1I93
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![BU of 1i93 by Molmil](/molmil-images/mine/1i93) | NMR ENSEMBLE OF ION-SELECTIVE LIGAND D16 FOR PLATELET INTEGRIN ALPHAIIB-BETA3 | Descriptor: | ION-SELECTIVE LIGAND D16 | Authors: | Smith, J.W, Le Calvez, H, Parra-Gessert, L, Preece, N.E, Jia, X, Assa-Munt, N. | Deposit date: | 2001-03-17 | Release date: | 2002-07-10 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Selection and structure of ion-selective ligands for platelet integrin alpha IIb(beta) 3. J.Biol.Chem., 277, 2002
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1I98
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![BU of 1i98 by Molmil](/molmil-images/mine/1i98) | NMR ENSEMBLE OF ION-SELECTIVE LIGAND D18 FOR PLATELET INTEGRIN ALPHAIIB-BETA3 | Descriptor: | ION-SELECTIVE LIGAND D18 | Authors: | Smith, J.W, Le Calvez, H, Parra-Gessert, L, Preece, N.E, Jia, X, Assa-Munt, N. | Deposit date: | 2001-03-18 | Release date: | 2002-07-10 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Selection and structure of ion-selective ligands for platelet integrin alpha IIb(beta) 3. J.Biol.Chem., 277, 2002
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1I6Y
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![BU of 1i6y by Molmil](/molmil-images/mine/1i6y) | NMR ENSEMBLE OF ION-SELECTIVE LIGAND A1 FOR PLATELET INTEGRIN ALPHAIIB-BETA3 | Descriptor: | ION-SELECTIVE LIGAND A1 | Authors: | Smith, J.W, Le Calvez, H, Parra-Gessert, L, Preece, N.E, Jia, X, Assa-Munt, N. | Deposit date: | 2001-03-06 | Release date: | 2002-07-10 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Selection and structure of ion-selective ligands for platelet integrin alpha IIb(beta) 3. J.Biol.Chem., 277, 2002
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4OTI
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![BU of 4oti by Molmil](/molmil-images/mine/4oti) | Crystal Structure of PRK1 Catalytic Domain in Complex with Tofacitinib | Descriptor: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Serine/threonine-protein kinase N1 | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | Deposit date: | 2014-02-13 | Release date: | 2014-08-27 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes. Plos One, 9, 2014
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4OTG
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![BU of 4otg by Molmil](/molmil-images/mine/4otg) | Crystal Structure of PRK1 Catalytic Domain in Complex with Lestaurtinib | Descriptor: | Lestaurtinib, Serine/threonine-protein kinase N1 | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | Deposit date: | 2014-02-13 | Release date: | 2014-08-27 | Last modified: | 2022-12-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes. Plos One, 9, 2014
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4OTH
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![BU of 4oth by Molmil](/molmil-images/mine/4oth) | Crystal Structure of PRK1 Catalytic Domain in Complex with Ro-31-8220 | Descriptor: | BISINDOLYLMALEIMIDE IX, Serine/threonine-protein kinase N1 | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | Deposit date: | 2014-02-13 | Release date: | 2014-08-27 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes. Plos One, 9, 2014
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4OTD
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![BU of 4otd by Molmil](/molmil-images/mine/4otd) | Crystal Structure of PRK1 Catalytic Domain | Descriptor: | Serine/threonine-protein kinase N1 | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | Deposit date: | 2014-02-13 | Release date: | 2014-08-27 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes. Plos One, 9, 2014
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1IK9
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![BU of 1ik9 by Molmil](/molmil-images/mine/1ik9) | CRYSTAL STRUCTURE OF A XRCC4-DNA LIGASE IV COMPLEX | Descriptor: | DNA LIGASE IV, DNA REPAIR PROTEIN XRCC4 | Authors: | Sibanda, B.L, Critchlow, S.E, Begun, J, Pei, X.Y, Jackson, S.P, Blundell, T.L, Pellegrini, L. | Deposit date: | 2001-05-03 | Release date: | 2001-11-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of an Xrcc4-DNA ligase IV complex. Nat.Struct.Biol., 8, 2001
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4UOU
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![BU of 4uou by Molmil](/molmil-images/mine/4uou) | Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) - apo-form | Descriptor: | DI(HYDROXYETHYL)ETHER, FUCOSE-SPECIFIC LECTIN FLEA | Authors: | Houser, J, Komarek, J, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M. | Deposit date: | 2014-06-10 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent. Acta Crystallogr.,Sect.D, 71, 2015
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2C8M
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![BU of 2c8m by Molmil](/molmil-images/mine/2c8m) | |
2CMN
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![BU of 2cmn by Molmil](/molmil-images/mine/2cmn) | A Proximal Arginine Residue in the Switching Mechanism of the FixL Oxygen Sensor | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SENSOR PROTEIN FIXL | Authors: | Gilles-Gonzalez, M.-A, Caceres, A.I, Silva Sousa, E.H, Tomchick, D.R, Brautigam, C.A, Gonzalez, C, Machius, M. | Deposit date: | 2006-05-11 | Release date: | 2007-05-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Proximal Arginine R206 Participates in Switching of the Bradyrhizobium Japonicum Fixl Oxygen Sensor J.Mol.Biol., 360, 2006
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2C7I
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![BU of 2c7i by Molmil](/molmil-images/mine/2c7i) | |
3FCE
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![BU of 3fce by Molmil](/molmil-images/mine/3fce) | Crystal Structure of Bacillus cereus D-alanyl Carrier Protein Ligase DltA in Complex with ATP: Implications for Adenylation Mechanism | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, D-alanine--poly(phosphoribitol) ligase subunit 1 | Authors: | Osman, K.T, Du, L, He, Y, Luo, Y. | Deposit date: | 2008-11-21 | Release date: | 2009-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Bacillus cereus D-alanyl carrier protein ligase (DltA) in complex with ATP. J.Mol.Biol., 388, 2009
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2DXU
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![BU of 2dxu by Molmil](/molmil-images/mine/2dxu) | Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii Complexed with Biotinyl-5'-AMP, Mutation R48A | Descriptor: | BIOTINYL-5-AMP, biotin--[acetyl-CoA-carboxylase] ligase | Authors: | Bagautdinov, B, Taketa, M, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-08-30 | Release date: | 2007-03-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Protein biotinylation visualized by a complex structure of biotin protein ligase with a substrate J.Biol.Chem., 283, 2008
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4DZH
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![BU of 4dzh by Molmil](/molmil-images/mine/4dzh) | Crystal structure of an adenosine deaminase from xanthomonas campestris (target nysgrc-200456) with bound zn | Descriptor: | AMIDOHYDROLASE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, Lafleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Zencheck, W.D, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Raushel, F.M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-03-01 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.552 Å) | Cite: | Crystal structure of an adenosine deaminase from xanthomonas campestris (target nysgrc-200456) with bound zn to be published
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6FGA
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![BU of 6fga by Molmil](/molmil-images/mine/6fga) | Crystal structure of TRIM21 E3 ligase, RING domain in complex with its cognate E2 conjugating enzyme UBE2E1 | Descriptor: | E3 ubiquitin-protein ligase TRIM21, GLYCEROL, Ubiquitin-conjugating enzyme E2 E1, ... | Authors: | Anandapadamanaban, M, Moche, M, Sunnerhagen, M. | Deposit date: | 2018-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | E3 ubiquitin-protein ligase TRIM21-mediated lysine capture by UBE2E1 reveals substrate-targeting mode of a ubiquitin-conjugating E2. J.Biol.Chem., 294, 2019
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1X01
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![BU of 1x01 by Molmil](/molmil-images/mine/1x01) | |
1XDN
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![BU of 1xdn by Molmil](/molmil-images/mine/1xdn) | High resolution crystal structure of an editosome enzyme from trypanosoma brucei: RNA editing ligase 1 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA editing ligase MP52 | Authors: | Deng, J, Schnaufer, A, Salavati, R, Stuart, K.D, Hol, W.G. | Deposit date: | 2004-09-07 | Release date: | 2004-12-07 | Last modified: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High resolution crystal structure of a key editosome enzyme from Trypanosoma brucei: RNA editing ligase 1. J.Mol.Biol., 343, 2004
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1WAT
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![BU of 1wat by Molmil](/molmil-images/mine/1wat) | |
1WAS
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![BU of 1was by Molmil](/molmil-images/mine/1was) | |
2ARU
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![BU of 2aru by Molmil](/molmil-images/mine/2aru) | Crystal structure of lipoate-protein ligase A bound with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Lipoate-protein ligase A, MAGNESIUM ION | Authors: | Kim, D.J, Kim, K.H, Lee, H.H, Lee, S.J, Ha, J.Y, Yoon, H.J, Suh, S.W. | Deposit date: | 2005-08-22 | Release date: | 2005-10-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of lipoate-protein ligase A bound with the activated intermediate: insights into interaction with lipoyl domains J.Biol.Chem., 280, 2005
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6OJ1
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![BU of 6oj1 by Molmil](/molmil-images/mine/6oj1) | Crystal Structure of Aspergillus fumigatus Ega3 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bamford, N.C, Subramanian, A.S, Millan, C, Uson, I, Howell, P.L. | Deposit date: | 2019-04-10 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Ega3 from the fungal pathogenAspergillus fumigatusis an endo-alpha-1,4-galactosaminidase that disrupts microbial biofilms. J.Biol.Chem., 294, 2019
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2CGH
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![BU of 2cgh by Molmil](/molmil-images/mine/2cgh) | |
6OJB
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![BU of 6ojb by Molmil](/molmil-images/mine/6ojb) | Crystal Structure of Aspergillus fumigatus Ega3 complex with galactosamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-alpha-D-galactopyranose, ... | Authors: | Bamford, N.C, Howell, P.L. | Deposit date: | 2019-04-11 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.093 Å) | Cite: | Ega3 from the fungal pathogenAspergillus fumigatusis an endo-alpha-1,4-galactosaminidase that disrupts microbial biofilms. J.Biol.Chem., 294, 2019
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3QGE
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![BU of 3qge by Molmil](/molmil-images/mine/3qge) | Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid and (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide | Descriptor: | (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide, RNA-directed RNA polymerase, ... | Authors: | Sheriff, S. | Deposit date: | 2011-01-24 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase. Bioorg.Med.Chem.Lett., 21, 2011
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