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PDB: 5587 件

4M1S
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Crystal Structure of small molecule vinylsulfonamide 13 covalently bound to K-Ras G12C
分子名称: GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-08-04
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.552 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4M29
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Structure of a GH39 Beta-xylosidase from Caulobacter crescentus
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-xylosidase
著者Polo, C.C, Santos, C.R, Correa, J.M, Simao, R.C.G, Seixas, F.A.V, Murakami, M.T.
登録日2013-08-05
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of a GH39 Beta-xylosidase from Caulobacter crescentus
Thesis
4M7I
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Crystal Structure of GSK6157 Bound to PERK (R587-R1092, delete A660-T867) at 2.34A Resolution
分子名称: 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3
著者Gampe, R.T, Axten, J.M.
登録日2013-08-12
公開日2014-09-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Discovery of 5-{4-fluoro-1-[(6-methyl-2-pyridinyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2656157), a Potent and Selective PERK Inhibitor Selected for Preclinical Development
To be Published
4LZD
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BU of 4lzd by Molmil
Human DNA polymerase mu- Apoenzyme
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DNA-directed DNA/RNA polymerase mu, ...
著者Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
登録日2013-07-31
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Sustained active site rigidity during synthesis by human DNA polymerase mu.
Nat.Struct.Mol.Biol., 21, 2014
4P5Y
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Structure of CBM32-3 from a family 31 glycoside hydrolase from Clostridium perfringens in complex with N-acetylgalactosamine
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, Glycosyl hydrolase, ...
著者Grondin, J.M, Allingham, J.S, Boraston, A.B, Smith, S.P.
登録日2014-03-04
公開日2015-10-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens.
PLoS ONE, 12, 2017
4PFM
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SHEWANELLA BENTHICA DHDPS WITH LYSINE AND PYRUVATE
分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, CITRATE ANION, GLYCEROL, ...
著者Wubben, J.M, Paxman, J.J, Dogovski, C, Panjikar, S, Perugini, M.A.
登録日2014-04-30
公開日2015-05-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.327 Å)
主引用文献Defining a Molecular Determinant of Lysine-Mediated Allosteric Inhibition of DHDPS.
To Be Published
4PQI
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Crystal structure of glutathione transferase lambda3 from Populus trichocarpa
分子名称: CALCIUM ION, GLUTATHIONE, In2-1 family protein, ...
著者Lallement, P.A, Meux, E, Gualberto, J.M, Prosper, P, Didierjean, C, Haouz, A, Saul, F, Rouhier, N, Hecker, A.
登録日2014-03-03
公開日2014-06-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and enzymatic insights into Lambda glutathione transferases from Populus trichocarpa, monomeric enzymes constituting an early divergent class specific to terrestrial plants.
Biochem.J., 462, 2014
1NJP
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The crystal structure of the 50S Large ribosomal subunit from Deinococcus radiodurans complexed with a tRNA acceptor stem mimic (ASM)
分子名称: 23S ribosomal RNA, 50S ribosomal protein L16, GENERAL STRESS PROTEIN CTC, ...
著者Bashan, A, Agmon, I, Zarivatch, R, Schluenzen, F, Harms, J.M, Berisio, R, Bartels, H, Hansen, H.A, Yonath, A.
登録日2003-01-02
公開日2003-02-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural basis of the ribosomal machinery for Peptide bond formation, translocation, and nascent chain progression
Mol.Cell, 11, 2003
1NIN
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PLASTOCYANIN FROM ANABAENA VARIABILIS, NMR, 20 STRUCTURES
分子名称: COPPER (II) ION, PLASTOCYANIN
著者Badsberg, U, Jorgensen, A.M.M, Gesmar, H, Led, J.J, Hammerstad-Petersen, J.M, Ulstrup, J.
登録日1996-03-13
公開日1996-10-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of reduced plastocyanin from the blue-green alga Anabaena variabilis.
Biochemistry, 35, 1996
7KEN
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BU of 7ken by Molmil
Protein Tyrosine Phosphatase 1B, D289A mutant, apo state
分子名称: Tyrosine-protein phosphatase non-receptor type 1
著者Fox, J.M, Hongdusit, A.
登録日2020-10-11
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Optogenetic Analysis of Allosteric Control in Protein Tyrosine Phosphatases.
Biochemistry, 60, 2021
1NJN
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The crystal structure of the 50S Large ribosomal subunit from Deinococcus radiodurans complexed with the antibiotic sparsomycin
分子名称: 23S ribosomal RNA, SPARSOMYCIN
著者Bashan, A, Agmon, I, Zarivatch, R, Schluenzen, F, Harms, J.M, Berisio, R, Bartels, H, Hansen, H.A, Yonath, A.
登録日2003-01-02
公開日2003-02-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structural basis of the ribosomal machinery for Peptide bond formation, translocation, and nascent chain progression
Mol.Cell, 11, 2003
7JY2
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BU of 7jy2 by Molmil
Z-DNA joint X-ray/Neutron
分子名称: Chains: A,B
著者Harp, J.M, Coates, L, Egli, M.
登録日2020-08-28
公開日2021-04-28
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
主引用文献Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography.
Nucleic Acids Res., 49, 2021
7K44
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SGBP-B from a complex xyloglucan utilization locus in Bacteroides uniformis
分子名称: CALCIUM ION, SGBP-B
著者Brumer, H, Van Petegem, F, Grondin, J.M.
登録日2020-09-14
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Cell Surface Xyloglucan Recognition and Hydrolysis by the Human Gut Commensal Bacteroides uniformis.
Appl.Environ.Microbiol., 88, 2022
7K9K
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BU of 7k9k by Molmil
SARS-CoV-2 Spike RBD in complex with neutralizing Fab 2H04 (local refinement)
分子名称: 2H04 heavy chain, 2H04 light chain, Spike protein S1, ...
著者Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-29
公開日2021-09-29
最終更新日2021-11-10
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD.
Cell Rep, 37, 2021
7K9H
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BU of 7k9h by Molmil
SARS-CoV-2 Spike in complex with neutralizing Fab 2B04 (one up, two down conformation)
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, 2B04 heavy chain, ...
著者Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-29
公開日2021-09-29
最終更新日2021-11-10
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD.
Cell Rep, 37, 2021
7K9I
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SARS-CoV-2 Spike RBD in complex with neutralizing Fab 2B04 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B04 heavy chain, 2B04 light chain, ...
著者Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-29
公開日2021-09-29
最終更新日2021-11-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD.
Cell Rep, 37, 2021
7K9J
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SARS-CoV-2 Spike in complex with neutralizing Fab 2H04 (three down conformation)
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, 2H04 heavy chain, ...
著者Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-29
公開日2021-09-29
最終更新日2021-11-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD.
Cell Rep, 37, 2021
7KDQ
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StigA15
分子名称: Stigmurin analog StigA15
著者Rodrigues, S.C.S, Araujo, R.M, Resende, J.M, Pedrosa, M.F.F.
登録日2020-10-09
公開日2021-10-13
実験手法SOLUTION NMR
主引用文献StigA15
To Be Published
2BSK
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BU of 2bsk by Molmil
Crystal structure of the TIM9 Tim10 hexameric complex
分子名称: MITOCHONDRIAL IMPORT INNER MEMBRANE TRANSLOCASE SUBUNIT TIM10, MITOCHONDRIAL IMPORT INNER MEMBRANE TRANSLOCASE SUBUNIT TIM9 A
著者Webb, C.T, Gorman, M.A, Lazarus, M, Ryan, M.T, Gulbis, J.M.
登録日2005-05-23
公開日2006-01-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal Structure of the Mitochondrial Chaperone Tim910 Reveals a Six-Bladed Alpha-Propeller.
Mol.Cell, 21, 2006
2BKT
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BU of 2bkt by Molmil
crystal structure of renin-pf00257567 complex
分子名称: 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-PHENYL}-6-(1,2,,3,4-TETRAHYDRO-QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-2-ONE, RENIN
著者Powell, N.A, Clay, E.H, Holsworth, D.D, Edmunds, J.J, Bryant, J.W, Ryan, J.M, Jalaie, M, Zhang, E.
登録日2005-02-18
公開日2006-04-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
7KVB
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Chimeric flavivirus between Binjari virus and Murray Valley encephalitis virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Matrix protein M
著者Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J.
登録日2020-11-27
公開日2020-12-23
最終更新日2021-07-14
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses.
Nat Commun, 12, 2021
2BKS
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BU of 2bks by Molmil
crystal structure of Renin-PF00074777 complex
分子名称: (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin
著者Powell, N.A, Clay, E.H, Holsworth, D.D, Edmunds, J.J, Bryant, J.W, Ryan, J.M, Jalaie, M, Zhang, E.
登録日2005-02-18
公開日2006-04-05
最終更新日2021-07-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
5T95
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Prephenate Dehydrogenase M219T, N222D mutant from Soybean
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prephenate dehydrogenase 1, TYROSINE
著者Holland, C.K, Jez, J.M.
登録日2016-09-09
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献Molecular basis of the evolution of alternative tyrosine biosynthetic routes in plants.
Nat. Chem. Biol., 13, 2017
5T9E
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Seleno-methionine Prephenate Dehydrogenase from Soybean
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prephenate dehydrogenase 1
著者Holland, C.K, Jez, J.M, Lee, S.G.
登録日2016-09-09
公開日2017-06-28
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Molecular basis of the evolution of alternative tyrosine biosynthetic routes in plants.
Nat. Chem. Biol., 13, 2017
5TE0
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BU of 5te0 by Molmil
Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120
分子名称: AP2-associated protein kinase 1, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Counago, R.M, Elkins, J.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2016-09-20
公開日2016-11-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120
To Be Published

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件を2024-07-17に公開中

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