2E5C
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![BU of 2e5c by Molmil](/molmil-images/mine/2e5c) | Crystal structure of Human NMPRTase complexed with 5'-phosphoribosyl-1'-pyrophosphate | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Nicotinamide phosphoribosyltransferase | Authors: | Takahashi, R, Nakamura, S, Kobayashi, Y, Ohkubo, T. | Deposit date: | 2006-12-20 | Release date: | 2007-12-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and reaction mechanism of human nicotinamide phosphoribosyltransferase J.Biochem., 147, 2010
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4ZDG
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![BU of 4zdg by Molmil](/molmil-images/mine/4zdg) | |
4FJZ
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![BU of 4fjz by Molmil](/molmil-images/mine/4fjz) | Crystal structure of PI3K-gamma in complex with pyrrolo-pyridine inhibitor 63 | Descriptor: | 1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine], Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-06-12 | Release date: | 2012-10-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors J.Med.Chem., 55, 2012
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4L0Z
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4WYJ
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![BU of 4wyj by Molmil](/molmil-images/mine/4wyj) | Adenovirus 3 head domain mutant V239D | Descriptor: | Fiber protein, SULFATE ION | Authors: | Lieber, A, Zubieta, C, Fender, P. | Deposit date: | 2014-11-17 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Preclinical safety and efficacy studies with an affinity-enhanced epithelial junction opener and PEGylated liposomal doxorubicin. Mol Ther Methods Clin Dev, 2, 2015
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4XEB
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![BU of 4xeb by Molmil](/molmil-images/mine/4xeb) | The structure of P. funicolosum Cel7A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glucanase, ... | Authors: | Alahuhta, P.M, Lunin, V.V. | Deposit date: | 2014-12-23 | Release date: | 2016-06-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Engineering enhanced cellobiohydrolase activity Nat Commun, 9(1), 2018
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3VSA
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![BU of 3vsa by Molmil](/molmil-images/mine/3vsa) | Crystal Structure of O-phosphoserine sulfhydrylase without acetate | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, PYRIDOXAL-5'-PHOSPHATE, Protein CysO | Authors: | Nakamura, T, Kawai, Y, Kataoka, M, Ishikawa, K. | Deposit date: | 2012-04-24 | Release date: | 2012-05-16 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural analysis of the substrate recognition mechanism in O-phosphoserine sulfhydrylase from the hyperthermophilic archaeon Aeropyrum pernix K1 J.Mol.Biol., 422, 2012
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3UB6
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![BU of 3ub6 by Molmil](/molmil-images/mine/3ub6) | Periplasmic portion of the Helicobacter pylori chemoreceptor TlpB with urea bound | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | Authors: | Henderson, J.N, Sweeney, E.G, Goers, J, Wreden, C, Hicks, K.G, Parthasarathy, R, Guillemin, K.J, Remington, S.J. | Deposit date: | 2011-10-23 | Release date: | 2012-06-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structure and proposed mechanism for the pH-sensing Helicobacter pylori chemoreceptor TlpB. Structure, 20, 2012
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3VSC
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![BU of 3vsc by Molmil](/molmil-images/mine/3vsc) | Crystal Structure of the K127A Mutant of O-Phosphoserine Sulfhydrylase Complexed with External Schiff Base of Pyridoxal 5'-Phosphate with O-Phospho-L-Serine | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHOSERINE, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Nakamura, T, Kawai, Y, Kataoka, M, Ishikawa, K. | Deposit date: | 2012-04-24 | Release date: | 2012-05-16 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural analysis of the substrate recognition mechanism in O-phosphoserine sulfhydrylase from the hyperthermophilic archaeon Aeropyrum pernix K1 J.Mol.Biol., 422, 2012
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4FJY
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![BU of 4fjy by Molmil](/molmil-images/mine/4fjy) | Crystal structure of PI3K-gamma in complex with quinoline-indoline inhibitor 24f | Descriptor: | 4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-06-12 | Release date: | 2012-10-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors J.Med.Chem., 55, 2012
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3UB7
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![BU of 3ub7 by Molmil](/molmil-images/mine/3ub7) | Periplasmic portion of the Helicobacter pylori chemoreceptor TlpB with acetamide bound | Descriptor: | ACETAMIDE, GLYCEROL, SULFATE ION, ... | Authors: | Henderson, J.N, Sweeney, E.G, Goers, J, Wreden, C, Hicks, K.G, Parthasarathy, R, Guillemin, K.J, Remington, S.J. | Deposit date: | 2011-10-23 | Release date: | 2012-06-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure and proposed mechanism for the pH-sensing Helicobacter pylori chemoreceptor TlpB. Structure, 20, 2012
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3UB8
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![BU of 3ub8 by Molmil](/molmil-images/mine/3ub8) | Periplasmic portion of the Helicobacter pylori chemoreceptor TlpB with formamide bound | Descriptor: | FORMAMIDE, GLYCEROL, SULFATE ION, ... | Authors: | Henderson, J.N, Sweeney, E.G, Goers, J, Wreden, C, Hicks, K.G, Parthasarathy, R, Guillemin, K.J, Remington, S.J. | Deposit date: | 2011-10-23 | Release date: | 2012-06-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structure and proposed mechanism for the pH-sensing Helicobacter pylori chemoreceptor TlpB. Structure, 20, 2012
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4L0Y
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4L18
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3UB9
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![BU of 3ub9 by Molmil](/molmil-images/mine/3ub9) | Periplasmic portion of the Helicobacter pylori chemoreceptor TlpB with hydroxyurea bound | Descriptor: | GLYCEROL, N-HYDROXYUREA, SULFATE ION, ... | Authors: | Henderson, J.N, Sweeney, E.G, Goers, J, Wreden, C, Hicks, K.G, Parthasarathy, R, Guillemin, K.J, Remington, S.J. | Deposit date: | 2011-10-23 | Release date: | 2012-06-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structure and proposed mechanism for the pH-sensing Helicobacter pylori chemoreceptor TlpB. Structure, 20, 2012
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3VSD
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![BU of 3vsd by Molmil](/molmil-images/mine/3vsd) | Crystal Structure of the K127A Mutant of O-Phosphoserine Sulfhydrylase Complexed with External Schiff Base of Pyridoxal 5'-Phosphate with O-Acetyl-L-Serine | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, O-ACETYLSERINE, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Nakamura, T, Kawai, Y, Kataoka, M, Ishikawa, K. | Deposit date: | 2012-04-24 | Release date: | 2012-05-16 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural analysis of the substrate recognition mechanism in O-phosphoserine sulfhydrylase from the hyperthermophilic archaeon Aeropyrum pernix K1 J.Mol.Biol., 422, 2012
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2VV3
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![BU of 2vv3 by Molmil](/molmil-images/mine/2vv3) | hPPARgamma Ligand binding domain in complex with 4-oxoDHA | Descriptor: | (6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | Authors: | Itoh, T, Fairall, L, Schwabe, J.W.R. | Deposit date: | 2008-06-02 | Release date: | 2008-08-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural Basis for the Activation of Ppargamma by Oxidized Fatty Acids. Nat.Struct.Mol.Biol., 15, 2008
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2VV0
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![BU of 2vv0 by Molmil](/molmil-images/mine/2vv0) | hPPARgamma Ligand binding domain in complex with DHA | Descriptor: | DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | Authors: | Itoh, T, Fairall, L, Schwabe, J.W.R. | Deposit date: | 2008-06-02 | Release date: | 2008-08-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Basis for the Activation of Pparg by Oxidised Fatty Acids Nat.Struct.Mol.Biol., 15, 2008
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3RI4
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![BU of 3ri4 by Molmil](/molmil-images/mine/3ri4) | |
3ITZ
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![BU of 3itz by Molmil](/molmil-images/mine/3itz) | |
3GFE
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![BU of 3gfe by Molmil](/molmil-images/mine/3gfe) | Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridinone Inhibitor | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide | Authors: | Mohr, C, Jordan, S. | Deposit date: | 2009-02-26 | Release date: | 2009-07-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Part 1: Structure-Activity Relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase. Bioorg.Med.Chem.Lett., 19, 2009
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3B2R
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![BU of 3b2r by Molmil](/molmil-images/mine/3b2r) | Crystal Structure of PDE5A1 catalytic domain in complex with Vardenafil | Descriptor: | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE, cGMP-specific 3',5'-cyclic phosphodiesterase | Authors: | Huanchen, W, Mengchun, Y, Howard, R, Sharron, H.F, Hengming, K. | Deposit date: | 2007-10-19 | Release date: | 2008-05-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Conformational variations of both phosphodiesterase-5 and inhibitors provide the structural basis for the physiological effects of vardenafil and sildenafil. Mol.Pharmacol., 73, 2008
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5WVX
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![BU of 5wvx by Molmil](/molmil-images/mine/5wvx) | Crystal Structure of bifunctional Kunitz type Trypsin /amylase inhibitor (AMTIN) from the tubers of Alocasia macrorrhiza | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, CITRIC ACID, Trypsin/chymotrypsin inhibitor | Authors: | Palayam, M, Radhakrishnan, M, Lakshminarayanan, K, Balu, K.E, Ganapathy, J, Krishnasamy, G. | Deposit date: | 2016-12-29 | Release date: | 2018-06-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | Structural insights into a multifunctional inhibitor, 'AMTIN' from tubers of Alocasia macrorrhizos and its possible role in dengue protease (NS2B-NS3) inhibition. Int. J. Biol. Macromol., 113, 2018
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1BD8
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![BU of 1bd8 by Molmil](/molmil-images/mine/1bd8) | STRUCTURE OF CDK INHIBITOR P19INK4D | Descriptor: | P19INK4D CDK4/6 INHIBITOR | Authors: | Baumgartner, R, Fernandez-Catalan, C, Winoto, A, Huber, R, Engh, R, Holak, T.A. | Deposit date: | 1998-05-12 | Release date: | 1998-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of human cyclin-dependent kinase inhibitor p19INK4d: comparison to known ankyrin-repeat-containing structures and implications for the dysfunction of tumor suppressor p16INK4a. Structure, 6, 1998
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2AQL
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![BU of 2aql by Molmil](/molmil-images/mine/2aql) | Crystal Structure of the MRG15 MRG domain | Descriptor: | Mortality factor 4-like protein 1 | Authors: | Quiocho, F.A, Bowman, B.R. | Deposit date: | 2005-08-18 | Release date: | 2006-02-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Multipurpose MRG domain involved in cell senescence and proliferation exhibits structural homology to a DNA-interacting domain. Structure, 14, 2006
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