3GU5
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2AIP
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2BAX
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![BU of 2bax by Molmil](/molmil-images/mine/2bax) | Atomic Resolution Structure of the Double Mutant (K53,56M) of Bovine Pancreatic Phospholipase A2 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Sekar, K, Yogavel, M, Velmurugan, D, Dauter, Z, Dauter, M, Tsai, M.D. | Deposit date: | 2005-10-15 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic resolution (0.97 A) structure of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2. Acta Crystallogr.,Sect.F, 61, 2005
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1YTT
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![BU of 1ytt by Molmil](/molmil-images/mine/1ytt) | YB SUBSTITUTED SUBTILISIN FRAGMENT OF MANNOSE BINDING PROTEIN-A (SUB-MBP-A), MAD STRUCTURE AT 110K | Descriptor: | MANNOSE-BINDING PROTEIN A, YTTERBIUM (III) ION | Authors: | Burling, F.T, Weis, W.I, Flaherty, K.M, Brunger, A.T. | Deposit date: | 1995-11-09 | Release date: | 1996-06-10 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of protein solvation and discrete disorder with experimental crystallographic phases. Science, 271, 1996
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2AIY
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![BU of 2aiy by Molmil](/molmil-images/mine/2aiy) | R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 20 STRUCTURES | Descriptor: | PHENOL, PROTEIN (INSULIN) | Authors: | O'Donoghue, S.I, Chang, X, Abseher, R, Nilges, M, Led, J.J. | Deposit date: | 1998-12-28 | Release date: | 2000-02-28 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Unraveling the symmetry ambiguity in a hexamer: calculation of the R6 human insulin structure. J.Biomol.NMR, 16, 2000
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1YP6
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![BU of 1yp6 by Molmil](/molmil-images/mine/1yp6) | Van der Waals Interactions Dominate Hydrophobic Association in a Protein Binding Site Occluded From Solvent Water | Descriptor: | 2-ISOBUTYL-3-METHOXYPYRAZINE, CADMIUM ION, CHLORIDE ION, ... | Authors: | Barratt, E, Bingham, R.J, Warner, D.J, Laughton, C.A, Phillips, S.E.V, Homans, S.W. | Deposit date: | 2005-01-30 | Release date: | 2005-08-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Van der Waals Interactions Dominate Ligand-Protein Association in a Protein Binding Site Occluded from Solvent Water J.Am.Chem.Soc., 127, 2005
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3AGM
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![BU of 3agm by Molmil](/molmil-images/mine/3agm) | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-670 | Descriptor: | N~2~-{8-OXO-8-[4-(9H-PURIN-6-YL)PIPERAZIN-1-YL]OCTANOYL}-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGININAMIDE, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Pflug, A, Ragozina, J, Uri, A, Bossemeyer, D, Engh, R.A. | Deposit date: | 2010-04-02 | Release date: | 2010-09-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions. J.Mol.Biol., 403, 2010
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1IAU
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![BU of 1iau by Molmil](/molmil-images/mine/1iau) | HUMAN GRANZYME B IN COMPLEX WITH AC-IEPD-CHO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GRANZYME B, ... | Authors: | Rotonda, J, Garcia-Calvo, M, Bull, H.G, Geissler, W.M, McKeever, B.M, Willoughby, C.A, Thornberry, N.A, Becker, J.W. | Deposit date: | 2001-03-23 | Release date: | 2001-05-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The three-dimensional structure of human granzyme B compared to caspase-3, key mediators of cell death with cleavage specificity for aspartic acid in P1. Chem.Biol., 8, 2001
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1XHA
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![BU of 1xha by Molmil](/molmil-images/mine/1xha) | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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1X6C
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![BU of 1x6c by Molmil](/molmil-images/mine/1x6c) | Solution structures of the SH2 domain of human protein-tyrosine phosphatase SHP-1 | Descriptor: | Tyrosine-protein phosphatase, non-receptor type 6 | Authors: | Sato, M, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-17 | Release date: | 2005-11-17 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structures of the SH2 domain of human protein-tyrosine phosphatase SHP-1 To be Published
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1I8P
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2B4X
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1IAQ
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![BU of 1iaq by Molmil](/molmil-images/mine/1iaq) | C-H-RAS P21 PROTEIN MUTANT WITH THR 35 REPLACED BY SER (T35S) COMPLEXED WITH GUANOSINE-5'-[B,G-IMIDO] TRIPHOSPHATE | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, TRANSFORMING PROTEIN P21/H-RAS-1 | Authors: | Spoerner, M, Herrmann, C, Vetter, I.R, Kalbitzer, H.R, Wittinghofer, A. | Deposit date: | 2001-03-23 | Release date: | 2001-06-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Dynamic properties of the Ras switch I region and its importance for binding to effectors. Proc.Natl.Acad.Sci.USA, 98, 2001
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1I3C
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![BU of 1i3c by Molmil](/molmil-images/mine/1i3c) | RESPONSE REGULATOR FOR CYANOBACTERIAL PHYTOCHROME, RCP1 | Descriptor: | RESPONSE REGULATOR RCP1, SULFATE ION | Authors: | Im, Y.J, Rho, S.-H, Park, C.-M, Yang, S.-S, Kang, J.-G, Lee, J.Y, Song, P.-S, Eom, S.H. | Deposit date: | 2001-02-14 | Release date: | 2002-03-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a cyanobacterial phytochrome response regulator. Protein Sci., 11, 2002
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2AZS
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![BU of 2azs by Molmil](/molmil-images/mine/2azs) | NMR structure of the N-terminal SH3 domain of Drk (calculated without NOE restraints) | Descriptor: | SH2-SH3 adapter protein drk | Authors: | Bezsonova, I, Singer, A.U, Choy, W.-Y, Tollinger, M, Forman-Kay, J.D. | Deposit date: | 2005-09-12 | Release date: | 2005-12-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural Comparison of the Unstable drkN SH3 Domain and a Stable Mutant Biochemistry, 44, 2005
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1ICN
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![BU of 1icn by Molmil](/molmil-images/mine/1icn) | ESCHERICHIA COLI-DERIVED RAT INTESTINAL FATTY ACID BINDING PROTEIN WITH BOUND MYRISTATE AT 1.5 A RESOLUTION AND I-FABPARG106-->GLN WITH BOUND OLEATE AT 1.74 A RESOLUTION | Descriptor: | INTESTINAL FATTY ACID BINDING PROTEIN, OLEIC ACID | Authors: | Eads, J.C, Sacchettini, J.C, Kromminga, A, Gordon, J.I. | Deposit date: | 1993-09-20 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Escherichia coli-derived rat intestinal fatty acid binding protein with bound myristate at 1.5 A resolution and I-FABPArg106-->Gln with bound oleate at 1.74 A resolution. J.Biol.Chem., 268, 1993
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1XH8
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![BU of 1xh8 by Molmil](/molmil-images/mine/1xh8) | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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2B8H
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![BU of 2b8h by Molmil](/molmil-images/mine/2b8h) | A/NWS/whale/Maine/1/84 (H1N9) reassortant influenza virus neuraminidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Smith, B.J, Platis, D, Cox, M.M.J, Huyton, T, Joosten, R.P, McKimm-Breschkin, J.L, Zhang, J.-G, Luo, C.S, Lou, M.-Z, Garrett, T.P.J, Labrou, N.E. | Deposit date: | 2005-10-07 | Release date: | 2006-09-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a calcium-deficient form of influenza virus neuraminidase: implications for substrate binding. Acta Crystallogr.,Sect.D, 62, 2006
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1ICW
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![BU of 1icw by Molmil](/molmil-images/mine/1icw) | INTERLEUKIN-8, MUTANT WITH GLU 38 REPLACED BY CYS AND CYS 50 REPLACED BY ALA | Descriptor: | INTERLEUKIN-8 | Authors: | Eigenbrot, C, Lowman, H.B, Chee, L, Artis, D.R. | Deposit date: | 1996-09-18 | Release date: | 1997-03-12 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural change and receptor binding in a chemokine mutant with a rearranged disulfide: X-ray structure of E38C/C50AIL-8 at 2 A resolution. Proteins, 27, 1997
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1I5I
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![BU of 1i5i by Molmil](/molmil-images/mine/1i5i) | THE C18S MUTANT OF BOVINE (GAMMA-B)-CRYSTALLIN | Descriptor: | (GAMMA-B) CRYSTALLIN | Authors: | Zarutskie, J.A, Asherie, N, Pande, J, Pande, A, Lomakin, J, Lomakin, A, Ogun, O, Stern, L.J, King, J.A, Benedek, G.B. | Deposit date: | 2001-02-27 | Release date: | 2001-03-07 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Enhanced crystallization of the Cys18 to Ser mutant of bovine gammaB crystallin. J.Mol.Biol., 314, 2001
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1I6E
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![BU of 1i6e by Molmil](/molmil-images/mine/1i6e) | SOLUTION STRUCTURE OF THE FUNCTIONAL DOMAIN OF PARACOCCUS DENITRIFICANS CYTOCHROME C552 IN THE OXIDIZED STATE | Descriptor: | CYTOCHROME C552, HEME C | Authors: | Reincke, B, Perez, C, Pristovsek, P, Luecke, C, Ludwig, C, Loehr, F, Rogov, V.V, Ludwig, B, Rueterjans, H. | Deposit date: | 2001-03-02 | Release date: | 2001-10-17 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of the functional domain of Paracoccus denitrificans cytochrome c(552) in both redox states. Biochemistry, 40, 2001
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1X6E
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![BU of 1x6e by Molmil](/molmil-images/mine/1x6e) | Solution structures of the C2H2 type zinc finger domain of human Zinc finger protein 24 | Descriptor: | ZINC ION, Zinc finger protein 24 | Authors: | Sato, M, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-17 | Release date: | 2005-11-17 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structures of the C2H2 type zinc finger domain of human Zinc finger protein 24 To be Published
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1X71
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![BU of 1x71 by Molmil](/molmil-images/mine/1x71) | Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with TRENCAM-3,2-HOPO, a cepabactin analogue | Descriptor: | 2,3-DIHYDROXYBENZAMIDE, FE (III) ION, Neutrophil gelatinase-associated lipocalin | Authors: | Holmes, M.A, Paulsene, W, Jide, X, Ratledge, C, Strong, R.K. | Deposit date: | 2004-08-12 | Release date: | 2005-01-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Siderocalin (Lcn 2) Also Binds Carboxymycobactins, Potentially Defending against Mycobacterial Infections through Iron Sequestration Structure, 13, 2005
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3GP0
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![BU of 3gp0 by Molmil](/molmil-images/mine/3gp0) | Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 11, ... | Authors: | Filippakopoulos, P, Barr, A, Fedorov, O, Keates, T, Soundararajan, M, Elkins, J, Salah, E, Burgess-Brown, N, Ugochukwu, E, Pike, A.C.W, Muniz, J, Roos, A, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-03-20 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib To be Published
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3ANR
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![BU of 3anr by Molmil](/molmil-images/mine/3anr) | human DYRK1A/harmine complex | Descriptor: | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Nonaka, Y, Hosoya, T, Hagiwara, M, Ito, N. | Deposit date: | 2010-09-06 | Release date: | 2010-11-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Development of a novel selective inhibitor of the Down syndrome-related kinase Dyrk1A Nat Commun, 1, 2010
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