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4V0C
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BU of 4v0c by Molmil
Crystal Structure of the Kv7.1 proximal C-terminal Domain in Complex with Calmodulin
Descriptor: CALCIUM ION, CALMODULIN, POTASSIUM VOLTAGE-GATED CHANNEL SUBFAMILY KQT MEMBER 1, ...
Authors:Sachyani, D, Hirsch, J.A.
Deposit date:2014-09-14
Release date:2014-11-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural Basis of a Kv7.1 Potassium Channel Gating Module: Studies of the Intracellular C-Terminal Domain in Complex with Calmodulin.
Structure, 22, 2014
5W85
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BU of 5w85 by Molmil
CRYSTAL STRUCTURE OF IRAK-4 WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 9)
Descriptor: 6-[(1,3-benzothiazol-6-yl)amino]-4-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-methylpyridine-3-carboxamide, Interleukin-1 receptor-associated kinase 4
Authors:Sack, J.S.
Deposit date:2017-06-21
Release date:2017-10-11
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5WF0
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BU of 5wf0 by Molmil
70S ribosome-EF-Tu H84A complex with GTP and near-cognate tRNA (Complex C2)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Fislage, M, Frank, J.
Deposit date:2017-07-11
Release date:2018-05-02
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM shows stages of initial codon selection on the ribosome by aa-tRNA in ternary complex with GTP and the GTPase-deficient EF-TuH84A.
Nucleic Acids Res., 46, 2018
4KV2
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BU of 4kv2 by Molmil
Ubiquitin-like domain of the mycobacterium tuberculosis type VII secretion system protein ECCD1
Descriptor: ESX-1 secretion system protein eccD1
Authors:Korotkov, K.V, Evans, T.J.
Deposit date:2013-05-22
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structures of EccB1 and EccD1 from the core complex of the mycobacterial ESX-1 type VII secretion system.
Bmc Struct.Biol., 16, 2016
5AA9
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BU of 5aa9 by Molmil
Structure of L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile).
Descriptor: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y.-L, Liu, W, Brooun, A, Stewart, A.
Deposit date:2015-07-23
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
5AAB
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BU of 5aab by Molmil
Structure of C1156Y,L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib
Descriptor: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
Deposit date:2015-07-23
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
5WJU
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BU of 5wju by Molmil
Cryo-EM structure of B. subtilis flagellar filaments A39V, N133H
Descriptor: Flagellin
Authors:Wang, F, Burrage, A.M, Kearns, D.B, Egelman, E.H.
Deposit date:2017-07-24
Release date:2017-10-25
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:A structural model of flagellar filament switching across multiple bacterial species.
Nat Commun, 8, 2017
5WFK
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BU of 5wfk by Molmil
70S ribosome-EF-Tu H84A complex with GTP and near-cognate tRNA (Complex C3)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Fislage, M, Frank, J.
Deposit date:2017-07-12
Release date:2018-05-02
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM shows stages of initial codon selection on the ribosome by aa-tRNA in ternary complex with GTP and the GTPase-deficient EF-TuH84A.
Nucleic Acids Res., 46, 2018
5WJY
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BU of 5wjy by Molmil
Cryo-EM structure of B. subtilis flagellar filaments S285P
Descriptor: Flagellin
Authors:Wang, F, Burrage, A.M, Kearns, D.B, Egelman, E.H.
Deposit date:2017-07-24
Release date:2017-10-25
Last modified:2020-01-01
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:A structural model of flagellar filament switching across multiple bacterial species.
Nat Commun, 8, 2017
5AGT
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BU of 5agt by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-4-chloro-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
Descriptor: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ...
Authors:Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
Deposit date:2015-02-03
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5A0Z
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BU of 5a0z by Molmil
STRUCTURE OF CUTC CHOLINE LYASE CHOLINE FREE FORM FROM KLEBSIELLA PNEUMONIAE
Descriptor: CHOLINE TRIMETHYLAMINE LYASE
Authors:Kalnins, G, Tars, K.
Deposit date:2015-04-27
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and Function of Cutc Choline Lyase from Human Microbiota Bacterium Klebsiella Pneumoniaee
J.Biol.Chem., 290, 2015
5AB7
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BU of 5ab7 by Molmil
Crystal structure of Trypanosoma brucei SCP2-thiolase like protein (TbSLP) in complex with malonyl-CoA.
Descriptor: MALONYL-COENZYME A, SCP2-THIOLASE LIKE PROTEIN, SULFATE ION
Authors:Harijan, R.K, Kiema, T.R, Wierenga, R.K.
Deposit date:2015-08-02
Release date:2016-05-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Scp2-Thiolase-Like Protein (Slp) of Trypanosoma Brucei is an Enzyme Involved in Lipid Metabolism.
Proteins, 84, 2016
5A05
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BU of 5a05 by Molmil
Crystal structure of aldose-aldose oxidoreductase from Caulobacter crescentus complexed with maltotriose
Descriptor: ALDOSE-ALDOSE OXIDOREDUCTASE, MALONATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Taberman, H, Rouvinen, J, Parkkinen, T.
Deposit date:2015-04-17
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Structure and Function of Caulobacter Crescentus Aldose-Aldose Oxidoreductase.
Biochem.J., 472, 2015
4GX9
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BU of 4gx9 by Molmil
Crystal structure of a DNA polymerase III alpha-epsilon chimera
Descriptor: DNA polymerase III subunit epsilon,DNA polymerase III subunit alpha
Authors:Li, N, Horan, N, Xu, Z.-Q, Jacques, D, Dixon, N.E, Oakley, A.J.
Deposit date:2012-09-04
Release date:2013-04-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Proofreading exonuclease on a tether: the complex between the E. coli DNA polymerase III subunits alpha, {varepsilon}, theta and beta reveals a highly flexible arrangement of the proofreading domain
Nucleic Acids Res., 41, 2013
2MAR
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BU of 2mar by Molmil
Solution structure of Ani s 5 Anisakis simplex allergen
Descriptor: SXP/RAL-2 family protein
Authors:Garcia-Mayoral, M.F, Trevino, M.A, Perez-Pinar, T, Caballero, M.L, Knaute, T, Umpierrez, A, Bruix, M, Rodriguez-Perez, R.
Deposit date:2013-07-17
Release date:2014-07-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Relationships between IgE/IgG4 epitopes, structure and function in Anisakis simplex Ani s 5, a member of the SXP/RAL-2 protein family
Plos Negl Trop Dis, 8, 2014
3S55
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BU of 3s55 by Molmil
Crystal structure of a putative short-chain dehydrogenase/reductase from Mycobacterium abscessus bound to NAD
Descriptor: CALCIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative short-chain dehydrogenase/reductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-05-20
Release date:2011-06-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
3TSC
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BU of 3tsc by Molmil
Crystal structure of short chain dehydrogenase MAP_2410 from Mycobacterium paratuberculosis bound to NAD
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative oxidoreductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-12
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
1YX8
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BU of 1yx8 by Molmil
NMR structure of Calsensin, 20 low energy structures.
Descriptor: Calsensin
Authors:Venkitaramani, D.V, Fulton, D.B, Andreotti, A.H, Johansen, K.M, Johansen, J.
Deposit date:2005-02-19
Release date:2005-04-05
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of Calsensin, an invertebrate neuronal calcium-binding protein.
Protein Sci., 14, 2005
3CUR
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BU of 3cur by Molmil
Structure of a double methionine mutant of NI-FE hydrogenase
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ...
Authors:Volbeda, A.
Deposit date:2008-04-17
Release date:2008-08-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Experimental approaches to kinetics of gas diffusion in hydrogenase
Proc.Natl.Acad.Sci.Usa, 105, 2008
1CXR
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BU of 1cxr by Molmil
AUTOMATED 2D NOESY ASSIGNMENT AND STRUCTURE CALCULATION OF CRAMBIN(S22/I25) WITH SELF-CORRECTING DISTANCE GEOMETRY BASED NOAH/DIAMOD PROGRAMS
Descriptor: CRAMBIN
Authors:Xu, Y, Wu, J, Gorenstein, D, Braun, W.
Deposit date:1999-08-30
Release date:1999-09-07
Last modified:2018-03-14
Method:SOLUTION NMR
Cite:Automated 2D NOESY assignment and structure calculation of Crambin(S22/I25) with the self-correcting distance geometry based NOAH/DIAMOD programs.
J.Magn.Reson., 136, 1999
2MP4
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BU of 2mp4 by Molmil
Solution Structure of ADF like UNC-60A Protein of Caenorhabditis elegans
Descriptor: Actin-depolymerizing factor 1, isoforms a/b
Authors:Shukla, V, Yadav, R, Kabra, A, Kumar, D, Ono, S, Arora, A.
Deposit date:2014-05-11
Release date:2014-06-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR Structure and Backbone dynamics of ADF like UNC-60A protein from Caenorhabditis elegans: its divergence from conventional ADF/cofilin
To be Published
5HT6
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BU of 5ht6 by Molmil
Crystal structure of the SET domain of the human MLL5 methyltransferase
Descriptor: Histone-lysine N-methyltransferase 2E
Authors:le Maire, A, Mas-y-Mas, S, Dumas, C, Lebedev, A.
Deposit date:2016-01-26
Release date:2016-11-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:The Human Mixed Lineage Leukemia 5 (MLL5), a Sequentially and Structurally Divergent SET Domain-Containing Protein with No Intrinsic Catalytic Activity.
Plos One, 11, 2016
3LXN
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BU of 3lxn by Molmil
Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6
Descriptor: 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Non-receptor tyrosine-protein kinase TYK2
Authors:Chrencik, J.E, Benson, T.E.
Deposit date:2010-02-25
Release date:2010-06-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6.
J.Mol.Biol., 400, 2010
3LSV
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BU of 3lsv by Molmil
Structure of the A237F mutant of the pentameric ligand gated ion channel from Gloeobacter Violaceus
Descriptor: Ligand-gated ion channel
Authors:Nury, H, Corringer, P.J, Delarue, M.
Deposit date:2010-02-13
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:One-microsecond molecular dynamics simulation of channel gating in a nicotinic receptor homologue.
Proc.Natl.Acad.Sci.USA, 107, 2010
6DUK
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BU of 6duk by Molmil
EGFR with an allosteric inhibitor
Descriptor: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ...
Authors:Park, E, Eck, M.J.
Deposit date:2018-06-21
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Single and Dual Targeting of Mutant EGFR with an Allosteric Inhibitor.
Cancer Discov, 9, 2019

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數據於2024-07-17公開中

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