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5VGT
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BU of 5vgt by Molmil
X-ray structure of bacteriophage Sf6 tail adaptor protein gp7
分子名称: CALCIUM ION, Gene 7 protein, MAGNESIUM ION
著者Tang, L, Liang, L, Zhao, H.
登録日2017-04-11
公開日2017-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.776 Å)
主引用文献High-resolution structure of podovirus tail adaptor suggests repositioning of an octad motif that mediates the sequential tail assembly.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4R94
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BU of 4r94 by Molmil
Structure of the nickase domain of NS1 from MVM complexed with magnesium
分子名称: MAGNESIUM ION, Non-structural protein NS1
著者Liang, L, Zhao, H, Tang, L.
登録日2014-09-03
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.668 Å)
主引用文献Structures of minute virus of mice replication initiator protein N-terminal domain: Insights into DNA nicking and origin binding.
Virology, 476C, 2014
6OGN
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BU of 6ogn by Molmil
Crystal structure of mouse protein arginine methyltransferase 7 in complex with SGC8158 chemical probe
分子名称: 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine, Protein arginine N-methyltransferase 7, UNKNOWN ATOM OR ION, ...
著者Halabelian, L, Dong, A, Zeng, H, Li, Y, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2019-04-03
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pharmacological inhibition of PRMT7 links arginine monomethylation to the cellular stress response.
Nat Commun, 11, 2020
6P7I
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BU of 6p7i by Molmil
Crystal structure of Human PRMT6 in complex with S-Adenosyl-L-Homocysteine and YS17-117 Compound
分子名称: GLYCEROL, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide, ...
著者Halabelian, L, Dong, A, Zeng, H, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2019-06-05
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a First-in-Class Protein Arginine Methyltransferase 6 (PRMT6) Covalent Inhibitor
J.Med.Chem., 63, 2020
5WCJ
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BU of 5wcj by Molmil
Crystal Structure of Human Methyltransferase-like protein 13 in complex with SAH
分子名称: Methyltransferase-like protein 13, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION
著者Halabelian, L, Loppnau, P, Seitova, A, Hutchinson, A, Hunt, B, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2017-06-30
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The dual methyltransferase METTL13 targets N terminus and Lys55 of eEF1A and modulates codon-specific translation rates.
Nat Commun, 9, 2018
5GWN
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BU of 5gwn by Molmil
Crystal structure of human RCC2
分子名称: Protein RCC2, SULFATE ION
著者Liang, L, Yun, C.H, Yin, Y.X.
登録日2016-09-12
公開日2017-09-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.309 Å)
主引用文献RCC2 is a novel p53 target in suppressing metastasis.
Oncogene, 37, 2018
6W6D
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BU of 6w6d by Molmil
Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with SGC6870 inhibitor
分子名称: (5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE
著者Halabelian, L, Zeng, H, Dong, A, Jin, J, Shen, Y, Kaniskan, H.U, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2020-03-16
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献A First-in-Class, Highly Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 6.
J.Med.Chem., 64, 2021
6VYC
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BU of 6vyc by Molmil
Crystal structure of WD-repeat domain of human WDR91
分子名称: UNKNOWN ATOM OR ION, WD repeat-containing protein 91
著者Halabelian, L, Hutchinson, A, Li, Y, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2020-02-26
公開日2020-03-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
3RCI
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BU of 3rci by Molmil
Human cyclophilin D complexed with 5-methyl-1,2-oxazol-3-amine
分子名称: 5-methyl-1,2-oxazol-3-amine, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
登録日2011-03-31
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3RDD
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BU of 3rdd by Molmil
Human Cyclophilin A Complexed with an Inhibitor
分子名称: Peptidyl-prolyl cis-trans isomerase A, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate
著者Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
登録日2011-04-01
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3RCG
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BU of 3rcg by Molmil
Human cyclophilin D complexed with dimethylformamide
分子名称: CHLORIDE ION, DIMETHYLFORMAMIDE, Peptidyl-prolyl cis-trans isomerase F, ...
著者Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
登録日2011-03-31
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3R4G
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BU of 3r4g by Molmil
Human Cyclophilin D Complexed with a Fragment
分子名称: 4-sulfamoylbenzoic acid, GLYCEROL, Peptidyl-prolyl cis-trans isomerase F, ...
著者Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
登録日2011-03-17
公開日2012-03-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3R57
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BU of 3r57 by Molmil
Human Cyclophilin D Complexed with a Fragment
分子名称: GLYCEROL, N-(3-aminophenyl)acetamide, Peptidyl-prolyl cis-trans isomerase F, ...
著者Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
登録日2011-03-18
公開日2012-03-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3RCF
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BU of 3rcf by Molmil
Human cyclophilin D complexed with N-[(4-aminophenyl)sulfonyl]benzamide
分子名称: N-[(4-aminophenyl)sulfonyl]benzamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
登録日2011-03-31
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3R56
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Human Cyclophilin D Complexed with a Fragment
分子名称: 1H-indazol-6-amine, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Peptidyl-prolyl cis-trans isomerase F, ...
著者Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
登録日2011-03-18
公開日2012-03-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3RCL
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BU of 3rcl by Molmil
Human Cyclophilin D Complexed with a Fragment
分子名称: 3-(1,3-oxazol-5-yl)aniline, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ...
著者Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
登録日2011-03-31
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3R49
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BU of 3r49 by Molmil
Human cyclophilin D complexed with quinolin-8-amine
分子名称: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, quinolin-8-amine
著者Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
登録日2011-03-17
公開日2012-03-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3RD9
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BU of 3rd9 by Molmil
Human Cyclophilin D Complexed with a Fragment
分子名称: 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, Peptidyl-prolyl cis-trans isomerase F, ...
著者Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
登録日2011-04-01
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3R59
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Human Cyclophilin D Complexed with a Fragment
分子名称: 1-(3-aminophenyl)ethanone, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
登録日2011-03-18
公開日2012-03-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3RDA
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BU of 3rda by Molmil
Human Cyclophilin D Complexed with a Fragment
分子名称: 3-methyl-1,2-oxazol-5-amine, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
登録日2011-04-01
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3RDB
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BU of 3rdb by Molmil
Human Cyclophilin D Complexed with a Fragment
分子名称: 3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ...
著者Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
登録日2011-04-01
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3R54
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Human Cyclophilin D Complexed with a Fragment
分子名称: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, pyrrolidine-1-carbaldehyde
著者Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
登録日2011-03-18
公開日2012-03-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3RCK
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BU of 3rck by Molmil
Human Cyclophilin D Complexed with a Fragment
分子名称: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, piperazine-1-carbaldehyde
著者Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
登録日2011-03-31
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
4J58
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BU of 4j58 by Molmil
Human Cyclophilin D Complexed with an Inhibitor
分子名称: 1-(4-aminobenzyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase F, ...
著者Colliandre, L, Gelin, M, Bessin, Y, Guichou, J.F.
登録日2013-02-08
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
4J5A
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Human Cyclophilin D Complexed with an Inhibitor
分子名称: 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase F, ...
著者Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F.
登録日2013-02-08
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Rationnal Design of small-molecule inhibitors of human Cyclophilins and HCV replication.
to be published

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件を2024-07-17に公開中

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