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4ZN7
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Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Diethylstilbestrol
分子名称: DIETHYLSTILBESTROL, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-05-04
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.934 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4ZH7
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Structural basis of Lewisb antigen binding by the Helicobacter pylori adhesin BabA
分子名称: Outer membrane protein-adhesin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose
著者Howard, T, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H.
登録日2015-04-24
公開日2015-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural basis of Lewis(b) antigen binding by the Helicobacter pylori adhesin BabA.
Sci Adv, 1, 2015
5MI3
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Structure of phosphorylated translation elongation factor EF-Tu from E. coli
分子名称: Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Talavera, A, Hendrix, J, Versees, W, De Gieter, S, Castro-Roa, D, Jurenas, D, Van Nerom, K, Vandenberk, N, Barth, A, De Greve, H, Hofkens, J, Zenkin, N, Loris, R, Garcia-Pino, A.
登録日2016-11-27
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Phosphorylation decelerates conformational dynamics in bacterial translation elongation factors.
Sci Adv, 4, 2018
4ZNV
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Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Methoxy-substituted OBHS derivative
分子名称: 2-methoxyphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-05-05
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.771 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5MWH
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BU of 5mwh by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ089
分子名称: NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide
著者Zhu, J, Caflisch, A.
登録日2017-01-18
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
3KLL
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BU of 3kll by Molmil
Crystal structure of Lactobacillus reuteri N-terminally truncated glucansucrase GTF180-maltose complex
分子名称: CALCIUM ION, GLYCEROL, Glucansucrase, ...
著者Vujicic-Zagar, A, Pijning, T, Kralj, S, Eeuwema, W, Dijkhuizen, L, Dijkstra, B.W.
登録日2009-11-08
公開日2010-11-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a 117 kDa glucansucrase fragment provides insight into evolution and product specificity of GH70 enzymes
Proc.Natl.Acad.Sci.USA, 107, 2010
3KCS
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Crystal structure of PAmCherry1 in the dark state
分子名称: PAmCherry1 protein
著者Malashkevich, V.N, Subach, F.V, Zencheck, W.D, Xiao, H, Filonov, G.S, Almo, S.C, Verkhusha, V.V.
登録日2009-10-21
公開日2009-11-17
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Photoactivation mechanism of PAmCherry based on crystal structures of the protein in the dark and fluorescent states.
Proc.Natl.Acad.Sci.USA, 106, 2009
3JCS
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BU of 3jcs by Molmil
2.8 Angstrom cryo-EM structure of the large ribosomal subunit from the eukaryotic parasite Leishmania
分子名称: 26S alpha ribosomal RNA, 26S delta ribosomal RNA, 26S epsilon ribosomal RNA, ...
著者Shalev-Benami, M, Zhang, Y, Matzov, D, Halfon, Y, Zackay, A, Rozenberg, H, Zimmerman, E, Bashan, A, Jaffe, C.L, Yonath, A, Skiniotis, G.
登録日2016-01-21
公開日2016-07-20
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献2.8- angstrom Cryo-EM Structure of the Large Ribosomal Subunit from the Eukaryotic Parasite Leishmania.
Cell Rep, 16, 2016
1CNX
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BU of 1cnx by Molmil
SECONDARY INTERACTIONS SIGNIFICANTLY REMOVED FROM THE SULFONAMIDE BINDING POCKET OF CARBONIC ANHYDRASE II INFLUENCE BINDING CONSTANTS
分子名称: AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Boriack, P.A, Christianson, D.W.
登録日1995-07-21
公開日1995-11-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Secondary interactions significantly removed from the sulfonamide binding pocket of carbonic anhydrase II influence inhibitor binding constants.
J.Med.Chem., 38, 1995
3K3U
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BU of 3k3u by Molmil
The V59W mutation blocks the distal pocket of the hemoglobin dehaloperoxidase from Amphitrite ornata
分子名称: Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者de Serrano, V, Davis, M.F, Franzen, S.
登録日2009-10-05
公開日2010-11-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献The V59W mutation blocks the distal pocket of the hemoglobin dehaloperoxidase from Amphitrite ornata
To be Published
8GCY
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BU of 8gcy by Molmil
Co-crystal structure of CBL-B in complex with N-Aryl isoindolin-1-one inhibitor
分子名称: 1,2-ETHANEDIOL, 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, ...
著者Kimani, S, Zeng, H, Dong, A, Li, Y, Santhakumar, V, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-03-03
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition.
Commun Biol, 6, 2023
3JD6
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BU of 3jd6 by Molmil
Double octamer structure of retinoschisin, a cell-cell adhesion protein of the retina
分子名称: Retinoschisin
著者Tolun, G, Vijayasarathy, C, Huang, R, Zeng, Y, Li, Y, Steven, A.C, Sieving, P.A, Heymann, J.B.
登録日2016-04-12
公開日2016-05-11
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Paired octamer rings of retinoschisin suggest a junctional model for cell-cell adhesion in the retina.
Proc.Natl.Acad.Sci.USA, 113, 2016
3KLK
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BU of 3klk by Molmil
Crystal structure of Lactobacillus reuteri N-terminally truncated glucansucrase GTF180 in triclinic apo- form
分子名称: CALCIUM ION, GLYCEROL, Glucansucrase
著者Vujicic-Zagar, A, Pijning, T, Kralj, S, Eeuwema, W, Dijkhuizen, L, Dijkstra, B.W.
登録日2009-11-08
公開日2010-11-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of a 117 kDa glucansucrase fragment provides insight into evolution and product specificity of GH70 enzymes
Proc.Natl.Acad.Sci.USA, 107, 2010
3J6Q
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Identification of the active sites in the methyltransferases of a transcribing dsRNA virus
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, Structural protein VP3
著者Zhu, B, Yang, C, Liu, H, Cheng, L, Song, F, Zeng, S, Huang, X, Ji, G, Zhu, P.
登録日2014-03-20
公開日2014-10-08
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Identification of the active sites in the methyltransferases of a transcribing dsRNA virus.
J.Mol.Biol., 426, 2014
1SM1
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BU of 1sm1 by Molmil
COMPLEX OF THE LARGE RIBOSOMAL SUBUNIT FROM DEINOCOCCUS RADIODURANS WITH QUINUPRISTIN AND DALFOPRISTIN
分子名称: 23S RIBOSOMAL RNA, 5-(2-DIETHYLAMINO-ETHANESULFONYL)-21-HYDROXY-10-ISOPROPYL-11,19-DIMETHYL-9,26-DIOXA-3,15,28-TRIAZA-TRICYCLO[23.2.1.00,255]OCTACOSA-1(27),12,17,19,25(28)-PENTAENE-2,8,14,23-TETRAONE, 50S RIBOSOMAL PROTEIN L11, ...
著者Harms, J.M, Schluenzen, F, Fucini, P, Bartels, H, Yonath, A.
登録日2004-03-08
公開日2004-08-03
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献Alterations at the Peptidyl Transferase Centre of the Ribosome Induced by the Synergistic Action of the Streptogramins Dalfopristin and Quinupristin.
Bmc Biol., 2, 2004
6W6D
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BU of 6w6d by Molmil
Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with SGC6870 inhibitor
分子名称: (5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE
著者Halabelian, L, Zeng, H, Dong, A, Jin, J, Shen, Y, Kaniskan, H.U, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2020-03-16
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献A First-in-Class, Highly Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 6.
J.Med.Chem., 64, 2021
5MI9
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Structure of the phosphomimetic mutant of the elongation factor EF-Tu T62E
分子名称: Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Talavera, A, Hendrix, J, Versees, W, De Gieter, S, Castro-Roa, D, Jurenas, D, Van Nerom, K, Vandenberk, N, Barth, A, De Greve, H, Hofkens, J, Zenkin, N, Loris, R, Garcia-Pino, A.
登録日2016-11-27
公開日2017-12-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Phosphorylation decelerates conformational dynamics in bacterial translation elongation factors.
Sci Adv, 4, 2018
3KCT
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CRYSTAL STRUCTURE OF PAmCherry1 in the photoactivated state
分子名称: PAmCherry1 protein
著者Malashkevich, V.N, Subach, F.V, Zencheck, W.D, Xiao, H, Filonov, G.S, Almo, S.C, Verkhusha, V.V.
登録日2009-10-21
公開日2009-11-17
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Photoactivation mechanism of PAmCherry based on crystal structures of the protein in the dark and fluorescent states.
Proc.Natl.Acad.Sci.USA, 106, 2009
5AH1
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Structure of EstA from Clostridium botulinum
分子名称: POTASSIUM ION, TRIACYLGLYCEROL LIPASE, ZINC ION
著者Pairitsch, A, Lyskowski, A, Hromic, A, Steinkellner, G, Gruber, K, Perz, V, Baumschlager, A, Bleymaier, K, Zitzenbacher, S, Sinkel, C, Kueper, U, Ribitsch, D, Guebitz, G.M.
登録日2015-02-04
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Hydrolysis of Synthetic Polyesters by Clostridium Botulinum Esterases.
Biotechnol.Bioeng., 113, 2016
6WAD
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BU of 6wad by Molmil
Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor
分子名称: 5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE
著者Halabelian, L, Zeng, H, Dong, A, Schapira, M, De Freitas, R.F, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2020-03-25
公開日2020-09-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor
to be published
1CNY
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BU of 1cny by Molmil
SECONDARY INTERACTIONS SIGNIFICANTLY REMOVED FROM THE SULFONAMIDE BINDING POCKET OF CARBONIC ANHYDRASE II INFLUENCE BINDING CONSTANTS
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE, ...
著者Boriack, P.A, Christianson, D.W.
登録日1995-07-21
公開日1995-11-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Secondary interactions significantly removed from the sulfonamide binding pocket of carbonic anhydrase II influence inhibitor binding constants.
J.Med.Chem., 38, 1995
6WAJ
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BU of 6waj by Molmil
Crystal structure of the UBL domain of human NLE1
分子名称: NLE1, UNKNOWN ATOM OR ION
著者Halabelian, L, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2020-03-25
公開日2020-04-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the UBL domain of human NLE1
To be Published
5MI8
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Structure of the phosphomimetic mutant of EF-Tu T383E
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, BETA-MERCAPTOETHANOL, ...
著者Talavera, A, Hendrix, J, Versees, W, De Gieter, S, Castro-Roa, D, Jurenas, D, Van Nerom, K, Vandenberk, N, Barth, A, De Greve, H, Hofkens, J, Zenkin, N, Loris, R, Garcia-Pino, A.
登録日2016-11-27
公開日2017-12-20
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Phosphorylation decelerates conformational dynamics in bacterial translation elongation factors.
Sci Adv, 4, 2018
5MCV
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BU of 5mcv by Molmil
New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-LWC1)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Cellular tumor antigen p53, ...
著者Golovenko, D, Rozenberg, H, Shakked, Z.
登録日2016-11-10
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins.
Structure, 26, 2018
3L08
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Structure of Pi3K gamma with a potent inhibitor: GSK2126458
分子名称: 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Elkins, P.A, Marrero, E.M.
登録日2009-12-09
公開日2010-06-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin.
ACS Med Chem Lett, 1, 2010

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