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4MJH
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BU of 4mjh by Molmil
Human Hsp27 core domain in complex with C-terminal peptide
分子名称: Heat shock protein beta-1
著者Laganowsky, A, Cascio, D, Sawaya, M.R, Eisenberg, D.
登録日2013-09-03
公開日2014-04-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献The structured core domain of alpha B-crystallin can prevent amyloid fibrillation and associated toxicity.
Proc.Natl.Acad.Sci.USA, 111, 2014
3RVF
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BU of 3rvf by Molmil
FXR with SRC1 and GSK2034
分子名称: 5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-2-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
著者Williams, S.P, Madauss, K.P.
登録日2011-05-06
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
4MKC
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BU of 4mkc by Molmil
Crystal Structure of Anaplastic Lymphoma Kinase Complexed with LDK378
分子名称: 5-chloro-N~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine, ALK tyrosine kinase receptor, GLYCEROL
著者Lee, C.C, Spraggon, G.
登録日2013-09-04
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The ALK Inhibitor Ceritinib Overcomes Crizotinib Resistance in Non-Small Cell Lung Cancer.
Cancer Discov, 4, 2014
3RYW
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BU of 3ryw by Molmil
Crystal structure of P. vivax geranylgeranyl diphosphate synthase complexed with BPH-811
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION, ...
著者No, J.H, Liu, Y.-L, Zhang, Y, Oldfield, E.
登録日2011-05-11
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
4N0J
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BU of 4n0j by Molmil
Crystal structure of dimethyllysine hen egg-white lysozyme in complex with sclx4 at 1.9 A resolution
分子名称: 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, CHLORIDE ION, GLYCEROL, ...
著者McGovern, R.E, Crowley, P.B.
登録日2013-10-02
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural study of a small molecule receptor bound to dimethyllysine in lysozyme.
Chem Sci, 6, 2015
3S1Z
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BU of 3s1z by Molmil
Crystal structure of acetamide bound Xanthomonas campestri OleA
分子名称: 3-oxoacyl-[ACP] synthase III, ACETAMIDE
著者Goblirsch, B.R, Wilmot, C.M.
登録日2011-05-16
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.0547 Å)
主引用文献Crystal Structures of Xanthomonas campestris OleA Reveal Features That Promote Head-to-Head Condensation of Two Long-Chain Fatty Acids.
Biochemistry, 51, 2012
3RUU
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BU of 3ruu by Molmil
FXR with SRC1 and GSK237
分子名称: 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
著者Williams, S.P, Madauss, K.P.
登録日2011-05-05
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
4N1U
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BU of 4n1u by Molmil
Structure of human MTH1 in complex with TH588
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, SULFATE ION
著者Berntsson, R.P.-A, Jemth, A, Gustafsson, R, Svensson, L.M, Helleday, T, Stenmark, P.
登録日2013-10-04
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool.
Nature, 508, 2014
3S2R
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BU of 3s2r by Molmil
ATChloroNEET (H87C mutant)
分子名称: AT5g51720/MIO24_14, FE2/S2 (INORGANIC) CLUSTER
著者livnah, O, Eisenberg-Domovich, Y, nechushtai, R.
登録日2011-05-17
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Arabidopsis thaliana ChloroNEET, a Member of the New NEET Family of Human Proteins, is Involved in Development, Senescence and Iron Metabolism.
To be Published
4MLX
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BU of 4mlx by Molmil
Structure of a bidentate 3-hydroxy-4H-pyran-4-thione ligand bound to hCAII
分子名称: 5-hydroxy-2-methyl-4H-pyran-4-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2013-09-06
公開日2014-07-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献'Unconventional' coordination chemistry by metal chelating fragments in a metalloprotein active site.
J.Am.Chem.Soc., 136, 2014
7KMR
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BU of 7kmr by Molmil
Crystal structure analysis of human KRAS mutant
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas
著者Seo, H.-S, Dhe-Paganon, S.
登録日2020-11-03
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
3S9O
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BU of 3s9o by Molmil
The Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase showing N-terminal interactions in cis
分子名称: CHLORIDE ION, Focal adhesion kinase 1, SODIUM ION
著者Arold, S.T.
登録日2011-06-01
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Conformational dynamics of the focal adhesion targeting domain control specific functions of focal adhesion kinase in cells.
J.Biol.Chem., 290, 2015
7L78
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BU of 7l78 by Molmil
H235C variant of Yeast Ferrochelatase
分子名称: CHOLIC ACID, Ferrochelatase, mitochondrial
著者Lanzilotta, W.N, Medlock, A.E.
登録日2020-12-27
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mitochondrial contact site and cristae organizing system (MICOS) machinery supports heme biosynthesis by enabling optimal performance of ferrochelatase.
Redox Biol, 46, 2021
3RUT
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BU of 3rut by Molmil
FXR with SRC1 and GSK359
分子名称: 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
著者Williams, S.P, Madauss, K.P.
登録日2011-05-05
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
3S4Q
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BU of 3s4q by Molmil
P38 alpha kinase complexed with a pyrazolo-triazine based inhibitor
分子名称: 3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2011-05-20
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery of pyrrolo[2,1-f][1,2,4]triazine C6-ketones as potent, orally active p38α MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
7L00
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BU of 7l00 by Molmil
Crystal Structure of C. difficile Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex with an Inhibitor
分子名称: Enoyl-Acyl Carrier Protein Reductase FabK, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Akhtar, A, Santarsiero, B.D, Hevener, K.E.
登録日2020-12-10
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal Structure of C. difficile Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex with an Inhibitor
To be published
3S2Q
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BU of 3s2q by Molmil
The crystal structure of AT5g51720 (AT-NEET)
分子名称: AT5g51720/MIO24_14, FE2/S2 (INORGANIC) CLUSTER, ZINC ION
著者Livnah, O, Eisenberg-Domovich, Y, Nechushtai, R.
登録日2011-05-17
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Arabidopsis thaliana ChloroNEET, a Member of the New NEET Family of Human Proteins, is Involved in Development, Senescence and Iron Metabolism.
To be Published
4L5I
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BU of 4l5i by Molmil
Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition
分子名称: Transcriptional regulator LsrR
著者Ryu, K.S, Ha, J.H, Eo, Y.
登録日2013-06-11
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
7LBJ
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BU of 7lbj by Molmil
Crystal structure of octaprenyl diphosphate synthase from Stenotrophomonas maltophilia
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Geranyltranstransferase
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-01-08
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of octaprenyl diphosphate synthase from Stenotrophomonas maltophilia
to be published
3TCL
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BU of 3tcl by Molmil
Crystal Structure of HIV-1 Neutralizing Antibody CH04
分子名称: CH04 Heavy Chain Fab, CH04 Light Chain Fab, IMIDAZOLE
著者Louder, R.K, McLellan, J.S, Pancera, M, Yang, Y, Zhang, B, Bonsignori, M, Kwong, P.D.
登録日2011-08-09
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.906 Å)
主引用文献Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
4LFD
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BU of 4lfd by Molmil
Staphylococcus aureus sortase B-substrate complex
分子名称: (CBZ)NPQ(B27) PEPTIDE, SULFATE ION, Sortase B
著者Jacobitz, A.W, Sawaya, M.R, Yi, S.W, Amer, B.R, Huang, G.L, Nguyen, A.V, Jung, M.E, Clubb, R.T.
登録日2013-06-26
公開日2014-02-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural and Computational Studies of the Staphylococcus aureus Sortase B-Substrate Complex Reveal a Substrate-stabilized Oxyanion Hole.
J.Biol.Chem., 289, 2014
6YWL
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BU of 6ywl by Molmil
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with ADP-ribose
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, ...
著者Schroeder, M, Ni, X, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC)
登録日2020-04-29
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
4L5Q
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BU of 4l5q by Molmil
Crystal structure of p202 HIN1
分子名称: Interferon-activable protein 202
著者Yin, Q, Tian, Y, Wu, H.
登録日2013-06-11
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Molecular Mechanism for p202-Mediated Specific Inhibition of AIM2 Inflammasome Activation.
Cell Rep, 4, 2013
7M05
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BU of 7m05 by Molmil
CryoEM structure of PRMT5 bound to covalent PBM-site inhibitor BRD-6988
分子名称: 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide, Methylosome protein 50, Protein arginine N-methyltransferase 5
著者McMillan, B.J, McKinney, D.C, Timm, D.E.
登録日2021-03-10
公開日2021-03-17
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (2.39 Å)
主引用文献Discovery of a First-in-Class Inhibitor of the PRMT5-Substrate Adaptor Interaction.
J.Med.Chem., 64, 2021
3SX5
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BU of 3sx5 by Molmil
Crystal structure of AABB+UDP+Gal with MPD as the cryoprotectant
分子名称: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
著者Johal, A.R, Evans, S.V.
登録日2011-07-14
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012

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