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6KLE
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BU of 6kle by Molmil
Monomeric structure of Machupo virus polymerase bound to vRNA promoter
分子名称: MANGANESE (II) ION, RNA (5'-R(*GP*CP*CP*UP*AP*GP*GP*AP*UP*CP*CP*AP*CP*UP*GP*UP*GP*CP*G)-3'), RNA-directed RNA polymerase L, ...
著者Peng, R, Xu, X, Jing, J, Peng, Q, Gao, G.F, Shi, Y.
登録日2019-07-30
公開日2020-03-18
最終更新日2021-12-08
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural insight into arenavirus replication machinery.
Nature, 579, 2020
6KLH
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BU of 6klh by Molmil
Dimeric structure of Machupo virus polymerase bound to vRNA promoter
分子名称: MANGANESE (II) ION, RNA (5'-R(*GP*CP*CP*UP*AP*GP*GP*AP*UP*CP*CP*AP*CP*UP*GP*UP*GP*CP*G)-3'), RNA-directed RNA polymerase L, ...
著者Peng, R, Xu, X, Jing, J, Peng, Q, Gao, G.F, Shi, Y.
登録日2019-07-30
公開日2020-03-18
最終更新日2021-12-08
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural insight into arenavirus replication machinery.
Nature, 579, 2020
6KLC
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BU of 6klc by Molmil
Structure of apo Lassa virus polymerase
分子名称: MANGANESE (II) ION, RNA-directed RNA polymerase L
著者Peng, R, Xu, X, Jing, J, Peng, Q, Gao, G.F, Shi, Y.
登録日2019-07-30
公開日2020-03-18
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural insight into arenavirus replication machinery.
Nature, 579, 2020
6PX7
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BU of 6px7 by Molmil
Dg12a in Weaponisation 'on the fly': Convergent recruitment of knottin and defensin scaffolds as neurotoxins in the venom of assassin fly Dolopus genitalis (Diptera: Asilidae)
分子名称: Venom polypeptide
著者Agwa, A.J, Schroeder, C.
登録日2019-07-25
公開日2020-01-22
最終更新日2020-02-05
実験手法SOLUTION NMR
主引用文献Weaponisation 'on the fly': Convergent recruitment of knottin and defensin peptide scaffolds into the venom of predatory assassin flies.
Insect Biochem.Mol.Biol., 118, 2019
6PX8
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BU of 6px8 by Molmil
Dg3b in Weaponisation 'on the fly': Convergent recruitment of knottin and defensin scaffolds as neurotoxins in the venom of assassin fly Dolopus genitalis (Diptera: Asilidae)
分子名称: Venom polypeptide
著者Agwa, A.J, Schroeder, C.
登録日2019-07-25
公開日2020-01-22
最終更新日2020-02-05
実験手法SOLUTION NMR
主引用文献Weaponisation 'on the fly': Convergent recruitment of knottin and defensin peptide scaffolds into the venom of predatory assassin flies.
Insect Biochem.Mol.Biol., 118, 2019
5G4C
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BU of 5g4c by Molmil
Human SIRT2 catalyse short chain fatty acyl lysine
分子名称: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2, SIRT2, ...
著者Wang, Y.
登録日2016-05-09
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献SIRT2 Reverses 4-Oxononanoyl Lysine Modification on Histones.
J. Am. Chem. Soc., 138, 2016
8HN9
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BU of 8hn9 by Molmil
Human SIRT3 Recognizing CCNE2K348la peptide
分子名称: CCNE2 peptide, IMIDAZOLE, NAD-dependent protein deacetylase sirtuin-3, ...
著者Wang, Y, Ding, W.
登録日2022-12-07
公開日2023-05-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献SIRT3-dependent delactylation of cyclin E2 prevents hepatocellular carcinoma growth.
Embo Rep., 24, 2023
7T7L
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BU of 7t7l by Molmil
Structure of human G9a SET-domain (EHMT2) in complex with covalent inhibitor (Compound 1)
分子名称: Histone-lysine N-methyltransferase EHMT2, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide, ...
著者Park, K.-S, Kumar, P.
登録日2021-12-15
公開日2022-07-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of the First-in-Class G9a/GLP Covalent Inhibitors.
J.Med.Chem., 65, 2022
7T7M
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BU of 7t7m by Molmil
Structure of human GLP SET-domain (EHMT1) in complex with covalent inhibitor (Compound 1)
分子名称: Histone-lysine N-methyltransferase EHMT1, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide, ...
著者Park, K.-S, Kumar, P.
登録日2021-12-15
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Discovery of the First-in-Class G9a/GLP Covalent Inhibitors.
J.Med.Chem., 65, 2022
5V2N
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BU of 5v2n by Molmil
Crystal Structure of APO Human SETD8
分子名称: 1,2-ETHANEDIOL, N-lysine methyltransferase KMT5A
著者Skene, R.J.
登録日2017-03-05
公開日2018-03-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
4QQN
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BU of 4qqn by Molmil
Protein arginine methyltransferase 3 in complex with compound MTV044246
分子名称: 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, CHLORIDE ION, GLYCEROL, ...
著者Dong, A, Dobrovetsky, E, Tempel, W, He, H, Zhao, K, Smil, D, Landon, M, Luo, X, Chen, Z, Dai, M, Yu, Z, Lin, Y, Zhang, H, Zhao, K, Schapira, M, Brown, P.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2014-06-27
公開日2014-09-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3).
J. Med. Chem., 61, 2018
8UGT
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BU of 8ugt by Molmil
E. eligens beta-glucuronidase bound to UNC10206581-G
分子名称: 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(methylamino)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline, Beta-glucuronidase, GLYCEROL, ...
著者Simpson, J.B, Redinbo, M.R.
登録日2023-10-06
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Advanced piperazine-containing inhibitors target microbial beta-glucuronidases linked to gut toxicity
Rsc Chem Biol, 2024
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
4R0S
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BU of 4r0s by Molmil
Crystal structure of P. aeruginosa TpbA
分子名称: GLYCEROL, PHOSPHATE ION, Protein tyrosine phosphatase TpbA
著者Xu, K, Li, S, Wang, Y, Bartlam, M.
登録日2014-08-01
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural and Biochemical Analysis of Tyrosine Phosphatase Related to Biofilm Formation A (TpbA) from the Opportunistic Pathogen Pseudomonas aeruginosa PAO1
PLoS ONE, 10, 2015
5CZK
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BU of 5czk by Molmil
Structure of E. coli beta-glucuronidase bound with a novel, potent inhibitor 1-((6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea
分子名称: 1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea, Beta-glucuronidase
著者Roberts, A.R, Wallace, B.R, Redinbo, M.R.
登録日2015-07-31
公開日2015-10-14
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
5D8Z
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BU of 5d8z by Molmil
Structrue of a lucidum protein
分子名称: beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, endoglucanase
著者Guo, R, Li, Q, Shang, N, Liu, G, Ko, T.P, Chen, C.C, Liu, W.
登録日2015-08-18
公開日2016-06-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Functional and structural analyses of a 1,4-beta-endoglucanase from Ganoderma lucidum.
Enzyme.Microb.Technol., 86, 2016
4IL1
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BU of 4il1 by Molmil
Crystal Structure of the Rat Calcineurin
分子名称: CALCIUM ION, Calmodulin, Calcineurin subunit B type 1, ...
著者Ye, Q, Faucher, F, Jia, Z.
登録日2012-12-28
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis of calcineurin activation by calmodulin.
Cell Signal, 25, 2013
6JOM
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BU of 6jom by Molmil
Crystal structure of lipoate protein ligase from Mycoplasma hyopneumoniae
分子名称: 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, Lipoate--protein ligase
著者Zhang, H, Chen, H, Ma, G.
登録日2019-03-22
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Functional Identification and Structural Analysis of a New Lipoate Protein Ligase inMycoplasma hyopneumoniae.
Front Cell Infect Microbiol, 10, 2020
6I8L
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BU of 6i8l by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor TD001851a
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine, ...
著者Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2018-11-20
公開日2018-12-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
6I8B
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Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn
分子名称: 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ...
著者Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2018-11-19
公開日2018-12-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
4X3O
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Sirt2 in complex with a myristoyl peptide
分子名称: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ...
著者Wang, Y, Zhang, W.Z, Hao, Q.
登録日2014-12-01
公開日2016-01-13
最終更新日2022-04-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Deacylation Mechanism by SIRT2 Revealed in the 1'-SH-2'-O-Myristoyl Intermediate Structure.
Cell Chem Biol, 24, 2017
4X3P
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BU of 4x3p by Molmil
Sirt2 in complex with a myristoyl peptide
分子名称: 1,2-ETHANEDIOL, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-dependent protein deacetylase sirtuin-2, ...
著者Wang, Y, Zhang, W, Hao, Q.
登録日2014-12-01
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Deacylation Mechanism by SIRT2 Revealed in the 1'-SH-2'-O-Myristoyl Intermediate Structure.
Cell Chem Biol, 24, 2017
6I8Y
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BU of 6i8y by Molmil
Crystal structure of Spindlin1 in complex with the Methyltransferase inhibitor A366
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, ...
著者Srikannathasan, V, Johansson, C, Gileadi, C, Shrestha, L, Sorrell, F.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2018-11-21
公開日2018-12-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
7FH0
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BU of 7fh0 by Molmil
Crystallographic structure of two neutralizing nanobodies in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
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Zheng, P, Jin, J.
登録日2021-07-28
公開日2022-08-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Hetero-bivalent nanobodies provide broad-spectrum protection against SARS-CoV-2 variants of concern including Omicron.
Cell Res., 32, 2022
7Q2J
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BU of 7q2j by Molmil
Quaternary Complex of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC Homer
分子名称: Elongin-B, Elongin-C, N-[5-[4-[[5-[[(2S)-3,3-dimethyl-1-[(2S,4R)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide, ...
著者Kraemer, A, Doelle, A, Schwalm, M.P, Adhikari, B, Wolf, E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-10-25
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023

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