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7V2W
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BU of 7v2w by Molmil
protomer structure from the dimer of yeast THO complex
分子名称: Protein TEX1, THO complex subunit 2, THO complex subunit HPR1, ...
著者Chen, C, Tan, M, Wu, Z, Wu, J, Lei, M.
登録日2021-08-10
公開日2022-07-27
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural and functional insights into R-loop prevention and mRNA export by budding yeast THO-Sub2 complex.
Sci Bull (Beijing), 66, 2021
6KE2
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BU of 6ke2 by Molmil
ABloop reengineered Ferritin Nanocage
分子名称: CALCIUM ION, CHLORIDE ION, FE (III) ION, ...
著者Wang, W.M, Wang, H.F.
登録日2019-07-03
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献AB loop engineered ferritin nanocages for drug loading under benign experimental conditions.
Chem.Commun.(Camb.), 55, 2019
7XSV
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BU of 7xsv by Molmil
Crystal Structures of PIM1 in Complex with Macrocyclic Compound H3
分子名称: 8-Methyl-2,5,20-trioxa-8,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene, Serine/threonine-protein kinase pim-1
著者Shen, C, Xie, Y, Ren, X, Zhou, Y, Niu, H.
登録日2022-05-15
公開日2022-07-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Design, synthesis, and bioactivity evaluation of macrocyclic benzo[b]pyrido[4,3-e][1,4]oxazine derivatives as novel Pim-1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 72, 2022
6BOJ
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BU of 6boj by Molmil
Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN5004
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-{[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide, CHLORIDE ION, ...
著者Fox III, D, Fairman, J.W, Gurney, M.E.
登録日2017-11-20
公開日2018-08-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Memory enhancing effects of BPN14770, an allosteric inhibitor of phosphodiesterase-4D, in wild-type and humanized mice.
Neuropsychopharmacology, 43, 2018
1D2R
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BU of 1d2r by Molmil
2.9 A CRYSTAL STRUCTURE OF LIGAND-FREE TRYPTOPHANYL-TRNA SYNTHETASE: DOMAIN MOVEMENTS FRAGMENT THE ADENINE NUCLEOTIDE BINDING SITE.
分子名称: PROTEIN (TRYPTOPHANYL TRNA SYNTHETASE)
著者Ilyin, V.A, Carter Jr, C.W.
登録日1999-09-27
公開日2000-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献2.9 A crystal structure of ligand-free tryptophanyl-tRNA synthetase: domain movements fragment the adenine nucleotide binding site.
Protein Sci., 9, 2000
3HC4
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BU of 3hc4 by Molmil
BHA10 IgG1 Fab quadruple mutant variant - antibody directed at human LTBR
分子名称: ACETATE ION, IMMUNOGLOBULIN IGG1 FAB, HEAVY CHAIN, ...
著者Arndt, J.W, Jordan, J.L, Lugovskoy, A, Wang, D.
登録日2009-05-05
公開日2009-08-04
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structural understanding of stabilization patterns in engineered bispecific Ig-like antibody molecules
Proteins, 77, 2009
3G7D
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BU of 3g7d by Molmil
Native PhpD with Cadmium Atoms
分子名称: CADMIUM ION, PhpD
著者Nair, S.K.
登録日2009-02-09
公開日2009-06-09
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An unusual carbon-carbon bond cleavage reaction during phosphinothricin biosynthesis.
Nature, 459, 2009
5KVT
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BU of 5kvt by Molmil
THE STRUCTURE OF TRKA KINASE DOMAIN BOUND TO THE INHIBITOR ENTRECTINIB
分子名称: Entrectinib, GLYCEROL, High affinity nerve growth factor receptor
著者Jin, L, Yan, S, Wei, G, Li, G, Harris, J, Vernier, J.-M.
登録日2016-07-15
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Antitumor Activity and Safety of the Pan-TRK, ROS1, and ALK inhibitor Entrectinib (RXDX-101): Combined Results from Two Phase I Trials
To Be Published
3GBF
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BU of 3gbf by Molmil
Phpd with cadmium complexed with hydroethylphosphonate (HEP)
分子名称: (2-hydroxyethyl)phosphonic acid, CADMIUM ION, PhpD
著者Zhang, H, Nair, S.K.
登録日2009-02-19
公開日2009-06-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献An Unusual Carbon-Carbon Bond Cleavage Reaction in the Biosynthesis of the Herbicide Phosphinothricin
To be Published
3TG6
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BU of 3tg6 by Molmil
Crystal Structure of Influenza A Virus nucleoprotein with Ligand
分子名称: Nucleocapsid protein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-chloropyridin-3-yl)-5-methyl-1,2-oxazol-4-yl]methanone
著者Pearce, B.C, Lewis, H.A, McDonnell, P.A, Steinbacher, S, Kiefersauer, R, Mortl, M, Maskos, K, Edavettal, S, Baldwin, E.T, Langley, D.R.
登録日2011-08-17
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Biophysical and Structural Characterization of a Novel Class of Influenza Virus Inhibitors
To be Published
3HC0
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BU of 3hc0 by Molmil
BHA10 IgG1 wild-type Fab - antibody directed at human LTBR
分子名称: ACETATE ION, IMMUNOGLOBULIN IGG1 FAB, HEAVY CHAIN, ...
著者Arndt, J.W, Jordan, J.L, Lugovskoy, A, Wang, D.
登録日2009-05-05
公開日2009-08-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural understanding of stabilization patterns in engineered bispecific Ig-like antibody molecules
Proteins, 77, 2009
3HC3
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BU of 3hc3 by Molmil
BHA10 IgG1 Fab double mutant variant - antibody directed at human LTBR
分子名称: ACETATE ION, IMMUNOGLOBULIN IGG1 FAB, HEAVY CHAIN, ...
著者Arndt, J.W, Jordan, J.L, Lugovskoy, A, Wang, D.
登録日2009-05-05
公開日2009-08-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural understanding of stabilization patterns in engineered bispecific Ig-like antibody molecules
Proteins, 77, 2009
1GH2
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BU of 1gh2 by Molmil
Crystal structure of the catalytic domain of a new human thioredoxin-like protein
分子名称: THIOREDOXIN-LIKE PROTEIN
著者Jin, J, Chen, X, Guo, Q, Yuan, J, Qiang, B, Rao, Z.
登録日2000-11-01
公開日2001-05-01
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure of the catalytic domain of a human thioredoxin-like protein.
Eur.J.Biochem., 269, 2002
7KVZ
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BU of 7kvz by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-2
分子名称: (2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.J.
登録日2020-11-29
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
3LPI
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BU of 3lpi by Molmil
Structure of BACE Bound to SCH745132
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C, Cumming, J.
登録日2010-02-05
公開日2010-04-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
3LPK
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BU of 3lpk by Molmil
Structure of BACE Bound to SCH747123
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
著者Strickland, C, Cumming, J.
登録日2010-02-05
公開日2010-04-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
3LNK
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BU of 3lnk by Molmil
Structure of BACE bound to SCH743813
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Orth, P, Cumming, J.
登録日2010-02-02
公開日2010-04-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
3LPJ
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BU of 3lpj by Molmil
Structure of BACE Bound to SCH743641
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C, Cumming, J.
登録日2010-02-05
公開日2010-04-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
5CHL
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BU of 5chl by Molmil
Structural basis of H2A.Z recognition by YL1 histone chaperone component of SRCAP/SWR1 chromatin remodeling complex
分子名称: Histone H2A.Z, Vacuolar protein sorting-associated protein 72 homolog
著者Shan, S, Liang, X, Pan, L, Wu, C, Zhou, Z.
登録日2015-07-10
公開日2016-03-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献Structural basis of H2A.Z recognition by SRCAP chromatin-remodeling subunit YL1
Nat.Struct.Mol.Biol., 23, 2016
7KW1
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BU of 7kw1 by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3
分子名称: (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.
登録日2020-11-29
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
7KVX
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BU of 7kvx by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN 1
分子名称: (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.
登録日2020-11-29
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
5H48
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BU of 5h48 by Molmil
Crystal structure of Cbln1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1
著者Zhong, C, Shen, J, Zhang, H, Ding, J.
登録日2016-10-31
公開日2017-09-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
5H4C
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BU of 5h4c by Molmil
Crystal structure of Cbln4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein Cbln4
著者Zhong, C, Shen, J, Zhang, H, Ding, J.
登録日2016-10-31
公開日2017-09-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
5H49
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BU of 5h49 by Molmil
Crystal structure of Cbln1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1
著者Zhong, C, Shen, J, Zhang, H, Ding, J.
登録日2016-10-31
公開日2017-09-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
4P46
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BU of 4p46 by Molmil
J809.B5 Y31A TCR bound to IAb3K
分子名称: 3K Peptide,H-2 class II histocompatibility antigen, A beta chain, H-2 class II histocompatibility antigen, ...
著者Stadinski, B.D, Huseby, E.S, Trenh, P, Stern, L.J.
登録日2014-03-11
公開日2014-05-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.851 Å)
主引用文献Effect of CDR3 Sequences and Distal V Gene Residues in Regulating TCR-MHC Contacts and Ligand Specificity.
J Immunol., 192, 2014

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