2WXI
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![BU of 2wxi by Molmil](/molmil-images/mine/2wxi) | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with SW30. | Descriptor: | 2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one, GLYCEROL, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | Deposit date: | 2009-11-09 | Release date: | 2010-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors Nat.Chem.Biol., 6, 2010
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2WXN
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![BU of 2wxn by Molmil](/molmil-images/mine/2wxn) | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with DL07. | Descriptor: | 3-{[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl}phenol, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | Deposit date: | 2009-11-09 | Release date: | 2010-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors Nat.Chem.Biol., 6, 2010
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2WXK
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![BU of 2wxk by Molmil](/molmil-images/mine/2wxk) | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with INK666. | Descriptor: | 3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | Deposit date: | 2009-11-09 | Release date: | 2010-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors Nat.Chem.Biol., 6, 2010
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2WXM
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![BU of 2wxm by Molmil](/molmil-images/mine/2wxm) | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with DL06. | Descriptor: | 1-(1-METHYLETHYL)-3-(PYRIDIN-3-YLETHYNYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | Deposit date: | 2009-11-09 | Release date: | 2010-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors Nat.Chem.Biol., 6, 2010
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4Q38
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![BU of 4q38 by Molmil](/molmil-images/mine/4q38) | The crystal structure of acyltransferase in complex with decanoyl-CoA and teicoplanin | Descriptor: | 2-amino-6-O-decanoyl-2-deoxy-beta-D-glucopyranose, COENZYME A, Putative uncharacterized protein tcp24, ... | Authors: | Li, T.-L, Lyu, S.-Y, Liu, Y.-C, Chang, C.-Y, Huang, C.-J. | Deposit date: | 2014-04-11 | Release date: | 2014-09-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus J.Am.Chem.Soc., 136, 2014
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3MV8
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![BU of 3mv8 by Molmil](/molmil-images/mine/3mv8) | Crystal Structure of the TK3-Gln55His 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 (2.1 Å) | Cite: | Allelic polymorphism in the T cell receptor and its impact on immune responses J.Exp.Med., 207, 2010
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6MZL
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![BU of 6mzl by Molmil](/molmil-images/mine/6mzl) | Human TFIID canonical state | Descriptor: | TATA-box-binding protein, Transcription initiation factor TFIID subunit 1, Transcription initiation factor TFIID subunit 10, ... | Authors: | Patel, A.B, Louder, R.K, Greber, B.J, Grunberg, S, Luo, J, Fang, J, Liu, Y, Ranish, J, Hahn, S, Nogales, E. | Deposit date: | 2018-11-05 | Release date: | 2018-11-28 | Last modified: | 2019-11-20 | Method: | ELECTRON MICROSCOPY (23 Å) | Cite: | Structure of human TFIID and mechanism of TBP loading onto promoter DNA. Science, 362, 2018
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6OAI
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![BU of 6oai by Molmil](/molmil-images/mine/6oai) | Crystal structure of P[6] rotavirus vp8* complexed with LNFPI | Descriptor: | Protease-sensitive outer capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Xu, S, Liu, Y, Jiang, X, Kennedy, M.A. | Deposit date: | 2019-03-16 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis of P[II] major human rotavirus VP8* domain recognition of histo-blood group antigens. Plos Pathog., 16, 2020
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5DF6
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![BU of 5df6 by Molmil](/molmil-images/mine/5df6) | Crystal structure of PTPN11 tandem SH2 domains in complex with a TXNIP peptide | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11, UNKNOWN ATOM OR ION, txnip | Authors: | Dong, A, Li, W, Tempel, W, Liu, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-08-26 | Release date: | 2015-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural basis for the regulatory role of the PPxY motifs in the thioredoxin-interacting protein TXNIP. Biochem.J., 473, 2016
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4Q36
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![BU of 4q36 by Molmil](/molmil-images/mine/4q36) | The crystal structure of acyltransferase in complex with octanoyl-CoA and teicoplanin | Descriptor: | 2-amino-2-deoxy-beta-D-glucopyranose, OCTANOYL-COENZYME A, Putative uncharacterized protein tcp24, ... | Authors: | Li, T.-L, Lyu, S.-Y, Liu, Y.-C, Chang, C.-Y, Huang, C.-J. | Deposit date: | 2014-04-11 | Release date: | 2014-09-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus J.Am.Chem.Soc., 136, 2014
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2GNC
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![BU of 2gnc by Molmil](/molmil-images/mine/2gnc) | Crystal structure of srGAP1 SH3 domain in the slit-robo signaling pathway | Descriptor: | SLIT-ROBO Rho GTPase-activating protein 1 | Authors: | Li, X, Liu, Y, Gao, F, Bartlam, M, Wu, J.Y, Rao, Z. | Deposit date: | 2006-04-10 | Release date: | 2006-07-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of Robo Proline-rich Motif Recognition by the srGAP1 Src Homology 3 Domain in the Slit-Robo Signaling Pathway J.Biol.Chem., 281, 2006
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3CXR
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![BU of 3cxr by Molmil](/molmil-images/mine/3cxr) | Crystal structure of gluconate 5-dehydrogase from streptococcus suis type 2 | Descriptor: | Dehydrogenase with different specificities | Authors: | Peng, H, Gao, F, Zhang, Q, Liu, Y, Gao, G.F. | Deposit date: | 2008-04-25 | Release date: | 2009-03-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insight into the catalytic mechanism of gluconate 5-dehydrogenase from Streptococcus suis: Crystal structures of the substrate-free and quaternary complex enzymes. Protein Sci., 18, 2009
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6A96
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![BU of 6a96 by Molmil](/molmil-images/mine/6a96) | Cryo-EM structure of the human alpha5beta3 GABAA receptor in complex with GABA and Nb25 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, Gamma-aminobutyric acid receptor subunit alpha-5,Gamma-aminobutyric acid receptor subunit alpha-5, ... | Authors: | Liu, S, Xu, L, Guan, F, Liu, Y.T, Cui, Y, Zhang, Q, Bi, G.Q, Zhou, Z.H, Zhang, X, Ye, S. | Deposit date: | 2018-07-11 | Release date: | 2018-10-03 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.51 Å) | Cite: | Cryo-EM structure of the human alpha 5 beta 3 GABAAreceptor. Cell Res., 28, 2018
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5EG7
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![BU of 5eg7 by Molmil](/molmil-images/mine/5eg7) | The cap binding site of influenza virus protein PB2 as a drug target | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, GLYCEROL, Polymerase basic protein 2 | Authors: | Severin, C, Rocha de Moura, T, Liu, Y, Li, K, Zheng, X, Luo, M. | Deposit date: | 2015-10-26 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The cap-binding site of influenza virus protein PB2 as a drug target. Acta Crystallogr D Struct Biol, 72, 2016
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3MV9
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![BU of 3mv9 by Molmil](/molmil-images/mine/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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3MV7
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![BU of 3mv7 by Molmil](/molmil-images/mine/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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4F6V
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![BU of 4f6v by Molmil](/molmil-images/mine/4f6v) | Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1034, mg2+ and fmp. | Descriptor: | (2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate, 2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid, Dehydrosqualene synthase, ... | Authors: | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | Deposit date: | 2012-05-15 | Release date: | 2012-06-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis. ACS Med Chem Lett, 3, 2012
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3FFC
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![BU of 3ffc by Molmil](/molmil-images/mine/3ffc) | Crystal Structure of CF34 TCR in complex with HLA-B8/FLR | Descriptor: | Beta-2-microglobulin, CADMIUM ION, CF34 alpha chain, ... | Authors: | Gras, S, Burrows, S.R, Kjer-Nielsen, L, Clements, C.S, Liu, Y.C, Sullivan, L.C, Brooks, A.G, Purcell, A.W, McCluskey, J, Rossjohn, J. | Deposit date: | 2008-12-03 | Release date: | 2009-01-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The shaping of T cell receptor recognition by self-tolerance. Immunity, 30, 2009
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2OC8
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![BU of 2oc8 by Molmil](/molmil-images/mine/2oc8) | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH503034 | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C virus, ZINC ION, ... | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R.S, Arasappan, A, Bennett, F, Bogen, S.L, Chen, K, Jao, E, Liu, Y.T, Lovey, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | Deposit date: | 2006-12-20 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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6B0Y
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![BU of 6b0y by Molmil](/molmil-images/mine/6b0y) | Crystal Structure of small molecule ARS-917 covalently bound to K-Ras G12C | Descriptor: | 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | Authors: | Hansen, R, Peters, U, Babbar, A, Chen, Y, Feng, J, Janes, M.R, Li, L.-S, Ren, P, Liu, Y, Zarrinkar, P.P. | Deposit date: | 2017-09-15 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | The reactivity-driven biochemical mechanism of covalent KRASG12Cinhibitors. Nat. Struct. Mol. Biol., 25, 2018
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4EA1
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![BU of 4ea1 by Molmil](/molmil-images/mine/4ea1) | Co-crystal structure of dehydrosqualene synthase (Crtm) from S. aureus with SQ-109 | Descriptor: | Dehydrosqualene synthase, N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine | Authors: | Lin, F.-Y, Li, K, Liu, Y.-L, Oldfield, E. | Deposit date: | 2012-03-21 | Release date: | 2012-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets. J.Med.Chem., 55, 2012
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3TFP
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![BU of 3tfp by Molmil](/molmil-images/mine/3tfp) | Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162 | Descriptor: | 2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION | Authors: | Lin, F.-Y, Liu, Y.-L, Zhang, Y, Oldfield, E. | Deposit date: | 2011-08-16 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics. Chemmedchem, 7, 2012
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4XOH
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![BU of 4xoh by Molmil](/molmil-images/mine/4xoh) | Mechanistic insights into anchorage of the contractile ring from yeast to humans | Descriptor: | Division mal foutue 1 protein | Authors: | Chen, Z, Wu, J.-Q, Wang, J, Guan, R, Sun, L, Lee, I.-J, Liu, Y, Chen, M. | Deposit date: | 2015-01-16 | Release date: | 2015-07-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Mechanistic insights into the anchorage of the contractile ring by anillin and mid1 Dev.Cell, 33, 2015
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3TFV
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![BU of 3tfv by Molmil](/molmil-images/mine/3tfv) | Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1154 | Descriptor: | 5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION | Authors: | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | Deposit date: | 2011-08-16 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics. Chemmedchem, 7, 2012
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3TFN
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![BU of 3tfn by Molmil](/molmil-images/mine/3tfn) | |