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PDB: 89111 件

6BIC
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2.25 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor
分子名称: (phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate, 3C-like protease
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Weerawarna, P.M, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C.
登録日2017-11-01
公開日2018-11-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease.
Proteins, 87, 2019
6FUI
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Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol
分子名称: (1~{R},2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid, Complement factor D
著者Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S.
登録日2018-02-27
公開日2018-06-06
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
5V3X
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Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM1
分子名称: Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate
著者Aggarwal, A, Sacchettini, J.C.
登録日2017-03-08
公開日2017-07-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.936 Å)
主引用文献Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
4JI5
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Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
分子名称: 16S rRNA, MAGNESIUM ION, RIBOSOMAL PROTEIN S10, ...
著者Demirci, H, Wang, L, Murphy IV, F, Murphy, E, Carr, J, Blanchard, S, Jogl, G, Dahlberg, A.E, Gregory, S.T.
登録日2013-03-05
公開日2013-11-06
最終更新日2013-12-04
実験手法X-RAY DIFFRACTION (3.85 Å)
主引用文献The central role of protein S12 in organizing the structure of the decoding site of the ribosome.
Rna, 19, 2013
6BIB
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1.95 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor
分子名称: 3C-like protease, benzyl [(9S,12S,15S)-12-(cyclohexylmethyl)-9-(hydroxymethyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Weerawarna, P.M, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C.
登録日2017-11-01
公開日2018-11-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease.
Proteins, 87, 2019
5TYG
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DNA Polymerase Mu Product Complex, 10 mM Mg2+ (960 min)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2016-11-19
公開日2017-08-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.726 Å)
主引用文献Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
6FXE
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BBE31 from Lyme disease agent Borrelia (Borreliella) burgdorferi playing a vital role in successful colonization of the mammalian host
分子名称: GLUTATHIONE, Putative surface protein
著者Brangulis, K, Akopjana, I, Petrovskis, I, Kazaks, A, Tars, K.
登録日2018-03-08
公開日2019-03-20
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献BBE31 from the Lyme disease agent Borrelia burgdorferi, known to play an important role in successful colonization of the mammalian host, shows the ability to bind glutathione.
Biochim Biophys Acta Gen Subj, 1864, 2019
4U6W
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HsMetAP (F220M) in complex with 1-amino-2-propylpentyl]phosphonic acid
分子名称: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-30
公開日2015-03-25
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U71
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HsMetAP(F309M) IN COMPLEX WITH 1- amino(cyclohexyl)methy)phosphonic acid
分子名称: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-30
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
5FI3
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HETEROYOHIMBINE SYNTHASE THAS1 FROM CATHARANTHUS ROSEUS - COMPLEX WITH NADP+
分子名称: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Tetrahydroalstonine synthase, ...
著者Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E.
登録日2015-12-22
公開日2016-07-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
6FZ8
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Crystal Structure of lipase from Geobacillus stearothermophilus T6 methanol stable variant L184F/A187F
分子名称: CALCIUM ION, Lipase, ZINC ION
著者Gihaz, S, Kanteev, M, Pazy, Y, Fishman, A.
登録日2018-03-14
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Filling the Void: Introducing Aromatic Interactions into Solvent Tunnels To Enhance Lipase Stability in Methanol.
Appl.Environ.Microbiol., 84, 2018
5U1R
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Structure of human MR1-diclofenac in complex with human MAIT A-F7 TCR
分子名称: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, Beta-2-microglobulin, ...
著者Keller, A.N, Rossjohn, J.
登録日2016-11-28
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
6FZD
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Crystal Structure of lipase from Geobacillus stearothermophilus T6 variant L184F/A187F/L360F
分子名称: CALCIUM ION, Lipase, ZINC ION
著者Gihaz, S, Kanteev, M, Pazy, Y, Fishman, A.
登録日2018-03-14
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Filling the Void: Introducing Aromatic Interactions into Solvent Tunnels To Enhance Lipase Stability in Methanol.
Appl.Environ.Microbiol., 84, 2018
5D8M
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BU of 5d8m by Molmil
Crystal structure of the metagenomic carboxyl esterase MGS0156
分子名称: Metagenomic carboxyl esterase MGS0156
著者Cui, H, Nocek, B, Tchigvintsev, A, Popovic, A, Savchenko, A, Joachimiak, A, Yakunin, A.
登録日2015-08-17
公開日2016-10-05
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of esterase (MGS0156)
To Be Published
5HGR
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Structure of Anabaena (Nostoc) sp. PCC 7120 Orange Carotenoid Protein binding canthaxanthin
分子名称: Orange Carotenoid Protein (OCP), beta,beta-carotene-4,4'-dione
著者Sutter, M, Leverenz, R.L, Kerfeld, C.A.
登録日2016-01-08
公開日2016-11-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.681 Å)
主引用文献Different Functions of the Paralogs to the N-Terminal Domain of the Orange Carotenoid Protein in the Cyanobacterium Anabaena sp. PCC 7120.
Plant Physiol., 171, 2016
5DAI
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BU of 5dai by Molmil
Proliferating cell nuclear antigen homolog 1 bound to FEN-1 peptide
分子名称: C-terminus of FEN-1 protein, DNA polymerase sliding clamp 1, SULFATE ION
著者Ladner, J.E, Altieri, A.S, Kelman, Z.
登録日2015-08-20
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A small protein inhibits proliferating cell nuclear antigen by breaking the DNA clamp.
Nucleic Acids Res., 44, 2016
1M5L
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BU of 1m5l by Molmil
Structure of wild-type and mutant internal loops from the SL-1 domain of the HIV-1 packaging signal
分子名称: modified HIV-1 packaging signal stem-loop 1 RNA
著者Gallego, J, Greatorex, J, Varani, G, Lever, A.
登録日2002-07-09
公開日2002-09-18
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and stability of wild-type and mutant RNA internal loops from the SL-1 domain of the HIV-1 packaging signal
J.Mol.Biol., 322, 2002
3LZU
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BU of 3lzu by Molmil
Crystal Structure of a Nelfinavir Resistant HIV-1 CRF01_AE Protease variant (N88S) in Complex with the Protease Inhibitor Darunavir.
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, HIV-1 protease
著者Schiffer, C.A, Bandaranayake, R.M.
登録日2010-03-01
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The Effect of Clade-Specific Sequence Polymorphisms on HIV-1 Protease Activity and Inhibitor Resistance Pathways.
J.Virol., 84, 2010
6BO8
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Cryo-EM structure of human TRPV6 in nanodiscs
分子名称: Transient receptor potential cation channel subfamily V member 6
著者McGoldrick, L.L, Singh, A.K, Saotome, K, Yelshanskaya, M.V, Twomey, E.C, Grassucci, R.A, Sobolevsky, A.I.
登録日2017-11-18
公開日2017-12-20
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Opening of the human epithelial calcium channel TRPV6.
Nature, 553, 2018
4ZJL
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Crystal structure of AcrB in complex with antibiotic in P21 space group
分子名称: DODECYL-BETA-D-MALTOSIDE, ERYTHROMYCIN A, Multidrug efflux pump subunit AcrB, ...
著者Ababou, A, Koronakis, V.
登録日2015-04-29
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.47 Å)
主引用文献Structures of Gate Loop Variants of the AcrB Drug Efflux Pump Bound by Erythromycin Substrate.
Plos One, 11, 2016
6HH3
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ADP-ribosylserine hydrolase ARH3 of Latimeria chalumnae in complex with ADP-HPD
分子名称: 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, ADP-ribosylhydrolase like 2, GLYCEROL, ...
著者Ariza, A.
登録日2018-08-24
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献(ADP-ribosyl)hydrolases: Structural Basis for Differential Substrate Recognition and Inhibition.
Cell Chem Biol, 25, 2018
1M7D
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Crystal structure of a Monoclonal Fab Specific for Shigella flexneri Y Lipopolysaccharide complexed with a trisaccharide
分子名称: alpha-L-rhamnopyranose-(1-3)-alpha-L-Olivopyranose-(1-3)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, heavy chain of the monoclonal antibody Fab SYA/J6, light chain of the monoclonal antibody Fab SYA/J6
著者Vyas, N.K, Vyas, M.N, Chervenak, M.C, Johnson, M.A, Pinto, B.M, Bundle, D.R, Quiocho, F.A.
登録日2002-07-19
公開日2003-07-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular Recognition of Oligosaccharide Epitopes by a Monoclonal Fab Specific for Shigella flexneri Y Lipopolysaccharide: X-ray Structures and Thermodynamics
Biochemistry, 41, 2002
6G37
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Crystal structure of haspin in complex with 5-fluorotubercidin
分子名称: 5-fluorotubercidin, PHOSPHATE ION, Serine/threonine-protein kinase haspin
著者Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-03-24
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018
3M1N
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Crystal structure of Human Sonic Hedgehog N-terminal domain
分子名称: SULFATE ION, Sonic hedgehog protein, ZINC ION
著者Boriack-Sjodin, P.A, Pepinsky, R.B, Garber, E.A, Silvian, L.F.
登録日2010-03-05
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mapping sonic hedgehog-receptor interactions by steric interference.
J.Biol.Chem., 275, 2000
6I0I
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Structure of the streptomyces subtilisin and TAMP inhibitor (SSTI)
分子名称: Transglutaminase-activating metalloprotease inhibitor
著者Schmelz, S, Juettner, N.E, Fuchsbauer, H.L, Scrima, A.
登録日2018-10-26
公開日2019-09-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.448 Å)
主引用文献The N-terminal peptide of the transglutaminase-activating metalloprotease inhibitor from Streptomyces mobaraensis accommodates both inhibition and glutamine cross-linking sites.
Febs J., 287, 2020

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