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6GNO
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BU of 6gno by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with Tetrabromobisphenol A (TBBPA)
分子名称: 4,4'-propane-2,2-diylbis(2,6-dibromophenol), SULFATE ION, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
3S40
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BU of 3s40 by Molmil
The crystal structure of a diacylglycerol kinases from Bacillus anthracis str. Sterne
分子名称: diacylglycerol kinase
著者Tan, K, Zhang, R, Xu, X, Cui, H, Peterson, S, Savchenko, A, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-05-18
公開日2011-06-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of a diacylglycerol kinases from Bacillus anthracis str. Sterne
To be Published
6QMN
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BU of 6qmn by Molmil
Crystal structure of a Ribonuclease A-Onconase chimera
分子名称: PHOSPHATE ION, Ribonuclease pancreatic
著者Esposito, L, Vitagliano, L, Ruggiero, A, Picone, D, Leone, S, Donnarumma, F.
登録日2019-02-07
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structure, stability and aggregation propensity of a Ribonuclease A-Onconase chimera.
Int.J.Biol.Macromol., 133, 2019
2YER
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BU of 2yer by Molmil
Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors
分子名称: 1,2-ETHANEDIOL, 5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
著者Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A, Otterbein, L.
登録日2011-03-30
公開日2012-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
2H01
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BU of 2h01 by Molmil
PY00414- Plasmodium yoelii thioredoxin peroxidase I
分子名称: 2-CYS PEROXIREDOXIN
著者Artz, J, Qiu, W, Min, J.R, Dong, A, Lew, J, Melone, M, Alam, Z, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
登録日2006-05-12
公開日2006-05-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of PY00414 - a Plasmodium yoelii thioredoxin peroxidase I
To be Published
6QN7
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BU of 6qn7 by Molmil
Structure of bovine anti-RSV hybrid Fab B4HC-B13LC
分子名称: Heavy chain of bovine anti-RSV B4, Light chain of bovine anti-RSV B13
著者Ren, J, Nettleship, J.E, Harris, G, Mwangi, W, Rhaman, N, Grant, C, Kotecha, A, Fry, E, Charleston, B, Stuart, D.I, Hammond, J, Owens, R.J.
登録日2019-02-10
公開日2019-05-29
最終更新日2019-08-21
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The role of the light chain in the structure and binding activity of two cattle antibodies that neutralize bovine respiratory syncytial virus.
Mol.Immunol., 112, 2019
4K08
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BU of 4k08 by Molmil
Periplasmic sensor domain of chemotaxis protein, Adeh_3718
分子名称: ACETATE ION, Methyl-accepting chemotaxis sensory transducer, ZINC ION
著者Pokkuluri, P.R, Mack, J.C, Bearden, J, Rakowski, E, Schiffer, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2013-04-03
公開日2013-07-17
最終更新日2015-04-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Analysis of periplasmic sensor domains from Anaeromyxobacter dehalogenans 2CP-C: structure of one sensor domain from a histidine kinase and another from a chemotaxis protein.
Microbiologyopen, 2, 2013
6QNV
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BU of 6qnv by Molmil
Fibrinogen-like globe domain of Human Tenascin-C
分子名称: Tenascin
著者Coker, J.A, Bezerra, G.A, Bradshaw, W.J, Zhang, M, Yosaatmadja, Y, Fernandez-Cid, A, Shrestha, L, Burgess-Brown, N, Gileadi, O, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC)
登録日2019-02-12
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fibrinogen-like globe domain of Human Tenascin-C
To Be Published
3SJF
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BU of 3sjf by Molmil
X-ray structure of human glutamate carboxypeptidase II in complex with a urea-based inhibitor (A25)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Plechanovova, A, Byun, Y, Alquicer, G, Skultetyova, L, Mlcochova, P, Nemcova, A, Kim, H, Navratil, M, Mease, R, Lubkowski, J, Pomper, M, Konvalinka, J, Rulisek, L, Barinka, C.
登録日2011-06-21
公開日2011-10-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity.
J.Med.Chem., 54, 2011
6GNW
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BU of 6gnw by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with 2,4,5-trichlorophenoxyacetic acid (2,4,5-T)
分子名称: 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6GOT
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BU of 6got by Molmil
Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(phenethylthio)benzenesulfonamide
分子名称: 4-(2-phenylethylsulfanyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Ferraroni, M, Supuran, C.T, Angeli, A.
登録日2018-06-04
公開日2018-10-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Synthesis of different thio-scaffolds bearing sulfonamide with subnanomolar carbonic anhydrase II and IX inhibitory properties and X-ray investigations for their inhibitory mechanism.
Bioorg. Chem., 81, 2018
5EPD
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BU of 5epd by Molmil
Crystal structure of Glycerol Trinitrate Reductase XdpB from Agrobacterium sp. R89-1 (Apo form)
分子名称: Glycerol trinitrate reductase
著者Kolenko, P, Zahradnik, J, Zuskova, I, Cerny, J, Palyzova, A, Kyslikova, E, Schneider, B.
登録日2015-11-11
公開日2016-11-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of XdpB, the bacterial old yellow enzyme, in an FMN-free form.
PLoS ONE, 13, 2018
2X8C
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BU of 2x8c by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni with the reduced C-terminal end
分子名称: DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, THIOREDOXIN GLUTATHIONE REDUCTASE, ...
著者Angelucci, F, Dimastrogiovanni, D, Boumis, G, Brunori, M, Miele, A.E, Saccoccia, F, Bellelli, A.
登録日2010-03-08
公開日2010-07-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Mapping the Catalytic Cycle of Schistosoma Mansoni Thioredoxin Glutathione Reductase by X-Ray Crystallography
J.Biol.Chem., 285, 2010
6GOD
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BU of 6god by Molmil
KRAS full length wild-type GPPNHP
分子名称: GLYCEROL, GTPase KRas, MAGNESIUM ION, ...
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H.
登録日2018-06-01
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3EGI
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BU of 3egi by Molmil
Methyltransferase domain of human trimethylguanosine synthase TGS1 bound to m7GpppA (inactive form)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Trimethylguanosine synthase homolog
著者Monecke, T, Dickmanns, A, Ficner, R.
登録日2008-09-10
公開日2009-03-31
最終更新日2012-04-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure analysis of the conserved methyltransferase domain of human trimethylguanosine synthase TGS1.
Acta Crystallogr.,Sect.D, 65, 2009
6QQ7
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BU of 6qq7 by Molmil
Bovine insulin at ambient pressure
分子名称: Insulin
著者Kurpiewska, K, Milaczewska, A, Lewinski, K.
登録日2019-02-18
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Insulin conformational changes under high pressure in structural studies and molecular dynamics simulations
J.Mol.Struct., 2020
6QQC
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BU of 6qqc by Molmil
Cryogenic temperature structure of Hen Egg White Lysozyme recorded after an accumulated dose of 110 kGy
分子名称: CHLORIDE ION, Lysozyme C
著者Gotthard, G, Aumonier, S, Royant, A.
登録日2019-02-18
公開日2019-06-19
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Specific radiation damage is a lesser concern at room temperature.
Iucrj, 6, 2019
6QQG
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BU of 6qqg by Molmil
High pressure structure of bovine insulin (60 MPa)
分子名称: Insulin
著者Kurpiewska, K, Milaczewska, A, Lewinski, K.
登録日2019-02-18
公開日2019-03-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.149 Å)
主引用文献Insulin conformational changes under high pressure in structural studies and molecular dynamics simulations
J.Mol.Struct., 2020
2H7R
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BU of 2h7r by Molmil
L244A mutant of Cytochrome P450cam complexed with imidazole
分子名称: 1-METHYLIMIDAZOLE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE
著者Verras, A, Alian, A, Montellano, P.R.
登録日2006-06-02
公開日2006-10-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cytochrome P450 active site plasticity: attenuation of imidazole binding in cytochrome P450cam by an L244A mutation.
Protein Eng.Des.Sel., 19, 2006
6QQO
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BU of 6qqo by Molmil
Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (3)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide, ...
著者Bueno, R.V, Davis, S, Dawson, A, Hunter, W.N.
登録日2019-02-18
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors
Acta Crystallogr.,Sect.D, 78, 2022
6QRO
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BU of 6qro by Molmil
Crystal structure of Tannerella forsythia glutaminyl cyclase
分子名称: Glutamine cyclotransferase, SULFATE ION, ZINC ION
著者Linnert, M, Piechotta, A, Parthier, C, Taudte, N, Kolenko, P, Rahfeld, J, Potempa, J, Stubbs, M.T.
登録日2019-02-19
公開日2019-03-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mammalian-like type II glutaminyl cyclases in Porphyromonas gingivalis and other oral pathogenic bacteria as targets for treatment of periodontitis.
J.Biol.Chem., 296, 2021
4K1G
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BU of 4k1g by Molmil
Structure of E. coli Nfo(Endo IV)-H69A mutant bound to a cleaved DNA duplex containing a alphadA:T basepair
分子名称: DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*GP*TP*CP*GP*TP*CP*GP*TP*GP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*TP*CP*C)-3'), ...
著者Morera, S, Vigouroux, A.
登録日2013-04-05
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Insight into mechanisms of 3'-5' exonuclease activity and removal of bulky 8,5'-cyclopurine adducts by apurinic/apyrimidinic endonucleases.
Proc.Natl.Acad.Sci.USA, 110, 2013
5DQ5
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BU of 5dq5 by Molmil
Endothiapepsin in complex with fragment 209
分子名称: 3-[2-(4-methyl-1,2-oxazol-3-yl)ethyl]pyridine, ACETATE ION, Endothiapepsin, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2015-09-14
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
to be published
3E5A
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BU of 3e5a by Molmil
Crystal structure of Aurora A in complex with VX-680 and TPX2
分子名称: CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, SULFATE ION, Serine/threonine-protein kinase 6, ...
著者Zhao, B, Smallwood, A, Lai, Z.
登録日2008-08-13
公開日2008-10-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Modulation of kinase-inhibitor interactions by auxiliary protein binding: crystallography studies on Aurora A interactions with VX-680 and with TPX2.
Protein Sci., 17, 2008
1L3P
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BU of 1l3p by Molmil
CRYSTAL STRUCTURE OF THE FUNCTIONAL DOMAIN OF THE MAJOR GRASS POLLEN ALLERGEN Phl p 5b
分子名称: MAGNESIUM ION, PHOSPHATE ION, POLLEN ALLERGEN Phl p 5b
著者Rajashankar, K.R, Bufe, A, Weber, W, Eschenburg, S, Lindner, B, Betzel, C.
登録日2002-02-28
公開日2003-02-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure of the functional domain of the major grass-pollen allergen Phlp 5b.
Acta Crystallogr.,Sect.D, 58, 2002

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