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PDB: 40736 件

7LV6
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The structure of MalL mutant enzyme S536R from Bacillus subtilis
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ...
著者Hamill, C.J, Prentice, E.J, Bahl, C.D, Truebridge, I.S, Arcus, V.L.
登録日2021-02-24
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Urea binding to guide rational design of mutations that influence enzyme dynamics
To Be Published
6TEO
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BU of 6teo by Molmil
Crystal structure of a yeast Snu114-Prp8 complex
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Pre-mRNA-splicing factor 8, ...
著者Ganichkin, O, Jia, J, Loll, B, Absmeier, E, Wahl, M.C.
登録日2019-11-12
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A Snu114-GTP-Prp8 module forms a relay station for efficient splicing in yeast.
Nucleic Acids Res., 48, 2020
5VN7
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Structure of bacteriorhodopsin from crystals grown at 20 deg Celcius using GlyNCOC15+4 as an LCP host lipid
分子名称: Bacteriorhodopsin
著者Ishchenko, A, Peng, L, Zinovev, E, Vlasov, A, Lee, S.C, Kuklin, A, Mishin, A, Borshchevskiy, V, Zhang, Q, Cherezov, V.
登録日2017-04-28
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Chemically Stable Lipids for Membrane Protein Crystallization.
Cryst Growth Des, 17, 2017
7LY8
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BU of 7ly8 by Molmil
The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the enzyme alpha-site, a single F6F molecule at the enzyme beta-site, and sodium ion at the metal coordination site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
分子名称: 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, CHLORIDE ION, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2021-03-06
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the enzyme alpha-site, a single F6F molecule at the enzyme beta-site, and sodium ion at the metal coordination site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
2PJD
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Crystal structure of 16S rRNA methyltransferase RsmC
分子名称: Ribosomal RNA small subunit methyltransferase C
著者Sunita, S, Purta, E, Durawa, M, Tkaczuk, K.L, Bujnicki, J.M, Sivaraman, J.
登録日2007-04-16
公開日2007-07-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Functional specialization of domains tandemly duplicated within 16S rRNA methyltransferase RsmC
Nucleic Acids Res., 35, 2007
6T1N
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BU of 6t1n by Molmil
Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 5
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL
著者Chaikuad, A, Heidenreich, D, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-10-04
公開日2019-11-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.
Acs Med.Chem.Lett., 10, 2019
6DAU
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Crystal structure of E33Q and E41Q mutant forms of the spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae
分子名称: GLYCEROL, Spermidine N1-acetyltransferase
著者Filippova, E.V, Minasov, G, Beahan, A, Kulyavtsev, P, Tan, L, Tran, D, Kuhn, M.L, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-05-02
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal structure of E33Q and E41Q mutant forms of the spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae.
To be Published
4N5G
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BU of 4n5g by Molmil
Crystal Structure of RXRa LBD complexed with a synthetic modulator K8012
分子名称: 5-(2-{(1Z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha
著者Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C.
登録日2013-10-09
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site.
Chem.Biol., 21, 2014
2PG5
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Crystal Structure of Human Microsomal P450 2A6 N297Q
分子名称: 1,2-ETHANEDIOL, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE
著者Sansen, S, Hsu, M.H, Stout, C.D, Johnson, E.F.
登録日2007-04-06
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural insight into the altered substrate specificity of human cytochrome P450 2A6 mutants.
Arch.Biochem.Biophys., 464, 2007
4MZW
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BU of 4mzw by Molmil
CRYSTAL STRUCTURE OF NU-CLASS GLUTATHIONE TRANSFERASE YGHU FROM Streptococcus sanguinis SK36, COMPLEX WITH GLUTATHIONE DISULFIDE, TARGET EFI-507286
分子名称: ACETATE ION, Glutathione S-Transferase, OXIDIZED GLUTATHIONE DISULFIDE
著者Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-09-30
公開日2013-10-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of Glutathione S-Transferase Yghu (Target Efi-507286)
To be Published
6TLI
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THERMOLYSIN (60% ISOPROPANOL SOAKED CRYSTALS)
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, ISOPROPYL ALCOHOL, ...
著者English, A.C, Done, S.H, Groom, C.R, Hubbard, R.E.
登録日1998-10-29
公開日2000-03-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Locating interaction sites on proteins: the crystal structure of thermolysin soaked in 2% to 100% isopropanol.
Proteins, 37, 1999
4N35
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Structure of langerin CRD I313 complexed with GlcNAc-beta1-3Gal-beta1-4Glc-beta-CH2CH2N3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, C-type lectin domain family 4 member K, ...
著者Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E.
登録日2013-10-06
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Common polymorphisms in human langerin change specificity for glycan ligands.
J.Biol.Chem., 288, 2013
4N3O
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BU of 4n3o by Molmil
2.4 Angstrom Resolution Crystal Structure of Putative Sugar Kinase from Campylobacter jejuni.
分子名称: CALCIUM ION, Putative D-glycero-D-manno-heptose 7-phosphate kinase
著者Minasov, G, Wawrzak, Z, Gordon, E, Onopriyenko, O, Grimshaw, S, Kwon, K, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-10-07
公開日2013-10-16
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献2.4 Angstrom Resolution Crystal Structure of Putative Sugar Kinase from Campylobacter jejuni.
TO BE PUBLISHED
6TBR
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BU of 6tbr by Molmil
Glycosylated AA13 Lytic polysaccharide monooxygenase from Aspergillus oryzae in P1 space group
分子名称: AoAA13, ZINC ION
著者Frandsen, K.E.H, Muderspach, S.J, Tandrup, T, Poulsen, J.C.N, Lo Leggio, L.
登録日2019-11-04
公開日2020-03-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Further structural studies of the lytic polysaccharide monooxygenase AoAA13 belonging to the starch-active AA13 family
Amylase, 3(1), 2019
7LXG
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BU of 7lxg by Molmil
Homocitrullinated beta-lactamase OXA-48
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Serrano-Negron, J.E, King, D.T, Vocadlo, D.J.
登録日2021-03-03
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Chemoproteomic identification of CO 2 -dependent lysine carboxylation in proteins.
Nat.Chem.Biol., 18, 2022
6TRY
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BU of 6try by Molmil
Crystal structure of human Aldehyde dehydrogenase 1A3 in complex with MF13 inhibitor compound
分子名称: 8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine, Aldehyde dehydrogenase family 1 member A3, GLYCEROL, ...
著者Gelardi, E.L.M, Garavaglia, S.
登録日2019-12-19
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Progress in the Field of Aldehyde Dehydrogenase Inhibitors: Novel Imidazo[1,2- a ]pyridines against the 1A Family.
Acs Med.Chem.Lett., 11, 2020
2PGO
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The crystal structure of FAD and ThDP dependent Cyclohexane-1,2-dione Hydrolase (Cdh) from Azoarcus sp. strain 22Lin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cyclohexane-1,2-dione Hydrolase (Cdh), ...
著者Steinbach, A.K, Warkentin, E, Kroneck, P.M.H, Ermler, U.
登録日2007-04-10
公開日2008-04-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献The crystal structure of FAD and ThDP dependent Cyclohexane-1,2-dione Hydrolase (Cdh) from Azoarcus sp. strain 22Lin
To be Published
7LIU
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DDX3X bound to ATP analog and remodeled RNA:DNA hybrid
分子名称: 5'-R(*GP*GP*GP*CP*GP*GP*G)-D(P*CP*CP*CP*GP*CP*CP*C)-3', ATP-dependent RNA helicase DDX3X, MAGNESIUM ION, ...
著者Enemark, E.J, Yu, S.
登録日2021-01-27
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献DDX3X bound to ATP analog and remodeled RNA:DNA hybrid
To Be Published
7LH8
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR JJ-II-131
分子名称: (5R)-1-ethyl-5-(4-methylphenyl)-7-({1-[(4-nitrophenyl)methyl]piperidin-4-yl}methyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
著者Schonbrunn, E, Chan, A.
登録日2021-01-21
公開日2022-07-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Dihydropyridine Lactam Analogs Targeting BET Bromodomains.
Chemmedchem, 17, 2022
2PHN
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Crystal structure of an amide bond forming F420-gamma glutamyl ligase from Archaeoglobus fulgidus
分子名称: 1,2-ETHANEDIOL, ACETATE ION, F420-0:gamma-glutamyl ligase, ...
著者Nocek, B, Evdokimova, E, Kudritska, M, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-04-11
公開日2007-05-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of an Amide Bond Forming F(420):gammagamma-glutamyl Ligase from Archaeoglobus Fulgidus - A Member of a New Family of Non-ribosomal Peptide Synthases.
J.Mol.Biol., 372, 2007
2PK0
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Structure of the S. agalactiae serine/threonine phosphatase at 2.65 resolution
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Rantanen, M.K, Lehtio, L, Rajagopal, L, Rubens, C.E, Goldman, A.
登録日2007-04-17
公開日2007-06-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of Streptococcus agalactiae serine/threonine phosphatase. The subdomain conformation is coupled to the binding of a third metal ion
Febs J., 274, 2007
2PKT
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Crystal structure of the human CLP-36 (PDLIM1) bound to the C-terminal peptide of human alpha-actinin-1
分子名称: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
著者Uppenberg, J, Gileadi, C, Elkins, J, Bray, J, Burgess-Brown, N, Salah, E, Gileadi, O, Bunkoczi, G, Ugochukwu, E, Umeano, C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2007-04-18
公開日2007-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms
Protein Sci., 19, 2010
7LRK
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BU of 7lrk by Molmil
Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-093
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-2-methyl-5-[[(3~{S})-pyrrolidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF
著者Chan, A, Schonbrunn, E.
登録日2021-02-16
公開日2022-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7LP0
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Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-077
分子名称: 1,2-ETHANEDIOL, 4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one, DIMETHYL SULFOXIDE, ...
著者Chan, A, Schonbrunn, E.
登録日2021-02-11
公開日2022-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7LRO
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Crystal structure of BPTF bromodomain in complex with inhibitor HZ-01-105
分子名称: 1,2-ETHANEDIOL, 5-(azetidin-3-ylamino)-4-chloranyl-2-methyl-pyridazin-3-one, DIMETHYL SULFOXIDE, ...
著者Chan, A, Schonbrunn, E.
登録日2021-02-17
公開日2022-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021

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