2L68
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![BU of 2l68 by Molmil](/molmil-images/mine/2l68) | Solution Structure of Human Holo L-FABP | Descriptor: | Fatty acid-binding protein, liver | Authors: | Cai, J, Luecke, C, Chen, Z, Qiao, Y, Klimtchuk, E.S, Hamilton, J.A. | Deposit date: | 2010-11-17 | Release date: | 2011-11-23 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of human liver fatty acid binding protein: fatty acid binding revisited. Biophys.J., 102, 2012
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2L67
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![BU of 2l67 by Molmil](/molmil-images/mine/2l67) | Solution Structure of Human Apo L-FABP | Descriptor: | Fatty acid-binding protein, liver | Authors: | Cai, J, Luecke, C, Chen, Z, Qiao, Y, Klimtchuk, E.S, Hamilton, J.A. | Deposit date: | 2010-11-17 | Release date: | 2011-11-23 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of human liver fatty acid binding protein: fatty acid binding revisited. Biophys.J., 102, 2012
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2EW7
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![BU of 2ew7 by Molmil](/molmil-images/mine/2ew7) | Crystal Structure of Helicobacter Pylori peptide deformylase | Descriptor: | COBALT (II) ION, peptide deformylase | Authors: | Cai, J. | Deposit date: | 2005-11-02 | Release date: | 2006-10-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation Protein Sci., 15, 2006
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2EW6
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![BU of 2ew6 by Molmil](/molmil-images/mine/2ew6) | Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor | Descriptor: | (2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE, COBALT (II) ION, peptide deformylase | Authors: | Cai, J. | Deposit date: | 2005-11-02 | Release date: | 2006-10-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation Protein Sci., 15, 2006
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2EW5
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![BU of 2ew5 by Molmil](/molmil-images/mine/2ew5) | Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor | Descriptor: | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE, COBALT (II) ION, peptide deformylase | Authors: | Cai, J. | Deposit date: | 2005-11-02 | Release date: | 2006-10-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation Protein Sci., 15, 2006
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2LKK
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![BU of 2lkk by Molmil](/molmil-images/mine/2lkk) | Human L-FABP in complex with oleate | Descriptor: | Fatty acid-binding protein, liver, OLEIC ACID | Authors: | Cai, J, Luecke, C, Chen, Z, Qiao, Y, Klimtchuk, E.S, Hamilton, J.A. | Deposit date: | 2011-10-13 | Release date: | 2012-06-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of human liver fatty acid binding protein: fatty acid binding revisited. Biophys.J., 102, 2012
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8HLG
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![BU of 8hlg by Molmil](/molmil-images/mine/8hlg) | Crystal structure of MoaE | Descriptor: | Molybdenum cofactor biosynthesis protein D/E, SULFATE ION | Authors: | Cai, J, Zhao, Y. | Deposit date: | 2022-11-30 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | MoaE Is Involved in Response to Oxidative Stress in Deinococcus radiodurans. Int J Mol Sci, 24, 2023
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5SJJ
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![BU of 5sjj by Molmil](/molmil-images/mine/5sjj) | Crystal Structure of human phosphodiesterase 10 in complex with 4-N-ethyl-5-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | Descriptor: | GLYCEROL, MAGNESIUM ION, N~4~-ethyl-5-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ... | Authors: | Joseph, C, Benz, J, Flohr, A, Cai, J, Rudolph, M.G. | Deposit date: | 2022-02-01 | Release date: | 2022-10-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of a human phosphodiesterase 10 complex To be published
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3BJC
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![BU of 3bjc by Molmil](/molmil-images/mine/3bjc) | Crystal structure of the PDE5A catalytic domain in complex with a novel inhibitor | Descriptor: | 5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, G, Wang, H, Howard, R, Cai, J, Wan, Y, Ke, H. | Deposit date: | 2007-12-03 | Release date: | 2008-04-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An insight into the pharmacophores of phosphodiesterase-5 inhibitors from synthetic and crystal structural studies BIOCHEM.PHARM., 75, 2008
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4BZ1
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![BU of 4bz1 by Molmil](/molmil-images/mine/4bz1) | Structure of dengue virus EDIII in complex with Fab 3e31 | Descriptor: | CHLORIDE ION, ENVELOPE PROTEIN, FAB 3E31 HEAVY CHAIN, ... | Authors: | Li, J, Watterson, D, Chang, C.W, Li, X.Q, Ericsson, D.J, Qiu, L.W, Cai, J.P, Chen, J, Fry, S.R, Cooper, M.A, Che, X.Y, Young, P.R, Kobe, B. | Deposit date: | 2013-07-23 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of Dengue Virus Ediii in Complex with Fab 3E31 To be Published
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4BZ2
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![BU of 4bz2 by Molmil](/molmil-images/mine/4bz2) | Structure of dengue virus EDIII in complex with Fab 2D73 | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ENVELOPE PROTEIN, ... | Authors: | Li, J, Watterson, D, Chang, C.W, Li, X.Q, Ericsson, D.J, Qiu, L.W, Cai, J.P, Chen, J, Fry, S.R, Cooper, M.A, Che, X.Y, Young, P.R, Kobe, B. | Deposit date: | 2013-07-23 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure of Dengue Virus Ediii in Complex with Fab 2D73 To be Published
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2H40
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![BU of 2h40 by Molmil](/molmil-images/mine/2h40) | Crystal structure of the catalytic domain of unliganded PDE5 | Descriptor: | MAGNESIUM ION, ZINC ION, cGMP-specific 3',5'-cyclic phosphodiesterase | Authors: | Wang, H, Liu, Y, Huai, Q, Cai, J, Zoraghi, R, Francis, S.H, Corbin, J.D, Robinson, H, Xin, Z, Lin, G, Ke, H. | Deposit date: | 2006-05-23 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development J.Biol.Chem., 281, 2006
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3GLS
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![BU of 3gls by Molmil](/molmil-images/mine/3gls) | Crystal Structure of Human SIRT3 | Descriptor: | NAD-dependent deacetylase sirtuin-3, mitochondrial, SULFATE ION, ... | Authors: | Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B. | Deposit date: | 2009-03-12 | Release date: | 2009-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes. J.Biol.Chem., 284, 2009
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3GLR
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![BU of 3glr by Molmil](/molmil-images/mine/3glr) | Crystal Structure of human SIRT3 with acetyl-lysine AceCS2 peptide | Descriptor: | Acetyl-coenzyme A synthetase 2-like, mitochondrial, BICARBONATE ION, ... | Authors: | Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B. | Deposit date: | 2009-03-12 | Release date: | 2009-06-16 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes. J.Biol.Chem., 284, 2009
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3GLT
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![BU of 3glt by Molmil](/molmil-images/mine/3glt) | Crystal Structure of Human SIRT3 with ADPR bound to the AceCS2 peptide containing a thioacetyl lysine | Descriptor: | Acetyl-coenzyme A synthetase 2-like, mitochondrial, CARBONATE ION, ... | Authors: | Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B. | Deposit date: | 2009-03-12 | Release date: | 2009-06-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes. J.Biol.Chem., 284, 2009
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3GLU
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![BU of 3glu by Molmil](/molmil-images/mine/3glu) | Crystal Structure of Human SIRT3 with AceCS2 peptide | Descriptor: | Acetyl-coenzyme A synthetase 2-like, mitochondrial, NAD-dependent deacetylase sirtuin-3, ... | Authors: | Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B. | Deposit date: | 2009-03-12 | Release date: | 2009-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes. J.Biol.Chem., 284, 2009
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3ECN
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![BU of 3ecn by Molmil](/molmil-images/mine/3ecn) | Crystal structure of PDE8A catalytic domain in complex with IBMX | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... | Authors: | Wang, H, Yan, Z, Yang, S, Cai, J, Robinson, H, Ke, H. | Deposit date: | 2008-09-01 | Release date: | 2008-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Kinetic and structural studies of phosphodiesterase-8A and implication on the inhibitor selectivity Biochemistry, 47, 2008
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3ECM
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![BU of 3ecm by Molmil](/molmil-images/mine/3ecm) | Crystal structure of the unliganded PDE8A catalytic domain | Descriptor: | High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ZINC ION | Authors: | Wang, H, Yan, Z, Yang, S, Cai, J, Robinson, H, Ke, H. | Deposit date: | 2008-09-01 | Release date: | 2008-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Kinetic and structural studies of phosphodiesterase-8A and implication on the inhibitor selectivity Biochemistry, 47, 2008
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8JBO
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![BU of 8jbo by Molmil](/molmil-images/mine/8jbo) | Crystal structure of TxGH116 from Thermoanaerobacterium xylanolyticum with isofagomine | Descriptor: | 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, CALCIUM ION, ... | Authors: | Pengthaisong, S, Ketudat Cairns, J.R. | Deposit date: | 2023-05-09 | Release date: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for inhibition of a GH116 beta-glucosidase and its missense mutants by GBA2 inhibitors: Crystallographic and quantum chemical study. Chem.Biol.Interact., 384, 2023
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5IAZ
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![BU of 5iaz by Molmil](/molmil-images/mine/5iaz) | |
8OEP
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![BU of 8oep by Molmil](/molmil-images/mine/8oep) | Crystal structure of the PTPN3 PDZ domain bound to the HPV18 E6 oncoprotein C-terminal peptide | Descriptor: | Protein E6, SODIUM ION, Tyrosine-protein phosphatase non-receptor type 3 | Authors: | Genera, M, Colcombet-Cazenave, B, Croitoru, A, Raynal, B, Mechaly, A, Caillet, J, Haouz, A, Wolff, N, Caillet-Saguy, C. | Deposit date: | 2023-03-11 | Release date: | 2023-05-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Interactions of the protein tyrosine phosphatase PTPN3 with viral and cellular partners through its PDZ domain: insights into structural determinants and phosphatase activity. Front Mol Biosci, 10, 2023
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8CQY
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![BU of 8cqy by Molmil](/molmil-images/mine/8cqy) | Crystal structure of the PTPN3 PDZ domain bound to the PBM TACE C-terminal peptide | Descriptor: | Disintegrin and metalloproteinase domain-containing protein 17, SODIUM ION, Tyrosine-protein phosphatase non-receptor type 3 | Authors: | Genera, M, Colcombet-Cazenave, B, Croitoru, A, Raynal, B, Mechaly, A, Caillet, J, Haouz, A, Wolff, N, Caillet-Saguy, C. | Deposit date: | 2023-03-07 | Release date: | 2023-05-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Interactions of the protein tyrosine phosphatase PTPN3 with viral and cellular partners through its PDZ domain: insights into structural determinants and phosphatase activity. Front Mol Biosci, 10, 2023
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1KOG
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![BU of 1kog by Molmil](/molmil-images/mine/1kog) | Crystal structure of E. coli threonyl-tRNA synthetase interacting with the essential domain of its mRNA operator | Descriptor: | 5'-O-(N-(L-THREONYL)-SULFAMOYL)ADENOSINE, Threonyl-tRNA synthetase, Threonyl-tRNA synthetase mRNA, ... | Authors: | Torres-Larrios, A, Dock-Bregeon, A.C, Romby, P, Rees, B, Sankaranarayanan, R, Caillet, J, Springer, M, Ehresmann, C, Ehresmann, B, Moras, D. | Deposit date: | 2001-12-20 | Release date: | 2002-04-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural basis of translational control by Escherichia coli threonyl tRNA synthetase. Nat.Struct.Biol., 9, 2002
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3AHV
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![BU of 3ahv by Molmil](/molmil-images/mine/3ahv) | Semi-active E176Q mutant of rice bglu1 covalent complex with 2-deoxy-2-fluoroglucoside | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-alpha-D-glucopyranose, Beta-glucosidase 7, ... | Authors: | Chuenchor, W, Pengthaisong, S, Robinson, R.C, Yuvaniyama, J, Svasti, J, Ketudat Cairns, J.R. | Deposit date: | 2010-04-30 | Release date: | 2010-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | The structural basis of oligosaccharide binding by rice BGlu1 beta-glucosidase J.Struct.Biol., 173, 2011
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6Q56
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![BU of 6q56 by Molmil](/molmil-images/mine/6q56) | Crystal structure of the B. subtilis M1A22 tRNA methyltransferase TrmK | Descriptor: | NICKEL (II) ION, tRNA (adenine(22)-N(1))-methyltransferase | Authors: | Degut, C, Roovers, M, Barraud, P, Brachet, F, Feller, A, Larue, V, Al Refaii, A, Caillet, J, Droogmans, L, Tisne, C. | Deposit date: | 2018-12-07 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization of B. subtilis m1A22 tRNA methyltransferase TrmK: insights into tRNA recognition. Nucleic Acids Res., 47, 2019
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