5J5C
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![BU of 5j5c by Molmil](/molmil-images/mine/5j5c) | Crystal structure of ARL1-GTP and DCB domain of BIG1 complex | Descriptor: | ADP-ribosylation factor-like protein 1, Brefeldin A-inhibited guanine nucleotide-exchange protein 1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Wang, R, Wang, Z, Zhang, T, Ding, J. | Deposit date: | 2016-04-02 | Release date: | 2016-09-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural basis for targeting BIG1 to Golgi apparatus through interaction of its DCB domain with Arl1 J Mol Cell Biol, 2016
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5BNJ
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![BU of 5bnj by Molmil](/molmil-images/mine/5bnj) | CDK8/CYCC IN COMPLEX WITH 8-{3-Chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)-phenyl]-pyridin- 4-yl}-2,8-diaza-spiro[4.5]decan-1-one | Descriptor: | 8-{3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, Cyclin-dependent kinase 8, ... | Authors: | Musil, D, Blagg, J, Wienke, D. | Deposit date: | 2015-05-26 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease. Nat.Chem.Biol., 11, 2015
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4GA3
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![BU of 4ga3 by Molmil](/molmil-images/mine/4ga3) | Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1260 | Descriptor: | 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | Authors: | Liu, Y.-L, Zhang, Y, Oldfield, E. | Deposit date: | 2012-07-24 | Release date: | 2013-05-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Chemo-Immunotherapeutic Anti-Malarials Targeting Isoprenoid Biosynthesis. ACS MED.CHEM.LETT., 4, 2013
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6XK9
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![BU of 6xk9 by Molmil](/molmil-images/mine/6xk9) | Cereblon in complex with DDB1, CC-90009, and GSPT1 | Descriptor: | 2-(4-chlorophenyl)-N-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)-2,2-difluoroacetamide, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ... | Authors: | Clayton, T.L, Tran, E.T, Zhu, J, Pagarigan, B.E, Matyskiela, M.E, Chamberlain, P.P. | Deposit date: | 2020-06-25 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.64 Å) | Cite: | CC-90009, a novel cereblon E3 ligase modulator, targets acute myeloid leukemia blasts and leukemia stem cells. Blood, 137, 2021
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4H2M
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![BU of 4h2m by Molmil](/molmil-images/mine/4h2m) | Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1408 | Descriptor: | 2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine, Undecaprenyl pyrophosphate synthase | Authors: | Zhu, W, Oldfield, E. | Deposit date: | 2012-09-12 | Release date: | 2012-12-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Antibacterial drug leads targeting isoprenoid biosynthesis. Proc.Natl.Acad.Sci.USA, 110, 2013
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4H2O
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![BU of 4h2o by Molmil](/molmil-images/mine/4h2o) | |
4H3A
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![BU of 4h3a by Molmil](/molmil-images/mine/4h3a) | |
5AEL
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![BU of 5ael by Molmil](/molmil-images/mine/5ael) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-597 | Descriptor: | FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, {2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate) | Authors: | Yang, G, Oldfield, E, No, J.H. | Deposit date: | 2014-12-26 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation. Antimicrob.Agents Chemother., 59, 2015
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4H2J
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4H8E
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![BU of 4h8e by Molmil](/molmil-images/mine/4h8e) | |
4H3C
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![BU of 4h3c by Molmil](/molmil-images/mine/4h3c) | |
4H38
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![BU of 4h38 by Molmil](/molmil-images/mine/4h38) | |
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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4F6X
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![BU of 4f6x by Molmil](/molmil-images/mine/4f6x) | Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1112 | Descriptor: | 1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid, D(-)-TARTARIC ACID, Dehydrosqualene synthase, ... | Authors: | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | Deposit date: | 2012-05-15 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis. ACS Med Chem Lett, 3, 2012
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7OP1
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![BU of 7op1 by Molmil](/molmil-images/mine/7op1) | Cryo-EM structure of P5B-ATPase E2PiAlF/SPM | Descriptor: | Cation-transporting ATPase, MAGNESIUM ION, SPERMINE, ... | Authors: | Li, P, Gourdon, P. | Deposit date: | 2021-05-28 | Release date: | 2021-06-30 | Last modified: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure and transport mechanism of P5B-ATPases. Nat Commun, 12, 2021
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7OP8
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![BU of 7op8 by Molmil](/molmil-images/mine/7op8) | Cryo-EM structure of P5B-ATPase E2Pinhibit | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Cation-transporting ATPase, MAGNESIUM ION | Authors: | Li, P, Gourdon, P. | Deposit date: | 2021-05-31 | Release date: | 2021-06-30 | Last modified: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure and transport mechanism of P5B-ATPases. Nat Commun, 12, 2021
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7OP5
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![BU of 7op5 by Molmil](/molmil-images/mine/7op5) | Cryo-EM structure of P5B-ATPase E2P | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, P5B-ATPase | Authors: | Li, P, Gourdon, P. | Deposit date: | 2021-05-29 | Release date: | 2021-06-30 | Last modified: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure and transport mechanism of P5B-ATPases. Nat Commun, 12, 2021
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6T6Q
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![BU of 6t6q by Molmil](/molmil-images/mine/6t6q) | Crystal structure of Toxoplasma gondii Morn1 (extended conformation). | Descriptor: | Membrane occupation and recognition nexus protein MORN1 | Authors: | Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K. | Deposit date: | 2019-10-18 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.902 Å) | Cite: | Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats. Plos One, 15, 2020
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6T68
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![BU of 6t68 by Molmil](/molmil-images/mine/6t68) | Crystal structure of Trypanosoma brucei Morn1 | Descriptor: | CHLORIDE ION, MORN repeat-containing protein 1 | Authors: | Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K. | Deposit date: | 2019-10-17 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats. Plos One, 15, 2020
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6T4R
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![BU of 6t4r by Molmil](/molmil-images/mine/6t4r) | Crystal structure of Trypanosoma brucei Morn1 | Descriptor: | MORN repeat-containing protein 1 | Authors: | Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K. | Deposit date: | 2019-10-14 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.352 Å) | Cite: | Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats. Plos One, 15, 2020
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5WDF
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![BU of 5wdf by Molmil](/molmil-images/mine/5wdf) | |
7Q1M
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![BU of 7q1m by Molmil](/molmil-images/mine/7q1m) | Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide | Descriptor: | 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, CHLORIDE ION, ... | Authors: | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | Deposit date: | 2021-10-20 | Release date: | 2022-11-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies. Eur.J.Med.Chem., 249, 2023
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7Q1N
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![BU of 7q1n by Molmil](/molmil-images/mine/7q1n) | Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide | Descriptor: | 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, CHLORIDE ION, ... | Authors: | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | Deposit date: | 2021-10-20 | Release date: | 2022-11-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies. Eur.J.Med.Chem., 249, 2023
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7Q1P
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![BU of 7q1p by Molmil](/molmil-images/mine/7q1p) | Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide | Descriptor: | 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, CHLORIDE ION, ... | Authors: | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | Deposit date: | 2021-10-20 | Release date: | 2022-11-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies. Eur.J.Med.Chem., 249, 2023
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7Q1O
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![BU of 7q1o by Molmil](/molmil-images/mine/7q1o) | Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide | Descriptor: | 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, CHLORIDE ION, ... | Authors: | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | Deposit date: | 2021-10-20 | Release date: | 2022-11-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies. Eur.J.Med.Chem., 249, 2023
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