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4J53
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Crystal structure of PLK1 in complex with TAK-960
分子名称: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ...
著者Hosfield, D.J, Skene, R.J.
登録日2013-02-07
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1).
Bioorg.Med.Chem.Lett., 23, 2013
4J5C
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BU of 4j5c by Molmil
Human Cyclophilin D Complexed with an Inhibitor
分子名称: 1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F.
登録日2013-02-08
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3E9D
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Structure of full-length TIGAR from Danio rerio
分子名称: PHOSPHATE ION, POTASSIUM ION, Zgc:56074
著者Li, H, Jogl, G.
登録日2008-08-21
公開日2008-12-16
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献TIGAR (TP53 induced glycolysis and apoptosis regulator) is a fructose-2,6- and fructose-1,6-bisphosphatase
To be Published
4J5O
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BU of 4j5o by Molmil
Room temperature crystal structure of a RNA binding motif protein 39 (Rbm39) from Mus musculus at 1.11 A resolution
分子名称: RNA-binding protein 39
著者Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
登録日2013-02-08
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Room temperature crystal structure of a RNA binding motif protein 39 (Rbm39) from Mus musculus at 1.11 A resolution
To be published
2QF3
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BU of 2qf3 by Molmil
Structure of the delta PDZ truncation of the DegS protease
分子名称: PHOSPHATE ION, Protease degS
著者Sohn, J, Grant, R.A, Sauer, R.T.
登録日2007-06-26
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Allosteric activation of DegS, a stress sensor PDZ protease.
Cell(Cambridge,Mass.), 131, 2007
4J6M
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BU of 4j6m by Molmil
Crystal structure of calcium2+-free wild-type CD23 lectin domain (crystal form D)
分子名称: Low affinity immunoglobulin epsilon Fc receptor, SULFATE ION
著者Dhaliwal, B, Fabiane, S.M, Sutton, B.J.
登録日2013-02-11
公開日2013-08-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Conformational plasticity at the IgE-binding site of the B-cell receptor CD23.
Mol.Immunol., 56, 2013
2QHD
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BU of 2qhd by Molmil
Crystal structure of ecarpholin S (ser49-PLA2) complexed with fatty acid
分子名称: LAURIC ACID, Phospholipase A2
著者Zhou, X, Tan, T.C, Valiyaveettil, S, Go, M.L, Kini, R.M, Sivaraman, J.
登録日2007-07-02
公開日2007-10-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Characterization of Myotoxic Ecarpholin S from Echis carinatus Venom
Biophys.J., 95, 2008
2QFZ
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Crystal structure of human TBC1 domain family member 22A
分子名称: TBC1 domain family member 22A, UNKNOWN ATOM OR ION
著者Tong, Y, Tempel, W, Dimov, S, Dong, A, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2007-06-28
公開日2007-07-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human TBC1 domain family member 22A.
To be Published
4J75
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BU of 4j75 by Molmil
Crystal Structure of a parasite tRNA synthetase, product-bound
分子名称: GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase
著者Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-02-12
公開日2013-05-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design.
Mol.Biochem.Parasitol., 189, 2013
2QHR
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BU of 2qhr by Molmil
Crystal structure of the 13F6-1-2 Fab fragment bound to its Ebola virus glycoprotein peptide epitope.
分子名称: 13F6-1-2 Fab fragment V lambda x light chain, 13F6-1-2 Fab fragment heavy chain, Envelope glycoprotein peptide
著者Lee, J.E, Kuehne, A, Abelson, D.M, Fusco, M.L, Hart, M.K, Saphire, E.O.
登録日2007-07-02
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Complex of a protective antibody with its Ebola virus GP peptide epitope: unusual features of a V lambda x light chain.
J.Mol.Biol., 375, 2008
2QIA
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BU of 2qia by Molmil
Structural basis for the acyl chain selectivity and mechanism of UDP-N-acetylglucosamine Acyltransferase
分子名称: UDP-N-acetylglucosamine acyltransferase, uridine-5'-diphosphate-3-O-(R-3-hydroxymyristoyl)-N-acetyl-D-glucosamine
著者Williams, A.H, Raetz, C.R.H.
登録日2007-07-03
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural basis for the acyl chain selectivity and mechanism of UDP-N-acetylglucosamine acyltransferase
Proc.Natl.Acad.Sci.Usa, 104, 2007
3EA8
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BU of 3ea8 by Molmil
Crystal structure of SARS-CoV main protease triple mutant STI/A in space group C2
分子名称: 3C-like proteinase
著者Shi, J.H, Jayaraman, S, Song, J.X.
登録日2008-08-25
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of SARS-CoV Mpro mutant
To be Published
4J8M
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BU of 4j8m by Molmil
Aurora A in complex with CD532
分子名称: 1,2-ETHANEDIOL, 1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea, Aurora kinase A, ...
著者Meyerowitz, J.G, Gustafson, W.C, Shokat, K.M, Weiss, W.A.
登録日2013-02-14
公開日2014-09-10
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Drugging MYCN through an Allosteric Transition in Aurora Kinase A.
Cancer Cell, 26, 2014
2QIR
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BU of 2qir by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(6')-Ib in complex whith coenzyme A and kanamycin
分子名称: (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, Aminoglycoside 6-N-acetyltransferase type Ib11, COENZYME A
著者Maurice, F, Broutin, I, Podglajen, I, Benas, P, Collatz, E, Dardel, F.
登録日2007-07-05
公開日2008-04-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Enzyme structural plasticity and the emergence of broad-spectrum antibiotic resistance.
Embo Rep., 9, 2008
2QIE
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BU of 2qie by Molmil
Staphylococcus aureus molybdopterin synthase in complex with precursor Z
分子名称: (2R,4AR,5AR,11AR,12AS)-8-AMINO-2-HYDROXY-4A,5A,9,11,11A,12A-HEXAHYDRO[1,3,2]DIOXAPHOSPHININO[4',5':5,6]PYRANO[3,2-G]PTERIDINE-10,12(4H,6H)-DIONE 2-OXIDE, Molybdopterin synthase small subunit, Molybdopterin-converting factor subunit 2
著者Daniels, J.N, Schindelin, H.
登録日2007-07-04
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a molybdopterin synthase-precursor Z complex: insight into its sulfur transfer mechanism and its role in molybdenum cofactor deficiency.
Biochemistry, 47, 2008
4J88
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Dark-state structure of sfGFP containing the unnatural amino acid p-azido-phenylalanine at residue 66
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Green fluorescent protein, ...
著者Reddington, S.C, Jones, D.D, Rizkallah, P.J, Tippmann, E.M.
登録日2013-02-14
公開日2013-06-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Different Photochemical Events of a Genetically Encoded Phenyl Azide Define and Modulate GFP Fluorescence.
Angew.Chem.Int.Ed.Engl., 52, 2013
4J9C
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BU of 4j9c by Molmil
Crystal structure of the Abl-SH3 domain H59Q-N96T mutant complexed with the designed high-affinity peptide ligand P17
分子名称: DI(HYDROXYETHYL)ETHER, P17, TRIETHYLENE GLYCOL, ...
著者Camara-Artigas, A.
登録日2013-02-16
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.051 Å)
主引用文献Crystal structure of the Abl-SH3 domain H59Q-N96T mutant complexed with the designed high-affinity peptide ligand P17
To be Published
4I1Y
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BU of 4i1y by Molmil
The structure of Cysteine synthase from Mycobacterium ulcerans Agy99
分子名称: CHLORIDE ION, Cysteine synthase, SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-11-21
公開日2012-12-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3EGB
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BU of 3egb by Molmil
Structure of Pellino2 FHA domain at 3.3 Angstroms resolution.
分子名称: Protein pellino homolog 2
著者Ferguson, K.M, Lin, C, Schmitz, K.R.
登録日2008-09-10
公開日2008-12-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Pellino proteins contain a cryptic FHA domain that mediates interaction with phosphorylated IRAK1.
Structure, 16, 2008
4I3E
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BU of 4i3e by Molmil
Crystal structure of Staphylococcal IMPase - I complexed with products.
分子名称: GLYCEROL, Inositol monophosphatase family protein, MAGNESIUM ION, ...
著者Bhattacharyya, S, Dutta, A, Dutta, D, Das, A.K.
登録日2012-11-26
公開日2013-12-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of Staphylococcal IMPase - I complexed with products.
To be Published
4I3Y
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Crystal structure of Staphylococcal inositol monophosphatase-1: 100 mM LiCl soaked inhibitory complex
分子名称: GLYCEROL, Inositol monophosphatase family protein, MAGNESIUM ION, ...
著者Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K.
登録日2012-11-26
公開日2013-11-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase.
Febs J., 281, 2014
3EHS
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BU of 3ehs by Molmil
Crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (CRFR1)
分子名称: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, fusion protein of CRFR1 extracellular domain and MBP
著者Pioszak, A.A, Xu, H.E.
登録日2008-09-14
公開日2008-09-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Molecular Recognition of Corticotropin-releasing Factor by Its G-protein-coupled Receptor CRFR1.
J.Biol.Chem., 283, 2008
3EDH
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Crystal structure of bone morphogenetic protein 1 protease domain in complex with partially bound DMSO
分子名称: ACETYL GROUP, Bone morphogenetic protein 1, DIMETHYL SULFOXIDE, ...
著者Mac Sweeney, A.
登録日2008-09-03
公開日2008-09-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural basis for the substrate specificity of bone morphogenetic protein 1/tolloid-like metalloproteases
To be Published
3U2D
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BU of 3u2d by Molmil
S. aureus GyrB ATPase domain in complex with small molecule inhibitor
分子名称: 4-bromo-5-methyl-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide, DNA gyrase subunit B, MAGNESIUM ION
著者Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A.
登録日2011-10-03
公開日2012-01-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.
Antimicrob.Agents Chemother., 56, 2012
3TLX
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BU of 3tlx by Molmil
Crystal Structure of PF10_0086, adenylate kinase from plasmodium falciparum
分子名称: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Wernimont, A.K, Loppnau, P, Crombet, L, Weadge, J, Perieteanu, A, Edwards, A.M, Arrowsmith, C.H, Park, H, Bountra, C, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2011-08-30
公開日2011-10-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structure of PF10_0086, adenylate kinase from plasmodium falciparum
TO BE PUBLISHED

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