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4AT4
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CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH EX429
分子名称: 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea, BDNF/NT-3 GROWTH FACTORS RECEPTOR
著者Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M.
登録日2012-05-03
公開日2012-08-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
4AZF
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Human DYRK2 in complex with Leucettine L41
分子名称: 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DYRK2 DUAL-SPECIFICITY TYROSINE-PHOSPHORYLATION REGULATED KINASE 2, ...
著者Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S.
登録日2012-06-25
公開日2012-09-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B.
J.Med.Chem., 55, 2012
3H5K
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BU of 3h5k by Molmil
Crystal structure of the ribosome inactivating protein PDL1
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Ribosome-inactivating protein PD-L1/PD-L2
著者Ruggiero, A, Di Maro, A, Severino, V, Chambery, A, Berisio, R.
登録日2009-04-22
公開日2009-10-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of PD-L1, a ribosome inactivating protein from Phytolacca dioica L. Leaves with the property to induce DNA cleavage
Biopolymers, 91, 2009
9ED4
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A composite map of mTORC1-Rag-Ragultor-4EBP1 on membrane
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Eukaryotic translation initiation factor 4E-binding protein 1, GTP-binding protein Rheb, ...
著者Cui, Z, Hurley, J.
登録日2024-11-15
公開日2025-09-10
最終更新日2025-10-01
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Structural basis for mTORC1 activation on the lysosomal membrane.
Nature, 2025
4N4T
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Co-crystal structure of tankyrase 1 with compound 3 [(4S)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one]
分子名称: (4S)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one, Tankyrase-1, ZINC ION
著者Huang, X.
登録日2013-10-08
公開日2013-12-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.315 Å)
主引用文献Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors.
ACS Med Chem Lett, 4, 2013
4HUT
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Structure of ATP:co(I)rrinoid adenosyltransferase (CobA) from Salmonella enterica in complex with four and five-coordinate cob(II)alamin and ATP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, ...
著者Moore, T.C, Newmister, S.A, Rayment, I, Escalante-Semerena, J.C.
登録日2012-11-04
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Insights into the Mechanism of Four-Coordinate Cob(II)alamin Formation in the Active Site of the Salmonella enterica ATP:Co(I)rrinoid Adenosyltransferase Enzyme: Critical Role of Residues Phe91 and Trp93.
Biochemistry, 51, 2012
4N6Y
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Pim1 Complexed with a phenylcarboxamide
分子名称: 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1
著者Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
登録日2013-10-14
公開日2013-11-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
6BV9
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Structure of proteinaceous RNase P 1 (PRORP1) from A. thaliana after overnight soak with juglone
分子名称: 5-hydroxynaphthalene-1,4-dione, CHLORIDE ION, Proteinaceous RNase P 1, ...
著者Karasik, A, Wu, N, Fierke, C.A, Koutmos, M.
登録日2017-12-12
公開日2019-06-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibition of protein-only RNase P with Gambogic acid and Juglone
To Be Published
8OXD
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Structure of the human LYVE-1 (lymphatic vessel endothelial receptor-1) hyaluronan binding domain bound with decasaccharide hyaluronan.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, Lymphatic vessel endothelial hyaluronic acid receptor 1
著者Ni, T, Banerji, N, Jackson, D.J, Gilbert, R.J.C.
登録日2023-05-01
公開日2024-11-13
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Structure of the murine LYVE-1 (lymphatic vessel endothelial receptor-1) hyaluronan binding domain in an unliganded state
Nature Communications, 2025
9N3N
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Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 3
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
著者Whittington, D.A.
登録日2025-01-31
公開日2025-03-12
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion.
J.Med.Chem., 68, 2025
9N3O
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Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 14
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
著者Whittington, D.A.
登録日2025-01-31
公開日2025-03-12
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion.
J.Med.Chem., 68, 2025
6BZ3
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BU of 6bz3 by Molmil
Complex structure of FAK FAT domain and DCC P3 motif
分子名称: CALCIUM ION, Focal adhesion kinase 1, Netrin receptor DCC
著者Xu, S, Wang, J.-H.
登録日2017-12-22
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献The binding of DCC-P3 motif and FAK-FAT domain mediates the initial step of netrin-1/DCC signaling for axon attraction.
Cell Discov, 4, 2018
1KYX
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BU of 1kyx by Molmil
Lumazine Synthase from S.pombe bound to carboxyethyllumazine
分子名称: 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID, 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
4ZSA
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BU of 4zsa by Molmil
Crystal structure of FGFR1 kinase domain in complex with 7n
分子名称: 4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-2H-indazol-3-yl]benzamide, Fibroblast growth factor receptor 1
著者Liu, Q.F, Xu, Y.C.
登録日2015-05-13
公開日2015-06-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, synthesis and biological evaluation of novel FGFR inhibitors bearing an indazole scaffold.
Org.Biomol.Chem., 13, 2015
5G4S
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BU of 5g4s by Molmil
BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-dimethyl-6-2R-2- methylpiperazin-1-yl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl-N- ethyl-2-methoxybenzamide
分子名称: 1,2-ETHANEDIOL, N-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-N-ethyl-2-methoxy-benzamide, PEREGRIN
著者Chung, C.
登録日2016-05-16
公開日2016-07-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Gsk6853, a Chemical Probe for Inhibition of the Brpf1 Bromodomain.
Acs Med.Chem.Lett., 7, 2016
3BMX
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Beta-N-hexosaminidase (YbbD) from Bacillus subtilis
分子名称: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, ACETATE ION, SODIUM ION, ...
著者Fischer, S.
登録日2007-12-13
公開日2008-12-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and kinetic analysis of Bacillus subtilis N-acetylglucosaminidase reveals a unique Asp-His dyad mechanism
J.Biol.Chem., 285, 2010
7V0T
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Local refinement of Band 3-I cytoplasmic domains, class 1 of erythrocyte ankyrin-1 complex
分子名称: Band 3 anion transport protein
著者Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
登録日2022-05-11
公開日2022-07-20
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
4NP1
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NITROPHORIN 1 COMPLEX WITH NITRIC OXIDE
分子名称: NITRIC OXIDE, NITROPHORIN 1, PHOSPHATE ION, ...
著者Weichsel, A, Andersen, J.F, Walker, F.A, Montfort, W.R.
登録日1998-06-26
公開日1998-11-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Nitric Oxide Binding to the Ferri-and Ferroheme States of Nitrophorin 1, a Reversible No-Binding Heme Protein from the Saliva of the Blood-Sucking Insect, Rhodnius Prolixus
To be Published
7V0Y
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Local refinement of Band 3-III cytoplasmic domains, class 1 of erythrocyte ankyrin-1 complex
分子名称: Band 3 anion transport protein
著者Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
登録日2022-05-11
公開日2022-07-20
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
1OM0
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crystal structure of xylanase inhibitor protein (XIP-I) from wheat
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Xylanase Inhibitor Protein I
著者Payan, F, Flatman, R, Porciero, S, Williamson, G, Juge, N, Roussel, A.
登録日2003-02-24
公開日2003-06-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of xylanase inhibitor protein I (XIP-I), a proteinaceous xylanase inhibitor from wheat (Triticum aestivum, var. Soisson).
Biochem.J., 372, 2003
8UWA
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VH1-18 QxxV class antibody 09-1B12 bound to A/Perth/16/2009 H3N2 hemagglutinin
分子名称: 09-1B12 heavy chain, 09-1B12 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Maurer, D.P.
登録日2023-11-06
公開日2024-05-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (4.02 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
7V0U
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Local refinement of Band 3-II cytoplasmic domains, class 1 of erythrocyte ankyrin-1 complex
分子名称: Band 3 anion transport protein
著者Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
登録日2022-05-11
公開日2022-07-20
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
6SHJ
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Escherichia coli AGPase in complex with FBP. Symmetry applied C2
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase
著者Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E.
登録日2019-08-07
公開日2020-02-05
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM.
Curr Res Struct Biol, 2, 2020
5VE7
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Crystal structure of UTP-glucose-1-phosphate uridylyltransferase from Burkholderia ambifaria in complex with UTP
分子名称: URIDINE 5'-TRIPHOSPHATE, UTP--glucose-1-phosphate uridylyltransferase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-04-04
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of UTP-glucose-1-phosphate uridylyltransferase from Burkholderia ambifaria in complex with UTP
TO BE PUBLISHED
2IU8
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Chlamydia trachomatis LpxD with 25mM UDPGlcNAc (Complex I)
分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, PALMITIC ACID, ...
著者Buetow, L, Smith, T.K, Dawson, A, Fyffe, S, Hunter, W.N.
登録日2006-05-30
公開日2007-02-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Reactivity of Lpxd, the N-Acyltransferase of Lipid a Biosynthesis
Proc.Natl.Acad.Sci.USA, 104, 2007

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