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5J5C
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BU of 5j5c by Molmil
Crystal structure of ARL1-GTP and DCB domain of BIG1 complex
分子名称: ADP-ribosylation factor-like protein 1, Brefeldin A-inhibited guanine nucleotide-exchange protein 1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Wang, R, Wang, Z, Zhang, T, Ding, J.
登録日2016-04-02
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural basis for targeting BIG1 to Golgi apparatus through interaction of its DCB domain with Arl1
J Mol Cell Biol, 2016
5BNJ
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BU of 5bnj by Molmil
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
分子名称: 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, ...
著者Musil, D, Blagg, J, Wienke, D.
登録日2015-05-26
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease.
Nat.Chem.Biol., 11, 2015
4GA3
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BU of 4ga3 by Molmil
Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1260
分子名称: 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Liu, Y.-L, Zhang, Y, Oldfield, E.
登録日2012-07-24
公開日2013-05-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Chemo-Immunotherapeutic Anti-Malarials Targeting Isoprenoid Biosynthesis.
ACS MED.CHEM.LETT., 4, 2013
6XK9
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BU of 6xk9 by Molmil
Cereblon in complex with DDB1, CC-90009, and GSPT1
分子名称: 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, ...
著者Clayton, T.L, Tran, E.T, Zhu, J, Pagarigan, B.E, Matyskiela, M.E, Chamberlain, P.P.
登録日2020-06-25
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.64 Å)
主引用文献CC-90009, a novel cereblon E3 ligase modulator, targets acute myeloid leukemia blasts and leukemia stem cells.
Blood, 137, 2021
4H2M
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BU of 4h2m by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1408
分子名称: 2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine, Undecaprenyl pyrophosphate synthase
著者Zhu, W, Oldfield, E.
登録日2012-09-12
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H2O
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BU of 4h2o by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1248
分子名称: 2-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acid, Undecaprenyl pyrophosphate synthase
著者Zhu, W, Oldfield, E.
登録日2012-09-13
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H3A
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BU of 4h3a by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1330
分子名称: (2Z)-2-hydroxy-4-[4-(octyloxy)phenyl]-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
著者Zhu, W, Oldfield, E.
登録日2012-09-13
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
5AEL
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BU of 5ael by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-597
分子名称: FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, {2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate)
著者Yang, G, Oldfield, E, No, J.H.
登録日2014-12-26
公開日2015-10-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
4H2J
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BU of 4h2j by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1354
分子名称: N~4~-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N~1~-[4-(1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide, Undecaprenyl pyrophosphate synthase
著者Zhu, W, Oldfield, E.
登録日2012-09-12
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H8E
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BU of 4h8e by Molmil
Structure of S. aureus undecaprenyl diphosphate synthase in complex with FPP and sulfate
分子名称: FARNESYL DIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
著者Zhu, W, Oldfield, E.
登録日2012-09-22
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H3C
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BU of 4h3c by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-987
分子名称: (2Z)-4-[3-(decyloxy)phenyl]-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
著者Zhu, W, Oldfield, E.
登録日2012-09-13
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H38
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BU of 4h38 by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1297
分子名称: (5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid, Undecaprenyl pyrophosphate synthase
著者Zhu, W, Oldfield, E.
登録日2012-09-13
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4F6V
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BU of 4f6v by Molmil
Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1034, mg2+ and fmp.
分子名称: (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, ...
著者Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E.
登録日2012-05-15
公開日2012-06-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
4F6X
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BU of 4f6x by Molmil
Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1112
分子名称: 1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid, D(-)-TARTARIC ACID, Dehydrosqualene synthase, ...
著者Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E.
登録日2012-05-15
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
7OP1
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BU of 7op1 by Molmil
Cryo-EM structure of P5B-ATPase E2PiAlF/SPM
分子名称: Cation-transporting ATPase, MAGNESIUM ION, SPERMINE, ...
著者Li, P, Gourdon, P.
登録日2021-05-28
公開日2021-06-30
最終更新日2021-09-01
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure and transport mechanism of P5B-ATPases.
Nat Commun, 12, 2021
7OP8
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BU of 7op8 by Molmil
Cryo-EM structure of P5B-ATPase E2Pinhibit
分子名称: BERYLLIUM TRIFLUORIDE ION, Cation-transporting ATPase, MAGNESIUM ION
著者Li, P, Gourdon, P.
登録日2021-05-31
公開日2021-06-30
最終更新日2021-09-01
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure and transport mechanism of P5B-ATPases.
Nat Commun, 12, 2021
7OP5
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BU of 7op5 by Molmil
Cryo-EM structure of P5B-ATPase E2P
分子名称: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, P5B-ATPase
著者Li, P, Gourdon, P.
登録日2021-05-29
公開日2021-06-30
最終更新日2021-09-01
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure and transport mechanism of P5B-ATPases.
Nat Commun, 12, 2021
6T6Q
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BU of 6t6q by Molmil
Crystal structure of Toxoplasma gondii Morn1 (extended conformation).
分子名称: Membrane occupation and recognition nexus protein MORN1
著者Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K.
登録日2019-10-18
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats.
Plos One, 15, 2020
6T68
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BU of 6t68 by Molmil
Crystal structure of Trypanosoma brucei Morn1
分子名称: CHLORIDE ION, MORN repeat-containing protein 1
著者Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K.
登録日2019-10-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats.
Plos One, 15, 2020
6T4R
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BU of 6t4r by Molmil
Crystal structure of Trypanosoma brucei Morn1
分子名称: MORN repeat-containing protein 1
著者Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K.
登録日2019-10-14
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats.
Plos One, 15, 2020
5WDF
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BU of 5wdf by Molmil
Crystal structure of 10E8v4-5R+100cF Fab in complex with HIV-1 gp41 peptide
分子名称: 10E8v4-5R+100cF Fab heavy chain, FA10E8v4-5R+100cF FAB light chain, HIV-1 gp41 peptide
著者Kwon, Y.D, Kwong, P.D.
登録日2017-07-05
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Surface-Matrix Screening Identifies Semi-specific Interactions that Improve Potency of a Near Pan-reactive HIV-1-Neutralizing Antibody.
Cell Rep, 22, 2018
7Q1M
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BU of 7q1m by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide
分子名称: 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, ...
著者Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
登録日2021-10-20
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献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
7Q1N
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BU of 7q1n by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide
分子名称: 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, ...
著者Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
登録日2021-10-20
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
7Q1P
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BU of 7q1p by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
分子名称: 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, ...
著者Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
登録日2021-10-20
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
7Q1O
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BU of 7q1o by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
分子名称: 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, ...
著者Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
登録日2021-10-20
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献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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