3S44
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![BU of 3s44 by Molmil](/molmil-images/mine/3s44) | Crystal Structure of Pasteurella multocida sialyltransferase M144D mutant with CMP bound | Descriptor: | Alpha-2,3/2,6-sialyltransferase/sialidase, CMP-3F(a)-Neu5Ac | Authors: | Sugiarto, G, Lau, K, Li, Y, Lim, S, Ames, J.B, Le, D.-T, Fisher, A.J, Chen, X. | Deposit date: | 2011-05-18 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A Sialyltransferase Mutant with Decreased Donor Hydrolysis and Reduced Sialidase Activities for Directly Sialylating Lewis(x). Acs Chem.Biol., 7, 2012
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2H9R
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![BU of 2h9r by Molmil](/molmil-images/mine/2h9r) | Docking and dimerization domain (D/D) of the regulatory subunit of the Type II-alpha cAMP-dependent protein kinase A associated with a Peptide derived from an A-kinase anchoring protein (AKAP) | Descriptor: | 22-mer from A-kinase anchor protein 5, cAMP-dependent protein kinase type II-alpha regulatory subunit | Authors: | Newlon, M.G, Roy, M, Morikis, D, Hausken, Z.E, Coghlan, V, Scott, J.D, Jennings, P.A. | Deposit date: | 2006-06-10 | Release date: | 2006-08-29 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | A novel mechanism of PKA anchoring revealed by solution structures of anchoring complexes. Embo J., 20, 2001
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3AOC
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1Z19
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![BU of 1z19 by Molmil](/molmil-images/mine/1z19) | Crystal structure of a lambda integrase(75-356) dimer bound to a COC' core site | Descriptor: | 33-MER, 5'-D(*CP*TP*CP*GP*TP*TP*CP*AP*GP*CP*TP*TP*TP*TP*TP*T)-3', 5'-D(P*TP*TP*TP*AP*TP*AP*CP*TP*AP*AP*GP*TP*TP*GP*GP*CP*AP*TP*TP*A)-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 (2.8 Å) | Cite: | A structural basis for allosteric control of DNA recombination by lambda integrase. Nature, 435, 2005
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2H5M
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![BU of 2h5m by Molmil](/molmil-images/mine/2h5m) | NMR Solution Structure of a GCN5-like putative N-acetyltransferase from Staphylococcus aureus complexed with acetyl-CoA. Northeast Structural Genomics Consortium Target ZR31 | Descriptor: | ACETYL COENZYME *A, Acetyltransferase, GNAT family | Authors: | Cort, J.R, Ramelot, T.A, Acton, T.B, Ma, L, Xiao, R.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-05-26 | Release date: | 2006-11-28 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure of an acetyl-CoA binding protein from Staphylococcus aureus representing a novel subfamily of GCN5-related N-acetyltransferase-like proteins J.Struct.Funct.Genom., 9, 2008
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2DRN
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![BU of 2drn by Molmil](/molmil-images/mine/2drn) | Docking and dimerization domain (D/D) of the Type II-alpha regulatory subunity of protein kinase A (PKA) in complex with a peptide from an A-kinase anchoring protein | Descriptor: | 24-residues peptide from an a-kinase anchoring protein, cAMP-dependent protein kinase type II-alpha regulatory subunit | Authors: | Newlon, M.G, Roy, M, Morikis, D, Hausken, Z.E, Coghlan, V, Scott, J.D, Jennings, P.A. | Deposit date: | 2006-06-11 | Release date: | 2006-08-29 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | A novel mechanism of PKA anchoring revealed by solution structures of anchoring complexes. Embo J., 20, 2001
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1UZW
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![BU of 1uzw by Molmil](/molmil-images/mine/1uzw) | ISOPENICILLIN N SYNTHASE WITH L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE | Descriptor: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | Authors: | Grummitt, A.R, Rutledge, P.J, Clifton, I.J, Baldwin, J.E. | Deposit date: | 2004-03-17 | Release date: | 2004-06-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Active Site Mediated Elimination of Hydrogen Fluoride from a Fluorinated Substrate Analogue by Isopenicillin N Synthase Biochem.J., 382, 2004
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1SQX
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![BU of 1sqx by Molmil](/molmil-images/mine/1sqx) | Crystal Structure Analysis of Bovine Bc1 with Stigmatellin A | Descriptor: | Cytochrome b, Cytochrome c1, heme protein, ... | Authors: | Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D. | Deposit date: | 2004-03-21 | Release date: | 2005-09-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex. J.Mol.Biol., 341, 2004
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1J4J
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![BU of 1j4j by Molmil](/molmil-images/mine/1j4j) | Crystal Structure of Tabtoxin Resistance Protein (form II) complexed with an Acyl Coenzyme A | Descriptor: | ACETYL COENZYME *A, TABTOXIN RESISTANCE PROTEIN | Authors: | He, H, Ding, Y, Bartlam, M, Zhang, R, Duke, N, Joachimiak, A, Shao, Y, Cao, Z, Tang, H, Liu, Y, Jiang, F, Liu, J, Zhao, N, Rao, Z. | Deposit date: | 2001-10-02 | Release date: | 2003-06-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of tabtoxin resistance protein complexed with acetyl coenzyme A reveals the mechanism for beta-lactam acetylation. J.Mol.Biol., 325, 2003
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2NOV
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![BU of 2nov by Molmil](/molmil-images/mine/2nov) | Breakage-reunion domain of S.pneumoniae topo IV: crystal structure of a gram-positive quinolone target | Descriptor: | DNA topoisomerase 4 subunit A | Authors: | Laponogov, I, Veselkov, D.A, Sohi, M.K, Pan, X.S, Achari, A, Yang, C, Ferrara, J.D, Fisher, L.M, Sanderson, M.R. | Deposit date: | 2006-10-26 | Release date: | 2006-11-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Breakage-Reunion Domain of Streptococcus pneumoniae Topoisomerase IV: Crystal Structure of a Gram-Positive Quinolone Target. PLoS ONE, 2, 2007
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2NEO
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![BU of 2neo by Molmil](/molmil-images/mine/2neo) | SOLUTION NMR STRUCTURE OF A TWO-BASE DNA BULGE COMPLEXED WITH AN ENEDIYNE CLEAVING ANALOG, 11 STRUCTURES | Descriptor: | DNA (5'-D(*CP*CP*CP*GP*AP*TP*GP*CP*PGE*GP*CP*AP*AP*TP*TP*CP*GP*GP*G)-3'), SPIRO[[7-METHOXY-5-METHYL-1,2-DIHYDRO-NAPHTHALENE]-3,1'-[5-HYDROXY-9-[2-METHYLAMINO-2,6-DIDEOXYGALACTOPYRANOSYL-OXY]-5-(2-OXO-[1,3]DIOXOLAN-4-YL)-3A,5,9,9A-TETRAHYDRO-3H-1-OXA-CYCLOPENTA[A]-S-INDACEN-2-ONE]] | Authors: | Stassinopoulos, A, Ji, J, Gao, X, Goldberg, I.H. | Deposit date: | 1997-06-19 | Release date: | 1998-01-28 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a two-base DNA bulge complexed with an enediyne cleaving analog. Science, 272, 1996
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2BSW
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![BU of 2bsw by Molmil](/molmil-images/mine/2bsw) | Crystal structure of a glyphosate-N-acetyltransferase obtained by DNA shuffling. | Descriptor: | GLYCEROL, GLYPHOSATE N-ACETYLTRANSFERASE, OXIDIZED COENZYME A, ... | Authors: | Keenan, R.J, Siehl, D.L, Gorton, R, Castle, L.A. | Deposit date: | 2005-05-24 | Release date: | 2005-06-08 | Last modified: | 2015-10-14 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | DNA Shuffling as a Tool for Protein Crystallization. Proc.Natl.Acad.Sci.USA, 102, 2005
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2IL4
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![BU of 2il4 by Molmil](/molmil-images/mine/2il4) | Crystal structure of At1g77540-Coenzyme A Complex | Descriptor: | COENZYME A, Protein At1g77540 | Authors: | Bitto, E, Wesenberg, G.E, Phillips Jr, G.N, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2006-10-02 | Release date: | 2006-10-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.054 Å) | Cite: | Structure of Arabidopsis thaliana At1g77540 Protein, a Minimal Acetyltransferase from the COG2388 Family. Biochemistry, 45, 2006
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2CN0
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![BU of 2cn0 by Molmil](/molmil-images/mine/2cn0) | Complex of Recombinant Human Thrombin with a Designed Inhibitor | Descriptor: | 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE, CALCIUM ION, HIRUDIN IIA, ... | Authors: | Hoffmann-Roder, A, Schweizer, E, Egger, J, Seiler, P, Obst-Sander, U, Wagner, B, Kansy, M, Banner, D.W, Diederich, F. | Deposit date: | 2006-05-17 | Release date: | 2006-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Mapping the Fluorophilicity of a Hydrophobic Pocket: Synthesis and Biological Evaluation of Tricyclic Thrombin Inhibitors Directing Fluorinated Alkyl Groups Into the P Pocket Chemmedchem, 1, 2006
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2QPL
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![BU of 2qpl by Molmil](/molmil-images/mine/2qpl) | Crystal structure of calf spleen purine nucleoside phosphorylase complexed to a novel purine analogue | Descriptor: | 4-amino-7-methylpyrazolo[1,5-a][1,3,5]triazin-2(1H)-one, MAGNESIUM ION, Purine nucleoside phosphorylase, ... | Authors: | Pereira, H.M, Berdini, V, Cleasby, A, Garratt, R.C. | Deposit date: | 2007-07-24 | Release date: | 2007-12-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of calf spleen purine nucleoside phosphorylase complexed to a novel purine analogue. Febs Lett., 581, 2007
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2J62
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![BU of 2j62 by Molmil](/molmil-images/mine/2j62) | Structure of a bacterial O-glcnacase in complex with glcnacstatin | Descriptor: | CHLORIDE ION, N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE, O-GlcNAcase NagJ | Authors: | Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Shepherd, S.M, Shpiro, N.A, van Aalten, D.M.F. | Deposit date: | 2006-09-22 | Release date: | 2007-02-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | GlcNAcstatin: a picomolar, selective O-GlcNAcase inhibitor that modulates intracellular O-glcNAcylation levels. J. Am. Chem. Soc., 128, 2006
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2BWH
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![BU of 2bwh by Molmil](/molmil-images/mine/2bwh) | Laue Structure of a Short Lived State of L29W Myoglobin | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Schmidt, M, Nienhaus, K, Pahl, R, Krasselt, A, Anderson, S, Parak, F, Nienhaus, G.U, Srajer, V. | Deposit date: | 2005-07-14 | Release date: | 2005-07-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ligand migration pathway and protein dynamics in myoglobin: a time-resolved crystallographic study on L29W MbCO. Proc. Natl. Acad. Sci. U.S.A., 102, 2005
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2I5W
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2PVJ
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![BU of 2pvj by Molmil](/molmil-images/mine/2pvj) | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | Descriptor: | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | Deposit date: | 2007-05-09 | Release date: | 2008-05-13 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2. Bioorg.Med.Chem.Lett., 17, 2007
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2PVL
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![BU of 2pvl by Molmil](/molmil-images/mine/2pvl) | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | Descriptor: | 2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | Deposit date: | 2007-05-09 | Release date: | 2008-05-13 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2. Bioorg.Med.Chem.Lett., 17, 2007
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2PVK
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![BU of 2pvk by Molmil](/molmil-images/mine/2pvk) | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | Descriptor: | 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | Deposit date: | 2007-05-09 | Release date: | 2008-05-13 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2. Bioorg.Med.Chem.Lett., 17, 2007
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2PVN
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![BU of 2pvn by Molmil](/molmil-images/mine/2pvn) | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | Descriptor: | Casein kinase II subunit alpha, N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | Deposit date: | 2007-05-09 | Release date: | 2008-05-13 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2. Bioorg.Med.Chem.Lett., 17, 2007
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2PVM
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![BU of 2pvm by Molmil](/molmil-images/mine/2pvm) | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | Descriptor: | 4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | Deposit date: | 2007-05-09 | Release date: | 2008-05-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2. Bioorg.Med.Chem.Lett., 17, 2007
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2PVH
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![BU of 2pvh by Molmil](/molmil-images/mine/2pvh) | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | Descriptor: | Casein kinase II subunit alpha, N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | Deposit date: | 2007-05-09 | Release date: | 2008-05-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2. Bioorg.Med.Chem.Lett., 17, 2007
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1VHH
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![BU of 1vhh by Molmil](/molmil-images/mine/1vhh) | A POTENTIAL CATALYTIC SITE WITHIN THE AMINO-TERMINAL SIGNALLING DOMAIN OF SONIC HEDGEHOG | Descriptor: | SONIC HEDGEHOG, SULFATE ION, ZINC ION | Authors: | Hall, T.M.T, Porter, J.A, Beachy, P.A, Leahy, D.J. | Deposit date: | 1995-10-03 | Release date: | 1996-01-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A potential catalytic site revealed by the 1.7-A crystal structure of the amino-terminal signalling domain of Sonic hedgehog. Nature, 378, 1995
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