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5MV8
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Structure of human Myosin 7b C-terminal MyTH4-FERM domain in complex with harmonin-a PDZ3 domain
分子名称: GLYCEROL, MAGNESIUM ION, Unconventional myosin-VIIb, ...
著者Yu, I, Sourigues, Y, Titus, M.A, Houdusse, A.
登録日2017-01-16
公開日2017-07-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Myosin 7 and its adaptors link cadherins to actin.
Nat Commun, 8, 2017
5MV9
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BU of 5mv9 by Molmil
Structure of human Myosin 7a C-terminal MyTH4-FERM domain in complex with harmonin-a PDZ3 domain
分子名称: ACETATE ION, Unconventional myosin-VIIa, cDNA FLJ51329, ...
著者Yu, I, Sourigues, Y, Titus, M.A, Houdusse, A.
登録日2017-01-16
公開日2017-07-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Myosin 7 and its adaptors link cadherins to actin.
Nat Commun, 8, 2017
4NQV
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BU of 4nqv by Molmil
Crystal Structure of HLA A*0101 in complex with NP44, an 9-mer influenza epitope
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-1 alpha chain, ...
著者Rossjohn, J, Gras, S.
登録日2013-11-25
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Preexisting CD8+ T-cell immunity to the H7N9 influenza A virus varies across ethnicities.
Proc.Natl.Acad.Sci.USA, 111, 2014
5MT4
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BU of 5mt4 by Molmil
COMPLEMENT FACTOR D IN COMPLEX WITH A REVERSIBLE BENZOIC ACID BASED INHIBITOR
分子名称: 2-[(phenylmethyl)carbamoylamino]benzoic acid, Complement factor D
著者Mac Sweeney, A, Ostermann, N.
登録日2017-01-06
公開日2017-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Based Library Design and Fragment Screening for the Identification of Reversible Complement Factor D Protease Inhibitors.
J. Med. Chem., 60, 2017
4J2P
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BU of 4j2p by Molmil
Crystal structure of LuxF from Photobacterium leiognathi
分子名称: Non-fluorescent flavoprotein
著者Winkler, A, Macheroux, P, Gruber, K.
登録日2013-02-05
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and biochemical properties of LuxF from Photobacterium leiognathi.
Biochim. Biophys. Acta, 1854, 2015
4O58
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BU of 4o58 by Molmil
Crystal structure of broadly neutralizing antibody F045-092 in complex with A/Victoria/3/1975 (H3N2) influenza hemagglutinin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Lee, P.S, Wilson, I.A.
登録日2013-12-19
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7501 Å)
主引用文献Receptor mimicry by antibody F045-092 facilitates universal binding to the H3 subtype of influenza virus.
Nat Commun, 5, 2014
5MSJ
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BU of 5msj by Molmil
Mouse PA28alpha
分子名称: Proteasome activator complex subunit 1
著者Huber, E.M, Groll, M.
登録日2017-01-05
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The Mammalian Proteasome Activator PA28 Forms an Asymmetric alpha 4 beta 3 Complex.
Structure, 25, 2017
4O1G
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MTB adenosine kinase in complex with gamma-Thio-ATP
分子名称: Adenosine kinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SODIUM ION
著者Dostal, J, Brynda, J, Hocek, M, Pichova, I.
登録日2013-12-15
公開日2014-11-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides
J.Med.Chem., 57, 2014
4O1S
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BU of 4o1s by Molmil
Crystal structure of TvoVMA intein
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION, ...
著者Aranko, A.S, Oeemig, J.S, Zhou, D, Kajander, T, Wlodawer, A, Iwai, H.
登録日2013-12-16
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7008 Å)
主引用文献Structure-based engineering and comparison of novel split inteins for protein ligation.
Mol Biosyst, 10, 2014
4IPS
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BU of 4ips by Molmil
Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121
分子名称: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazin-2-one, Cytochrome P450 121, GLYCEROL, ...
著者Fonvielle, M, LeDu, M.H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P.
登録日2013-01-10
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES.
J.Biol.Chem., 288, 2013
4IGF
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BU of 4igf by Molmil
Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 3-(4-Chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one
分子名称: 3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one, Enoyl-acyl carrier reductase, GLYCEROL, ...
著者Kostrewa, D, Perozzo, R.
登録日2012-12-17
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, Synthesis, and Biological and Crystallographic Evaluation of Novel Inhibitors of Plasmodium falciparum Enoyl-ACP-reductase (PfFabI)
J.Med.Chem., 56, 2013
4IPW
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BU of 4ipw by Molmil
Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121
分子名称: (3S,6S)-3-(3,4-dihydroxybenzyl)-6-(4-hydroxybenzyl)piperazine-2,5-dione, Cytochrome P450 121, GLYCEROL, ...
著者Fonvielle, M, Ledu, M.H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P.
登録日2013-01-10
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES.
J.Biol.Chem., 288, 2013
4IQ7
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BU of 4iq7 by Molmil
Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121
分子名称: (3S,6S)-3-(4-hydroxybenzyl)-6-methylpiperazine-2,5-dione, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Fonvielle, M, Ledu, M.H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P.
登録日2013-01-11
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES.
J.Biol.Chem., 288, 2013
4IQ9
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BU of 4iq9 by Molmil
Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121
分子名称: (3S,6S)-3-(4-hydroxybenzyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione, Cytochrome P450 121, GLYCEROL, ...
著者Fonvielle, M, Ledu, M.H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P.
登録日2013-01-11
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES.
J.Biol.Chem., 288, 2013
4M01
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BU of 4m01 by Molmil
N terminal fragment(residues 245-575) of binding region of SraP
分子名称: CALCIUM ION, GLYCEROL, Serine-rich adhesin for platelets
著者Yang, Y.H, Jiang, Y.L, Zhang, J, Wang, L, Chen, Y, Zhou, C.Z.
登録日2013-08-01
公開日2014-06-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Insights into SraP-Mediated Staphylococcus aureus Adhesion to Host Cells
Plos Pathog., 10, 2014
5NB7
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BU of 5nb7 by Molmil
Complement factor D
分子名称: 1-[2-[(1~{R},3~{S},5~{R})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide, Complement factor D, DIMETHYL SULFOXIDE
著者Mac Sweeney, A, Ostermann, N.
登録日2017-03-01
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
7ONU
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BU of 7onu by Molmil
Structure of human mitochondrial RNase P in complex with mitochondrial pre-tRNA-Tyr
分子名称: 3-hydroxyacyl-CoA dehydrogenase type-2, MAGNESIUM ION, Mitochondrial Precursor tRNA-Tyr, ...
著者Bhatta, A, Dienemann, C, Cramer, P, Hillen, H.S.
登録日2021-05-26
公開日2021-08-11
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of RNA processing by human mitochondrial RNase P.
Nat.Struct.Mol.Biol., 28, 2021
4LMN
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BU of 4lmn by Molmil
Crystal Structure of MEK1 kinase bound to GDC0973
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Ultsch, M.H.
登録日2013-07-10
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanism of MEK inhibition determines efficacy in mutant KRAS- versus BRAF-driven cancers.
Nature, 501, 2013
4JOA
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BU of 4joa by Molmil
Crystal Structure of Human Anaplastic Lymphoma Kinase in complex with 7-azaindole based inhibitor
分子名称: 3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, ALK tyrosine kinase receptor
著者Hosahalli, S, Krishnamurthy, N.R, Lakshminarasimhan, A.
登録日2013-03-18
公開日2013-07-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode
Bioorg.Med.Chem.Lett., 23, 2013
4LBB
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BU of 4lbb by Molmil
Crystal structure of human alpha-defensin 1 (HNP1) I20A mutant
分子名称: CHLORIDE ION, Neutrophil defensin 1
著者Tolbert, W.D, Wu, X, Pazgier, M.
登録日2013-06-20
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.719 Å)
主引用文献Single, Double and Quadruple Alanine Substitutions at Oligomeric Interfaces Identify Hydrophobicity as the Key Determinant of Human Neutrophil Alpha Defensin HNP1 Function.
Plos One, 8, 2013
4LK6
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BU of 4lk6 by Molmil
Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with Chlorophenol Red-b-D-galactopyranoside at 2.86 A Resolution
分子名称: 2-[(E)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid, CALCIUM ION, PA-I galactophilic lectin, ...
著者Kadam, R.U, Stocker, A, Reymond, J.L.
登録日2013-07-06
公開日2013-10-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.859 Å)
主引用文献CH-pi "T-Shape" Interaction with Histidine Explains Binding of Aromatic Galactosides to Pseudomonas aeruginosa Lectin LecA
Acs Chem.Biol., 8, 2013
5NAR
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BU of 5nar by Molmil
Complement factor D in complex with the inhibitor (S)-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
分子名称: (2~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D, SULFATE ION
著者Mac Sweeney, A, Ostermann, N.
登録日2017-02-28
公開日2017-06-28
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
5NAW
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BU of 5naw by Molmil
Complement factor D in complex with the inhibitor (1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-2,3-dicarboxylic acid 2-[(1-carbamoyl-1H-indol-3-yl)-amide] 3-[(3-trifluoromethoxy-phenyl)-amide]
分子名称: (1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide, Complement factor D
著者Mac Sweeney, A, Ostermann, N.
登録日2017-02-28
公開日2017-06-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
4JIN
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BU of 4jin by Molmil
X-ray crystal structure of Archaeoglobus fulgidus Rio1 bound to (2E)-N-benzyl-2-cyano-3-(pyridine-4-yl)acrylamide (WP1086)
分子名称: (2E)-N-benzyl-2-cyano-3-(pyridin-4-yl)prop-2-enamide, RIO-type serine/threonine-protein kinase Rio1
著者Mielecki, M, Krawiec, K, Kiburu, I, Grzelak, K, Wlodzimierz, Z, Kierdaszuk, B, Kowa, K, Fokt, I, Szymanski, S, Piotr, S, Szeja, W, Priebe, W, Lesyng, B, LaRonde-LeBlanc, N.
登録日2013-03-06
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献Development of novel molecular probes of the Rio1 atypical protein kinase.
Biochim.Biophys.Acta, 1834, 2013
4LB7
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Crystal structure of human alpha-defensin 1 (HNP1) Y16A/I20A/L25A/F28A mutant.
分子名称: Neutrophil defensin 1
著者Tolbert, W.D, Wu, X, Pazgier, M.
登録日2013-06-20
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Single, Double and Quadruple Alanine Substitutions at Oligomeric Interfaces Identify Hydrophobicity as the Key Determinant of Human Neutrophil Alpha Defensin HNP1 Function.
Plos One, 8, 2013

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