Hemmings, A.M. | Deposit date: | 2007-07-04 | Release date: | 2008-07-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A tetranuclear Cu(I) cluster in the metallochaperone protein CopZ. Biochemistry, 48, 2009
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2K0L
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![BU of 2k0l by Molmil](/molmil-images/mine/2k0l) | NMR structure of the transmembrane domain of the Outer Membrane Protein A from Klebsiella pneumoniae in DHPC micelles. | Descriptor: | Outer membrane protein A | Authors: | Renault, M, Saurel, O, Gervais, V, Lohr, F, Reat, V, Piotto, M, Milon, A. | Deposit date: | 2008-02-04 | Release date: | 2008-12-23 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution state NMR structure and dynamics of KpOmpA, a 210 residue transmembrane domain possessing a high potential for immunological applications. J.Mol.Biol., 385, 2009
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1TVO
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![BU of 1tvo by Molmil](/molmil-images/mine/1tvo) | The structure of ERK2 in complex with a small molecule inhibitor | Descriptor: | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, Mitogen-activated protein kinase 1 | Authors: | Kinoshita, T. | Deposit date: | 2004-06-30 | Release date: | 2005-09-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of a selective ERK inhibitor and structural determination of the inhibitor-ERK2 complex Biochem.Biophys.Res.Commun., 336, 2005
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2J47
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![BU of 2j47 by Molmil](/molmil-images/mine/2j47) | Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with a imidazole-pugnac hybrid inhibitor | Descriptor: | (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE, GLUCOSAMINIDASE, GLYCEROL | Authors: | Dennis, R.J, Davies, G.J. | Deposit date: | 2006-08-25 | Release date: | 2006-10-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Inhibition of O-Glcnacase by a Gluco-Configured Nagstatin and a Pugnac-Imidazole Hybrid Inhibitor Chem. Commun., 42, 2006
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2BMM
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![BU of 2bmm by Molmil](/molmil-images/mine/2bmm) | X-ray structure of a novel thermostable hemoglobin from the actinobacterium Thermobifida fusca | Descriptor: | ACETATE ION, PROTOPORPHYRIN IX CONTAINING FE, THERMOSTABLE HEMOGLOBIN FROM THERMOBIFIDA FUSCA | Authors: | Ilari, A, Franceschini, S, Bonamore, A, Boffi, A. | Deposit date: | 2005-03-15 | Release date: | 2005-07-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | A Novel Thermostable Hemoglobin from the Actinobacterium Thermobifida Fusca. FEBS J., 272, 2005
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2MB3
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![BU of 2mb3 by Molmil](/molmil-images/mine/2mb3) | Solution structure of an intramolecular (3+1) human telomeric G-quadruplex bound to a telomestatin derivative | Descriptor: | (12S,27S)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2. 1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dode caene-10,25-dione, DNA_(5'-D(*TP*TP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*A)-3') | Authors: | Chung, W.J, Heddi, B, Tera, M, Iida, K, Nagasawa, K, Phan, A.T. | Deposit date: | 2013-07-24 | Release date: | 2013-08-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of an intramolecular (3 + 1) human telomeric g-quadruplex bound to a telomestatin derivative. J.Am.Chem.Soc., 135, 2013
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2BNS
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![BU of 2bns by Molmil](/molmil-images/mine/2bns) | Lipidic cubic phase grown reaction centre from Rhodobacter sphaeroides, excited state | Descriptor: | 2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | Authors: | Katona, G, Snijder, A, Gourdon, P, Andreasson, U, Hansson, O, Andreasson, L.E, Neutze, R. | Deposit date: | 2005-03-31 | Release date: | 2005-05-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Conformational Regulation of Charge Recombination Reactions in a Photosynthetic Bacterial Reaction Centre Nat.Struct.Mol.Biol., 12, 2005
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2I3I
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![BU of 2i3i by Molmil](/molmil-images/mine/2i3i) | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | Descriptor: | (3R,6R,9AR)-2,2-DIMETHYL-6-[(N-METHYL-L-ALANYL)AMINO]-N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-5-OXO-2,3,5,6,9,9A-HEXAHYDRO[1,3]THIAZOLO[3,2-A]AZEPINE-3-CARBOXAMIDE, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Fairbrother, W.J, Franklin, M.C. | Deposit date: | 2006-08-18 | Release date: | 2006-09-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design, synthesis, and biological activity of a potent Smac mimetic that sensitizes cancer cells to apoptosis by antagonizing IAPs. Acs Chem.Biol., 1, 2006
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2CLD
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![BU of 2cld by Molmil](/molmil-images/mine/2cld) | |
2CL7
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![BU of 2cl7 by Molmil](/molmil-images/mine/2cl7) | CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH GTP | Descriptor: | GTPASE HRAS, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Klink, B.U, Goody, R.S, Scheidig, A.J. | Deposit date: | 2006-04-26 | Release date: | 2006-05-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | A Newly Designed Microspectrofluorometer for Kinetic Studies on Protein Crystals in Combination with X-Ray Diffraction. Biophys.J., 91, 2006
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2IIT
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![BU of 2iit by Molmil](/molmil-images/mine/2iit) | Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor | Descriptor: | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G, Biftu, T, Weber, A.E. | Deposit date: | 2006-09-28 | Release date: | 2006-11-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | (3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes Bioorg.Med.Chem.Lett., 17, 2007
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2C78
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![BU of 2c78 by Molmil](/molmil-images/mine/2c78) | EF-Tu complexed with a GTP analog and the antibiotic pulvomycin | Descriptor: | (1S,2S,3E,5E,7E,10S,11S,12S)-12-[(2R,4E,6E,8Z,10R,12E,14E,16Z,18S,19Z)-10,18-DIHYDROXY-12,16,19-TRIMETHYL-11,22-DIOXOOX ACYCLODOCOSA-4,6,8,12,14,16,19-HEPTAEN-2-YL]-2,11-DIHYDROXY-1,10-DIMETHYL-9-OXOTRIDECA-3,5,7-TRIEN-1-YL 6-DEOXY-2,4-DI-O-METHYL-BETA-L-GALACTOPYRANOSIDE, ELONGATION FACTOR TU-A, MAGNESIUM ION, ... | Authors: | Parmeggiani, A, Krab, I.M, Okamura, S, Nielsen, R.C, Nyborg, J, Nissen, P. | Deposit date: | 2005-11-18 | Release date: | 2006-03-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis of the action of pulvomycin and GE2270 A on elongation factor Tu. Biochemistry, 45, 2006
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2N91
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![BU of 2n91 by Molmil](/molmil-images/mine/2n91) | A key amino acid in the control of different functional behavior within the triheme cytochrome family from Geobacter sulfurreducens | Descriptor: | Cytochrome C, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Dantas, J.M, Simoes, T, Bruix, M, Salgueiro, C.A. | Deposit date: | 2015-11-02 | Release date: | 2016-09-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Unveiling the Structural Basis That Regulates the Energy Transduction Properties within a Family of Triheme Cytochromes from Geobacter sulfurreducens. J.Phys.Chem.B, 120, 2016
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2CL0
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![BU of 2cl0 by Molmil](/molmil-images/mine/2cl0) | CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH GppNHp | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GTPASE HRAS, MAGNESIUM ION, ... | Authors: | Klink, B.U, Goody, R.S, Scheidig, A.J. | Deposit date: | 2006-04-25 | Release date: | 2006-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Newly Designed Microspectrofluorometer for Kinetic Studies on Protein Crystals in Combination with X-Ray Diffraction Biophys.J., 91, 2006
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2CL6
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![BU of 2cl6 by Molmil](/molmil-images/mine/2cl6) | CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH S-caged GTP | Descriptor: | GTPASE HRAS, GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER], MAGNESIUM ION, ... | Authors: | Klink, B.U, Goody, R.S, Scheidig, A.J. | Deposit date: | 2006-04-26 | Release date: | 2006-05-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | A Newly Designed Microspectrofluorometer for Kinetic Studies on Protein Crystals in Combination with X-Ray Diffraction. Biophys.J., 91, 2006
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