2J4C
| Structure of human Butyrylcholinesterase in complex with 10mM HgCl2 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Colletier, J.P, Frasco, M.F, Carvalho, F, Guilhermino, L, Stojan, J, Fournier, D, Weik, M. | Deposit date: | 2006-08-28 | Release date: | 2007-03-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Mechanisms of Cholinesterase Inhibition by Inorganic Mercury. FEBS J., 274, 2007
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3B2T
| Structure of phosphotransferase | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine, Fibroblast growth factor receptor 2, PHOSPHATE ION | Authors: | Lew, E.D, Bae, J.H, Rohmann, E, Wollnik, B, Schlessinger, J. | Deposit date: | 2007-10-19 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for reduced FGFR2 activity in LADD syndrome: Implications for FGFR autoinhibition and activation. Proc.Natl.Acad.Sci.Usa, 104, 2007
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3B3M
| Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-3-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol | Descriptor: | 3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Igarashi, J, Li, H, Poulos, T.L. | Deposit date: | 2007-10-22 | Release date: | 2008-07-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors. J.Am.Chem.Soc., 130, 2008
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4G5Q
| Structure of LGN GL4/Galphai1 complex | Descriptor: | CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W. | Deposit date: | 2012-07-18 | Release date: | 2012-09-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins To be Published
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3MV9
| Crystal Structure of the TK3-Gln55Ala TCR in complex with HLA-B*3501/HPVG | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | Authors: | Gras, S, Chen, Z, Miles, J.J, Liu, Y.C, Bell, M.J, Sullivan, L.C, Kjer-Nielsen, L, Brennan, R.M, Burrows, J.M, Neller, M.A, Khanna, R, Purcell, A.W, Brooks, A.G, McCluskey, J, Rossjohn, J, Burrows, S.R. | Deposit date: | 2010-05-03 | Release date: | 2010-06-09 | Last modified: | 2011-07-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Allelic polymorphism in the T cell receptor and its impact on immune responses J.Exp.Med., 207, 2010
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6FCF
| CHK1 KINASE IN COMPLEX WITH COMPOUND 44 | Descriptor: | 4-[[(2~{R},3~{S})-2-methylpiperidin-3-yl]amino]-2-phenyl-thieno[3,2-c]pyridine-7-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | Authors: | Read, J.A, Breed, J. | Deposit date: | 2017-12-20 | Release date: | 2018-01-17 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Adventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors. J. Med. Chem., 61, 2018
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4G8T
| Crystal structure of a glucarate dehydratase related protein, from actinobacillus succinogenes, target EFI-502312, with sodium and sulfate bound, ordered loop | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-07-23 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a glucarate dehydratase related protein, from actinobacillus succinogenes, target efi-502312, with sodium and sulfate bound, ordered loop TO BE PUBLISHED
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2O82
| Duplex DNA containing an abasic site with an opposite dC (beta anomer) in 5'-G_AC-3' (10 structure ensemble and averaged structure) | Descriptor: | 5'-D(*CP*CP*AP*AP*AP*GP*(AAB)P*AP*CP*CP*GP*GP*G)-3', 5'-D(*CP*CP*CP*GP*GP*TP*CP*CP*TP*TP*TP*GP*G)-3' | Authors: | Chen, J, Dupradeau, F.Y, Case, D.A, Turner, C.J, Stubbe, J. | Deposit date: | 2006-12-11 | Release date: | 2007-11-27 | Last modified: | 2023-11-29 | Method: | SOLUTION NMR | Cite: | DNA oligonucleotides with A, T, G or C opposite an abasic site: structure and dynamics. Nucleic Acids Res., 36, 2008
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6F3M
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1AYE
| HUMAN PROCARBOXYPEPTIDASE A2 | Descriptor: | PROCARBOXYPEPTIDASE A2, ZINC ION | Authors: | Garcia-Saez, I, Reverte, D, Vendrell, J, Aviles, F.X, Coll, M. | Deposit date: | 1997-11-03 | Release date: | 1999-01-13 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The three-dimensional structure of human procarboxypeptidase A2. Deciphering the basis of the inhibition, activation and intrinsic activity of the zymogen. EMBO J., 16, 1997
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1AZW
| PROLINE IMINOPEPTIDASE FROM XANTHOMONAS CAMPESTRIS PV. CITRI | Descriptor: | PROLINE IMINOPEPTIDASE | Authors: | Medrano, F.J, Alonso, J, Garcia, J.L, Romero, A, Bode, W, Gomis-Ruth, F.X. | Deposit date: | 1997-11-22 | Release date: | 1999-01-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of proline iminopeptidase from Xanthomonas campestris pv. citri: a prototype for the prolyl oligopeptidase family. EMBO J., 17, 1998
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3MU6
| Inhibiting the Binding of Class IIa Histone Deacetylases to Myocyte Enhancer Factor-2 by Small Molecules | Descriptor: | (3E)-N~8~-(2-aminophenyl)-N~1~-phenyloct-3-enediamide, DNA (5'-D(*AP*AP*AP*GP*CP*TP*AP*TP*TP*AP*TP*TP*AP*GP*CP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*GP*CP*TP*AP*AP*TP*AP*AP*TP*AP*GP*CP*TP*T)-3'), ... | Authors: | Jayathilaka, N, Han, A, Gaffney, K, Dey, R, He, J, Ye, J, Gao, T, Petasis, N.A, Chen, L. | Deposit date: | 2010-05-01 | Release date: | 2011-11-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.434 Å) | Cite: | Inhibition of the function of class IIa HDACs by blocking their interaction with MEF2. Nucleic Acids Res., 40, 2012
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3MV7
| Crystal Structure of the TK3 TCR in complex with HLA-B*3501/HPVG | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | Authors: | Gras, S, Chen, Z, Miles, J.J, Liu, Y.C, Bell, M.J, Sullivan, L.C, Kjer-Nielsen, L, Brennan, R.M, Burrows, J.M, Neller, M.A, Khanna, R, Purcell, A.W, Brooks, A.G, McCluskey, J, Rossjohn, J, Burrows, S.R. | Deposit date: | 2010-05-03 | Release date: | 2010-06-09 | Last modified: | 2011-07-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Allelic polymorphism in the T cell receptor and its impact on immune responses J.Exp.Med., 207, 2010
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3B6U
| Crystal structure of the motor domain of human kinesin family member 3B in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF3B, MAGNESIUM ION, ... | Authors: | Zhu, H, Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-29 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Motor domain of human kinesin family member 3B in complex with ADP. To be Published
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6F82
| AKR1B1 at 1.65 MGy radiation dose. | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Castellvi, A, Juanhuix, J. | Deposit date: | 2017-12-12 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation. Sci Rep, 9, 2019
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1ZK1
| Structure of R-specific alcohol dehydrogenase (mutant G37D) from Lactobacillus brevis in complex with phenylethanol and NAD | Descriptor: | 1-PHENYLETHANONE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Schlieben, N.H, Niefind, K, Muller, J, Riebel, B, Hummel, W, Schomburg, D. | Deposit date: | 2005-05-02 | Release date: | 2005-06-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Atomic Resolution Structures of R-specific Alcohol Dehydrogenase from Lactobacillus brevis Provide the Structural Bases of its Substrate and Cosubstrate Specificity J.Mol.Biol., 349, 2005
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1Z78
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6FBQ
| Crystal Structure of the Human Retinoid X Receptor DNA-Binding Domain Bound to the Human MEp DR1 Response Element, pH 7.0 | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, DNA (5'-D(*CP*TP*GP*GP*GP*TP*CP*AP*AP*AP*GP*TP*TP*CP*AP*TP*C)-3'), DNA (5'-D(*GP*AP*TP*GP*AP*AP*CP*TP*TP*TP*GP*AP*CP*CP*CP*AP*G)-3'), ... | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Osz, J, Rochel, N. | Deposit date: | 2017-12-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Modulation of RXR-DNA complex assembly by DNA context. Mol. Cell. Endocrinol., 481, 2019
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6FKA
| Crystal structure of N2C/D282C stabilized opsin bound to RS11 | Descriptor: | (2~{S})-2-(3,4-dichlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one, PALMITIC ACID, Rhodopsin, ... | Authors: | Mattle, D, Standfuss, J, Dawson, R. | Deposit date: | 2018-01-23 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ligand channel in pharmacologically stabilized rhodopsin. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4FG7
| Crystal structure of human calcium/calmodulin-dependent protein kinase I 1-293 in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type 1 | Authors: | Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J. | Deposit date: | 2012-06-04 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI. Plos One, 7, 2012
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1AXA
| ACTIVE-SITE MOBILITY IN HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE AS DEMONSTRATED BY CRYSTAL STRUCTURE OF A28S MUTANT | Descriptor: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | Authors: | Hong, L, Hartsuck, J.A, Foundling, S, Ermolieff, J, Tang, J. | Deposit date: | 1997-10-13 | Release date: | 1998-04-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Active-site mobility in human immunodeficiency virus, type 1, protease as demonstrated by crystal structure of A28S mutant. Protein Sci., 7, 1998
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6FCK
| CHK1 KINASE IN COMPLEX WITH COMPOUND 13 | Descriptor: | 2-phenyl-4-[[(3~{S})-piperidin-3-yl]amino]-1~{H}-indole-7-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | Authors: | Read, J.A, Breed, J. | Deposit date: | 2017-12-20 | Release date: | 2018-01-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Adventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors. J. Med. Chem., 61, 2018
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6F7R
| AKR1B1 at 0.03 MGy radiation dose. | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Castellvi, A, Juanhuix, J. | Deposit date: | 2017-12-11 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation. Sci Rep, 9, 2019
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2O7W
| Duplex DNA containing an abasic site with an opposite G (alpha anomer) in 5'-G_AC-3' (10 structure ensemble and averaged structure) | Descriptor: | 5'-D(*CP*CP*AP*AP*AP*GP*(ORP)P*AP*CP*CP*GP*GP*G)-3', 5'-D(*CP*CP*CP*GP*GP*TP*GP*CP*TP*TP*TP*GP*G)-3' | Authors: | Chen, J, Dupradeau, F.Y, Case, D.A, Turner, C.J, Stubbe, J. | Deposit date: | 2006-12-11 | Release date: | 2007-11-27 | Last modified: | 2023-11-29 | Method: | SOLUTION NMR | Cite: | DNA oligonucleotides with A, T, G or C opposite an abasic site: structure and dynamics. Nucleic Acids Res., 36, 2008
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1BFR
| IRON STORAGE AND ELECTRON TRANSPORT | Descriptor: | BACTERIOFERRITIN, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Dautant, A, Yariv, J, Meyer, J.B, Precigoux, G, Sweet, R.M, Frolow, F, Kalb(Gilboa), A.J. | Deposit date: | 1994-12-16 | Release date: | 1996-06-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structure of a monoclinic crystal from of cyctochrome b1 (Bacterioferritin) from E. coli. Acta Crystallogr.,Sect.D, 54, 1998
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