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5EMN
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BU of 5emn by Molmil
Crystal Structure of Human NADPH-Cytochrome P450 Reductase(A287P mutant)
分子名称: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Xia, C, Marohnic, C, Panda, S, Masters, B.S, Kim, J.J.K.
登録日2015-11-06
公開日2016-08-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Instability of the Human Cytochrome P450 Reductase A287P Variant Is the Major Contributor to Its Antley-Bixler Syndrome-like Phenotype.
J.Biol.Chem., 291, 2016
7UV0
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BU of 7uv0 by Molmil
Structure of the sodium/iodide symporter (NIS) in complex with iodide and sodium
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, IODIDE ION, SODIUM ION, ...
著者Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N.
登録日2022-04-29
公開日2022-12-21
最終更新日2023-01-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into the mechanism of the sodium/iodide symporter.
Nature, 612, 2022
6VRF
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BU of 6vrf by Molmil
ADP bound TTBK2 kinase domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Chodaparambil, J.V, Marcotte, D.J.
登録日2020-02-07
公開日2020-06-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanisms of Regulation and Diverse Activities of Tau-Tubulin Kinase (TTBK) Isoforms.
Cell Mol Neurobiol, 41, 2021
8GEO
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BU of 8geo by Molmil
E. eligens beta-glucuronidase bound to 3-OH-desloratidine-glucuronide
分子名称: 8-chloro-11-(1-beta-D-glucopyranuronosylpiperidin-4-ylidene)-3-hydroxy-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine, Beta-glucuronidase, GLYCEROL
著者Simpson, J.B, Redinbo, M.R.
登録日2023-03-07
公開日2024-03-20
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
4I07
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BU of 4i07 by Molmil
Structure of mature form of cathepsin B1 from Schistosoma mansoni
分子名称: ACETATE ION, CHLORIDE ION, Cathepsin B-like peptidase (C01 family)
著者Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M.
登録日2012-11-16
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Activation route of the Schistosoma mansoni cathepsin B1 drug target: structural map with a glycosaminoglycan switch
Structure, 22, 2014
7CU5
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BU of 7cu5 by Molmil
N-Glycosylation of PD-1 and glycosylation dependent binding of PD-1 specific monoclonal antibody camrelizumab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Programmed cell death protein 1, ...
著者Liu, K.F, Tan, S.G, Jin, W.J, Guan, J.W, Wang, W.L, Sun, H, Qi, J.X, Yan, J.H, Chai, Y, Wang, Z.F, Chu, X.D, Gao, G.F.
登録日2020-08-21
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献N-glycosylation of PD-1 promotes binding of camrelizumab.
Embo Rep., 21, 2020
6VVY
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BU of 6vvy by Molmil
Mycobacterium tuberculosis WT RNAP transcription open promoter complex with Sorangicin
分子名称: DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A.
登録日2020-02-18
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
8GER
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BU of 8ger by Molmil
E. eligens beta-glucuronidase bound to norquetiapine-glucuronide
分子名称: 11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine, Beta-glucuronidase
著者Simpson, J.B, Lietzan, A.D, Redinbo, M.R.
登録日2023-03-07
公開日2024-03-20
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
7UVR
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BU of 7uvr by Molmil
Crystal structure of human ClpP protease in complex with TR-65
分子名称: 3-{[(10R)-4-[(4-chlorophenyl)methyl]-5-oxo-1,2,4,5,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]methyl}benzonitrile, ATP-dependent Clp protease proteolytic subunit, mitochondrial
著者Mabanglo, M.F, Houry, W.A.
登録日2022-05-02
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome.
Structure, 31, 2023
4I3Q
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BU of 4i3q by Molmil
Crystal structure of human CYP3A4 coordinated to a water molecule
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F, Poulos, T.L.
登録日2012-11-26
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Pyridine-Substituted Desoxyritonavir Is a More Potent Inhibitor of Cytochrome P450 3A4 than Ritonavir.
J.Med.Chem., 56, 2013
5UZJ
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BU of 5uzj by Molmil
Crystal Structure of ROCK1 bound to an aminopyridine inhibitor
分子名称: N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide, Rho-associated protein kinase 1
著者Jacobs, M.D.
登録日2017-02-26
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
7UVU
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BU of 7uvu by Molmil
Crystal structure of human ClpP protease in complex with TR-107
分子名称: 3-({3-[(4-chlorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile, ATP-dependent Clp protease proteolytic subunit, mitochondrial
著者Mabanglo, M.F, Houry, W.A.
登録日2022-05-02
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome.
Structure, 31, 2023
7CV4
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BU of 7cv4 by Molmil
Quadruplex-duplex hybrid structure in the PIM1 gene, Form 2
分子名称: DNA (26-MER)
著者Winnerdy, F.R, Tan, D.T.J, Lim, K.W, Phan, A.T.
登録日2020-08-25
公開日2020-10-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Coexistence of two quadruplex-duplex hybrids in the PIM1 gene.
Nucleic Acids Res., 48, 2020
5EGC
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BU of 5egc by Molmil
Structure of the Adeno-Associated Virus Serotype 1 sialic acid complex
分子名称: Capsid protein, MAGNESIUM ION, N-acetyl-alpha-neuraminic acid
著者Huang, L.Y, Agbandje-McKenna, M.
登録日2015-10-27
公開日2016-03-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.011 Å)
主引用文献Characterization of the Adeno-Associated Virus 1 and 6 Sialic Acid Binding Site.
J.Virol., 90, 2016
7TXC
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BU of 7txc by Molmil
HIC2 zinc finger domain in complex with the DNA binding motif-2 of the BCL11A enhancer
分子名称: DNA (5'-D(*AP*CP*TP*GP*TP*TP*GP*GP*CP*AP*TP*TP*AP*TP*CP*T)-3'), DNA (5'-D(*AP*GP*AP*TP*AP*AP*TP*GP*CP*CP*AP*AP*CP*AP*GP*T)-3'), Hypermethylated in cancer 2 protein, ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2022-02-08
公開日2022-06-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献HIC2 controls developmental hemoglobin switching by repressing BCL11A transcription.
Nat.Genet., 54, 2022
4JWC
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BU of 4jwc by Molmil
Crystal structure of the substrate binding domain of E.coli DnaK in complex with bovine Bac7(1-16)
分子名称: Cathelicidin-3, Chaperone protein DnaK, SULFATE ION
著者Zahn, M, Straeter, N.
登録日2013-03-27
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Identification of DnaK Binding Sites within Bovine and Sheep Bactenecin Bac7.
Protein Pept.Lett., 21, 2014
7U0C
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BU of 7u0c by Molmil
Crystal structure of broadly neutralizing antibody HEPC3.4
分子名称: HEPC3.4 Fab Heavy Chain, HEPC3.4 Fab Light Chain
著者Flyak, A.I, Bjorkman, P.J.
登録日2022-02-17
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Computational identification of HCV neutralizing antibodies with a common HCDR3 disulfide bond motif in the antibody repertoires of infected individuals.
Nat Commun, 13, 2022
4JVP
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BU of 4jvp by Molmil
Three dimensional structure of broadly neutralizing anti - Hepatitis C virus (HCV) glycoprotein E2 alpaca nanobody D03
分子名称: Anti-HCV E2 alpaca nanobody D03, SULFATE ION
著者Krey, T, Rey, F.A.
登録日2013-03-26
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献An alpaca nanobody inhibits hepatitis C virus entry and cell-to-cell transmission.
Hepatology, 58, 2013
7U0B
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BU of 7u0b by Molmil
Crystal structure of broadly neutralizing antibody HEPC3.1
分子名称: HEPC3.1 Fab Heavy Chain, HEPC3.1 Fab Light Chain
著者Flyak, A.I, Bjorkman, P.J.
登録日2022-02-17
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Computational identification of HCV neutralizing antibodies with a common HCDR3 disulfide bond motif in the antibody repertoires of infected individuals.
Nat Commun, 13, 2022
7U9S
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BU of 7u9s by Molmil
Crystal structure of human D-amino acid oxidase in complex with inhibitor
分子名称: 5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Skene, R.J, Bell, J.A.
登録日2022-03-11
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform.
J.Med.Chem., 65, 2022
7U9U
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BU of 7u9u by Molmil
Crystal structure of human D-amino acid oxidase in complex with inhibitor
分子名称: (3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile, BENZOIC ACID, D-amino-acid oxidase, ...
著者Skene, R.J, Bell, J.A.
登録日2022-03-11
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform.
J.Med.Chem., 65, 2022
4JL7
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BU of 4jl7 by Molmil
Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1
分子名称: CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1
著者Lu, G, Wu, Y, Jiang, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z.
登録日2013-03-12
公開日2013-10-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structural Insights into Neutrophilic Migration Revealed by the Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1.
Plos One, 8, 2013
5UFI
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BU of 5ufi by Molmil
DCN1 bound to DI-591
分子名称: DCN1-like protein 1, N-[(1S)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
著者Stuckey, J.
登録日2017-01-04
公開日2017-11-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献A potent small-molecule inhibitor of the DCN1-UBC12 interaction that selectively blocks cullin 3 neddylation.
Nat Commun, 8, 2017
8HVU
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Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF07304814
分子名称: 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Zeng, P, Zhang, J, Li, J.
登録日2022-12-28
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
8HVV
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Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF07304814
分子名称: 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Zeng, X.Y, Zhang, J, Li, J.
登録日2022-12-28
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023

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