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4H2J
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BU of 4h2j by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1354
Descriptor: 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
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-12
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite: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
Descriptor: FARNESYL DIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-22
Release date:2012-12-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: (5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-13
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: (2Z)-4-[3-(decyloxy)phenyl]-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-13
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
6K62
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BU of 6k62 by Molmil
Crystal structure of Xanthomonas PcrK
Descriptor: Histidine kinase
Authors:Ming, Z.H, Tang, J.L, Wu, L.J, Chen, P.
Deposit date:2019-05-31
Release date:2019-09-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The crystal structure of the phytopathogenic bacterial sensor PcrK reveals different cytokinin recognition mechanism from the plant sensor AHK4.
J.Struct.Biol., 208, 2019
4MMG
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BU of 4mmg by Molmil
crystal structure of YafQ mutant H87Q from E.coli
Descriptor: SULFATE ION, mRNA interferase YafQ
Authors:Liang, Y.J, Gao, Z.Q, Liu, Q.S, Dong, Y.H.
Deposit date:2013-09-09
Release date:2014-06-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Functional Characterization of Escherichia coli Toxin-Antitoxin Complex DinJ-YafQ
J.Biol.Chem., 289, 2014
7YPE
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BU of 7ype by Molmil
Crystal structure of AsfvPCNA in space group of P63
Descriptor: E301R, GLYCEROL
Authors:Shao, Z.W, Gan, J.H.
Deposit date:2022-08-03
Release date:2023-07-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional studies of PCNA from African swine fever virus.
J.Virol., 97, 2023
6KQU
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BU of 6kqu by Molmil
Crystal structure of phospholipase A2
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Hou, S, Xu, T, Liu, J.
Deposit date:2019-08-18
Release date:2020-08-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Residue Asn21 acts as a switch for calcium binding to modulate the enzymatic activity of human phospholipase A2 group IIE.
Biochimie, 176, 2020
7YPF
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BU of 7ypf by Molmil
Crystal structure of AsfvPCNA in space group of P1
Descriptor: E301R
Authors:Shao, Z.W, Gan, J.H.
Deposit date:2022-08-03
Release date:2023-08-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and functional studies of PCNA from African swine fever virus.
J.Virol., 97, 2023
3CE3
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BU of 3ce3 by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor C-MET in complex with a Pyrrolopyridinepyridone based inhibitor
Descriptor: 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide, Hepatocyte growth factor receptor
Authors:Sack, J.
Deposit date:2008-02-28
Release date:2008-08-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of pyrrolopyridine-pyridone based inhibitors of Met kinase: synthesis, X-ray crystallographic analysis, and biological activities.
J.Med.Chem., 51, 2008
6AKS
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BU of 6aks by Molmil
Cryo-EM structure of CVA10 mature virus
Descriptor: SPHINGOSINE, VP1, VP2, ...
Authors:Zhu, L, Sun, Y, Fan, J.Y, Zhu, B, Cao, L, Gao, Q, Zhang, Y.J, Liu, H.R, Rao, Z.H, Wang, X.X.
Deposit date:2018-09-03
Release date:2019-01-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structures of Coxsackievirus A10 unveil the molecular mechanisms of receptor binding and viral uncoating.
Nat Commun, 9, 2018
6AKT
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BU of 6akt by Molmil
Cryo-EM structure of CVA10 A-particle
Descriptor: VP1, VP2, VP3
Authors:Zhu, L, Sun, Y, Fan, J.Y, Zhu, B, Cao, L, Gao, Q, Zhang, Y.J, Liu, H.R, Rao, Z.H, Wang, X.X.
Deposit date:2018-09-03
Release date:2019-01-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structures of Coxsackievirus A10 unveil the molecular mechanisms of receptor binding and viral uncoating.
Nat Commun, 9, 2018
6AKU
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BU of 6aku by Molmil
Cryo-EM structure of CVA10 empty particle
Descriptor: VP1, VP2, VP3
Authors:Zhu, L, Sun, Y, Fan, J.Y, Zhu, B, Cao, L, Gao, Q, Zhang, Y.J, Liu, H.R, Rao, Z.H, Wang, X.X.
Deposit date:2018-09-03
Release date:2019-01-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structures of Coxsackievirus A10 unveil the molecular mechanisms of receptor binding and viral uncoating.
Nat Commun, 9, 2018
1SJ9
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BU of 1sj9 by Molmil
Crystal structure of the uridine phosphorylase from Salmonella typhimurium at 2.5A resolution
Descriptor: PHOSPHATE ION, Uridine phosphorylase
Authors:Dontsova, M, Gabdoulkhakov, A, Morgunova, E, Garber, M, Nikonov, S, Betzel, C, Ealick, S, Mikhailov, A.
Deposit date:2004-03-03
Release date:2005-03-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Preliminary investigation of the three-dimensional structure of Salmonella typhimurium uridine phosphorylase in the crystalline state.
Acta Crystallogr.,Sect.F, 61, 2005
4ML2
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BU of 4ml2 by Molmil
Crystal structure of wild-type YafQ
Descriptor: SULFATE ION, mRNA interferase YafQ
Authors:Liang, Y.J, Gao, Z.Q, Liu, Q.S, Dong, Y.H.
Deposit date:2013-09-06
Release date:2014-06-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Functional Characterization of Escherichia coli Toxin-Antitoxin Complex DinJ-YafQ
J.Biol.Chem., 289, 2014
4ML0
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BU of 4ml0 by Molmil
Crystal structure of E.coli DinJ-YafQ complex
Descriptor: Predicted antitoxin of YafQ-DinJ toxin-antitoxin system, Predicted toxin of the YafQ-DinJ toxin-antitoxin system, SULFATE ION
Authors:Liang, Y.J, Gao, Z.Q, Liu, Q.S, Dong, Y.H.
Deposit date:2013-09-06
Release date:2014-06-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Functional Characterization of Escherichia coli Toxin-Antitoxin Complex DinJ-YafQ
J.Biol.Chem., 289, 2014
4PQN
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BU of 4pqn by Molmil
ITK kinase domain with compound GNE-9822
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:McEwan, P.A, Barker, J.J, Eigenbrot, C.
Deposit date:2014-03-03
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors.
J.Med.Chem., 57, 2014
2MOX
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BU of 2mox by Molmil
solution structure of tandem SH3 domain of Sorbin and SH3 domain-containing protein 1
Descriptor: Sorbin and SH3 domain-containing protein 1
Authors:Zhao, D, Wang, C, Zhang, J, Wu, J, Shi, Y, Zhang, Z, Gong, Q.
Deposit date:2014-05-07
Release date:2014-05-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin
J.Struct.Biol., 187, 2014
4PRJ
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BU of 4prj by Molmil
Aurora A kinase domain with compound 2 (N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide)
Descriptor: Aurora kinase A, N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2014-03-05
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors.
J.Med.Chem., 57, 2014
4QCL
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BU of 4qcl by Molmil
Crystal structure of the catalytic core of human DNA polymerase alpha in ternary complex with an RNA-primed DNA template and dCTP
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA TEMPLATE, ...
Authors:Baranovskiy, A.G, Suwa, Y, Babayeva, N.D, Gu, J, Tahirov, T.H.
Deposit date:2014-05-12
Release date:2014-11-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Activity and fidelity of human DNA polymerase alpha depend on primer structure
J.Biol.Chem., 2018
3AQT
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BU of 3aqt by Molmil
CRYSTAL STRUCTURE OF RolR (NCGL1110) complex WITH ligand RESORCINOL
Descriptor: Bacterial regulatory proteins, tetR family, RESORCINOL
Authors:Li, D.F, Zhang, N, Hou, Y.J, Liu, S.J, Wang, D.C.
Deposit date:2010-11-18
Release date:2011-07-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the transcriptional repressor RolR reveals a novel recognition mechanism between inducer and regulator.
Plos One, 6, 2011
5CF5
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BU of 5cf5 by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-7-[(DIMETHYL-1,3-THIAZOL-2-YL)AMINO]-10-ETHYL-3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.02,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE
Descriptor: N,N-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
Authors:Sack, J.S.
Deposit date:2015-07-08
Release date:2015-08-26
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5MES
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BU of 5mes by Molmil
MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29
Descriptor: (5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone, Heavy Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, ...
Authors:Hargreaves, D.
Deposit date:2016-11-16
Release date:2017-01-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
4NQJ
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BU of 4nqj by Molmil
Structure of coiled-coil domain
Descriptor: DODECYL-BETA-D-MALTOSIDE, E3 ubiquitin-protein ligase TRIM69
Authors:Yang, M, Li, Y.
Deposit date:2013-11-25
Release date:2014-05-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:Structural insights into the TRIM family of ubiquitin E3 ligases.
Cell Res., 24, 2014
7T4J
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BU of 7t4j by Molmil
Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ...
Authors:Skene, R.J, Lane, W, Hu, Y.
Deposit date:2021-12-10
Release date:2022-12-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022

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數據於2024-11-06公開中

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