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4KSM
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Crystal structure of Escherichia coli glutraredoxin 2 C9S/C12S mutant without glutathione
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutaredoxin-2
著者Ye, J, Venkadesh, S, Rosen, B.P.
登録日2013-05-17
公開日2014-05-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of E.Coli glutaredoxin 2 with glutathione and of a mutant C9S/C12S without glutathione
To be Published
4KGK
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BU of 4kgk by Molmil
Bacterial tRNA(HIS) Guanylyltransferase (Thg1)-Like Protein in complex with GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Thg1-like uncharacterized protein
著者Hyde, S.J, Rao, B.S, Eckenroth, B.E, Jackman, J.E, Doublie, S.
登録日2013-04-29
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural Studies of a Bacterial tRNA(HIS) Guanylyltransferase (Thg1)-Like Protein, with Nucleotide in the Activation and Nucleotidyl Transfer Sites.
Plos One, 8, 2013
4KT2
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Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with mg and glycerol
分子名称: CHLORIDE ION, D-mannonate dehydratase, GLYCEROL, ...
著者Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C.
登録日2013-05-19
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with mg and glycerol
To be Published
4K1U
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BU of 4k1u by Molmil
Crystal structure of delta5-3-ketosteroid isomerase containing Y16F and Y32F mutations
分子名称: Steroid Delta-isomerase
著者Cha, H.J, Jang, D.S, Kim, Y.G, Hong, B.H, Woo, J.S, Choi, K.Y.
登録日2013-04-05
公開日2013-07-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rescue of deleterious mutations by the compensatory Y30F mutation in ketosteroid isomerase
Mol.Cells, 36, 2013
4ZTT
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BU of 4ztt by Molmil
Crystal structures of ferritin mutants reveal diferric-peroxo intermediates
分子名称: Bacterial non-heme ferritin, FE (II) ION, FE (III) ION, ...
著者Kim, S, Park, Y.H, Jung, S.W, Seok, J.H, Chung, Y.B, Lee, D.B, Gowda, G, Lee, J.H, Han, H.R, Cho, A.E, Lee, C, Chung, M.S, Kim, K.H.
登録日2015-05-15
公開日2016-06-15
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural Basis of Novel Iron-Uptake Route and Reaction Intermediates in Ferritins from Gram-Negative Bacteria.
J. Mol. Biol., 428, 2016
4KMN
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BU of 4kmn by Molmil
Structure of cIAP1-BIR3 and inhibitor
分子名称: (2S)-N-{(2R)-1-[(2R,4S)-2-{[6,6'-difluoro-3'-({(2R,4S)-4-hydroxy-1-[(2S)-2-{[(2S)-2-(methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-yl}methyl)-1H,1'H-2,2'-biindol-3-yl]methyl}-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl}-2-(methylamino)propanamide, Baculoviral IAP repeat-containing protein 2, PHOSPHATE ION, ...
著者Li, X, Wang, J, Condon, S.M, Shi, Y.
登録日2013-05-08
公開日2014-05-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.523 Å)
主引用文献Structure of cIAP1-BIR3 and inhibitor
To be Published
4K2R
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BU of 4k2r by Molmil
Structural basis for activation of ZAP-70 by phosphorylation of the SH2-kinase linker
分子名称: MAGNESIUM ION, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Yan, Q, Barros, T, Visperas, P.R, Deindl, S, Kadlecek, T.A, Weiss, A, Kuriyan, J.
登録日2013-04-09
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Basis for Activation of ZAP-70 by Phosphorylation of the SH2-Kinase Linker.
Mol.Cell.Biol., 33, 2013
4KPU
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BU of 4kpu by Molmil
Electron transferring flavoprotein of Acidaminococcus fermentans: Towards a mechanism of flavin-based electron bifurcation
分子名称: CHLORIDE ION, Electron transfer flavoprotein alpha subunit, Electron transfer flavoprotein alpha/beta-subunit, ...
著者Mowafy, A.M, Chowdhury, N.P, Demmer, J, Upadhyay, V, Kolzer, S, Jayamani, E, Kahnt, J, Demmer, U, Ermler, U, Buckel, W.
登録日2013-05-14
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Studies on the Mechanism of Electron Bifurcation Catalyzed by Electron Transferring Flavoprotein (Etf) and Butyryl-CoA Dehydrogenase (Bcd) of Acidaminococcus fermentans.
J.Biol.Chem., 289, 2014
5A96
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BU of 5a96 by Molmil
Crystal structure of Lymantria dispar CPV14 polyhedra
分子名称: GUANOSINE-5'-TRIPHOSPHATE, POLYHEDRIN
著者Ji, X, Axford, D, Owen, R, Evans, G, Ginn, H.M, Sutton, G, Stuart, D.I.
登録日2015-07-17
公開日2015-09-02
最終更新日2015-10-14
実験手法X-RAY DIFFRACTION (1.914 Å)
主引用文献Polyhedra Structures and the Evolution of the Insect Viruses.
J.Struct.Biol., 192, 2015
5A99
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BU of 5a99 by Molmil
Crystal structure of Operophtera brumata CPV19 polyhedra
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, POLYHEDRIN
著者Ji, X, Axford, D, Owen, R, Evans, G, Ginn, H.M, Sutton, G, Stuart, D.I.
登録日2015-07-17
公開日2015-09-02
最終更新日2015-10-14
実験手法X-RAY DIFFRACTION (1.511 Å)
主引用文献Polyhedra Structures and the Evolution of the Insect Viruses.
J.Struct.Biol., 192, 2015
4ZY9
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BU of 4zy9 by Molmil
X-ray crystal structure of selenomethionine-labelled V110M mutant of chitosan-binding module 1 derived from chitosanase/glucanase from Paenibacillus sp. IK-5
分子名称: Glucanase/chitosanase
著者Shinya, S, Oi, H, Kitaoku, Y, Ohnuma, T, Numata, T, Fukamizo, T.
登録日2015-05-21
公開日2016-04-13
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Mechanism of chitosan recognition by CBM32 carbohydrate-binding modules from a Paenibacillus sp. IK-5 chitosanase/glucanase
Biochem.J., 473, 2016
4KSC
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BU of 4ksc by Molmil
Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain
分子名称: Multidrug resistance protein 1A
著者Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G.
登録日2013-05-17
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain.
Proc.Natl.Acad.Sci.USA, 110, 2013
4KT8
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BU of 4kt8 by Molmil
The complex structure of Rv3378c-Y51FY90F with substrate, TPP
分子名称: (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Diterpene synthase, PHOSPHATE ION
著者Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T.
登録日2013-05-20
公開日2014-02-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
5A0Q
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BU of 5a0q by Molmil
Cryo-EM reveals the conformation of a substrate analogue in the human 20S proteasome core
分子名称: ADA-(AHX)3-(LEU)3-VINYL SULFONE, PROTEASOME SUBUNIT ALPHA TYPE-1, PROTEASOME SUBUNIT ALPHA TYPE-2, ...
著者daFonseca, P.C.A, Morris, E.P.
登録日2015-04-22
公開日2015-12-30
最終更新日2017-08-02
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-Em Reveals the Conformation of a Substrate Analogue in the Human 20S Proteasome Core.
Nat.Commun., 6, 2015
4KFP
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BU of 4kfp by Molmil
Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived Ureas as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, N-(4-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Dragovich, P.S, Bair, K.W, Baumeister, T, Ho, Y, Liederer, B.M, Liu, X, O'Brien, T, Oeh, J, Sampath, D, Skelton, N, Wang, L, Wang, W, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X.
登録日2013-04-27
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4K0W
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BU of 4k0w by Molmil
X-ray crystal structure of OXA-23 A220 duplication clinical variant
分子名称: 1,2-ETHANEDIOL, BICARBONATE ION, Beta-lactamase, ...
著者Kaitany, K.J, Klinger, N.V, Leonard, D.A, Powers, R.A.
登録日2013-04-04
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structures of the Class D Carbapenemases OXA-23 and OXA-146: Mechanistic Basis of Activity against Carbapenems, Extended-Spectrum Cephalosporins, and Aztreonam.
Antimicrob.Agents Chemother., 57, 2013
4K14
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BU of 4k14 by Molmil
Crystal Structure of Staphylococcal nuclease mutant V66I/V99L
分子名称: Thermonuclease
著者Janowska, K, Sakon, J, Stites, W.E.
登録日2013-04-04
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Crystal Structure of Staphylococcal nuclease mutant V66I/V99L
TO BE PUBLISHED
4KJJ
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Cryogenic WT DHFR
分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S.
登録日2013-05-03
公開日2013-08-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Automated identification of functional dynamic contact networks from X-ray crystallography.
Nat.Methods, 10, 2013
5A7T
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BU of 5a7t by Molmil
Crystal structure of Sulfolobus acidocaldarius Trm10 at 2.4 angstrom resolution.
分子名称: DI(HYDROXYETHYL)ETHER, TRNA (ADENINE(9)-N1)-METHYLTRANSFERASE
著者Van Laer, B, Roovers, M, Wauters, L, Kasprzak, J, Dyzma, M, Deyaert, E, Feller, A, Bujnicki, J, Droogmans, L, Versees, W.
登録日2015-07-09
公開日2016-01-13
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and Functional Insights Into tRNA Binding and Adenosine N1-Methylation by an Archaeal Trm10 Homologue.
Nucleic Acids Res., 44, 2016
5A8F
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BU of 5a8f by Molmil
Structure and genome release mechanism of human cardiovirus Saffold virus-3
分子名称: GENOME POLYPHUMAN SAFFOLD VIRUS-3 VP3 PROTEIN, HUMAN SAFFOLD VIRUS-3 VP1, HUMAN SAFFOLD VIRUS-3 VP2
著者Mullapudi, E, Novacek, J, Palkova, L, Kulich, P, Lindberg, M, vanKuppeveld, F.J.M, Plevka, P.
登録日2015-07-15
公開日2016-06-08
最終更新日2019-10-30
実験手法ELECTRON MICROSCOPY (10.6 Å)
主引用文献Structure and Genome Release Mechanism of Human Cardiovirus Saffold Virus-3.
J.Virol., 90, 2016
8P37
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Structure a catalytically inactive mutant of the IMP dehydrogenase related protein GUAB3 from Synechocystis PCC 6803
分子名称: IMP dehydrogenase subunit, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, XANTHOSINE-5'-MONOPHOSPHATE
著者Hernandez-Gomez, A, Fernandez-Justel, D, Buey, R.M.
登録日2023-05-17
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.219 Å)
主引用文献GuaB3, an overlooked enzyme in cyanobacteria's toolbox that sheds light on IMP dehydrogenase evolution.
Structure, 31, 2023
4KKS
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Crystal Structure of BesA (C2 form)
分子名称: Membrane fusion protein, PHOSPHATE ION
著者Greene, N.P, Hinchliffe, P, Crow, A, Ababou, A, Hughes, C, Koronakis, V.
登録日2013-05-06
公開日2013-07-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of an atypical periplasmic adaptor from a multidrug efflux pump of the spirochete Borrelia burgdorferi.
Febs Lett., 587, 2013
5A8V
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BU of 5a8v by Molmil
Crystal structure of Orgyia pseudotsugata CPV5 polyhedra with SeMet substitution
分子名称: CALCIUM ION, POLYHEDRIN
著者Ji, X, Axford, D, Owen, R, Evans, G, Ginn, H.M, Sutton, G, Stuart, D.I.
登録日2015-07-17
公開日2015-09-02
最終更新日2019-10-23
実験手法X-RAY DIFFRACTION (2.074 Å)
主引用文献Polyhedra Structures and the Evolution of the Insect Viruses.
J.Struct.Biol., 192, 2015
5A92
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15K X-ray structure with Cefotaxime: Exploring the Mechanism of beta- Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography
分子名称: BETA-LACTAMASE CTX-M-97, CEFOTAXIME, C3' cleaved, ...
著者Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L.
登録日2015-07-17
公開日2015-12-16
最終更新日2018-10-03
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
4ZZN
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Human ERK2 in complex with an inhibitor
分子名称: 2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-N-methyl-benzamide, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION
著者Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K.
登録日2015-04-10
公開日2015-05-27
最終更新日2015-08-26
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2.
J.Med.Chem., 58, 2015

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