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6KLC
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BU of 6klc by Molmil
Structure of apo Lassa virus polymerase
Descriptor: MANGANESE (II) ION, RNA-directed RNA polymerase L
Authors:Peng, R, Xu, X, Jing, J, Peng, Q, Gao, G.F, Shi, Y.
Deposit date:2019-07-30
Release date:2020-03-18
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insight into arenavirus replication machinery.
Nature, 579, 2020
6KLD
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BU of 6kld by Molmil
Structure of apo Machupo virus polymerase
Descriptor: MANGANESE (II) ION, RNA-directed RNA polymerase L, ZINC ION
Authors:Peng, R, Xu, X, Jing, J, Peng, Q, Gao, G.F, Shi, Y.
Deposit date:2019-07-30
Release date:2020-03-18
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Structural insight into arenavirus replication machinery.
Nature, 579, 2020
6KLE
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BU of 6kle by Molmil
Monomeric structure of Machupo virus polymerase bound to vRNA promoter
Descriptor: 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, ...
Authors:Peng, R, Xu, X, Jing, J, Peng, Q, Gao, G.F, Shi, Y.
Deposit date:2019-07-30
Release date:2020-03-18
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite: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
Descriptor: 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, ...
Authors:Peng, R, Xu, X, Jing, J, Peng, Q, Gao, G.F, Shi, Y.
Deposit date:2019-07-30
Release date:2020-03-18
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite: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)
Descriptor: Venom polypeptide
Authors:Agwa, A.J, Schroeder, C.
Deposit date:2019-07-25
Release date:2020-01-22
Last modified:2020-02-05
Method:SOLUTION NMR
Cite: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)
Descriptor: Venom polypeptide
Authors:Agwa, A.J, Schroeder, C.
Deposit date:2019-07-25
Release date:2020-01-22
Last modified:2020-02-05
Method:SOLUTION NMR
Cite: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
8HN9
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BU of 8hn9 by Molmil
Human SIRT3 Recognizing CCNE2K348la peptide
Descriptor: CCNE2 peptide, IMIDAZOLE, NAD-dependent protein deacetylase sirtuin-3, ...
Authors:Wang, Y, Ding, W.
Deposit date:2022-12-07
Release date:2023-05-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:SIRT3-dependent delactylation of cyclin E2 prevents hepatocellular carcinoma growth.
Embo Rep., 24, 2023
5G4C
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BU of 5g4c by Molmil
Human SIRT2 catalyse short chain fatty acyl lysine
Descriptor: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2, SIRT2, ...
Authors:Wang, Y.
Deposit date:2016-05-09
Release date:2017-05-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SIRT2 Reverses 4-Oxononanoyl Lysine Modification on Histones.
J. Am. Chem. Soc., 138, 2016
8C13
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BU of 8c13 by Molmil
Crystal structure of pVHL:ElonginC:ElonginB complex bound to PROTAC JW48
Descriptor: (2~{S},4~{R})-1-[(2~{S})-2-[3-[2-[2-[2-(acetamidomethyl)-4-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)phenoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Kraemer, A, Weckesser, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-12-20
Release date:2022-12-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023
5I77
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BU of 5i77 by Molmil
Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, Y.J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2016-02-17
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase
Biochem. Biophys. Res. Commun., 475, 2016
7S8O
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BU of 7s8o by Molmil
CryoEM structure of Gi-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573
Descriptor: (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
Deposit date:2021-09-18
Release date:2021-11-17
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7S8L
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BU of 7s8l by Molmil
CryoEM structure of Gq-coupled MRGPRX2 with peptide agonist Cortistatin-14
Descriptor: Cortistatin 14, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
Deposit date:2021-09-18
Release date:2021-11-17
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7S8P
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BU of 7s8p by Molmil
CryoEM structure of Gq-coupled MRGPRX4 with small molecule agonist MS47134
Descriptor: Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
Deposit date:2021-09-18
Release date:2021-11-17
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7S8M
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BU of 7s8m by Molmil
CryoEM structure of Gi-coupled MRGPRX2 with peptide agonist Cortistatin-14
Descriptor: Cortistatin 14, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
Deposit date:2021-09-18
Release date:2021-11-17
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7S8N
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BU of 7s8n by Molmil
CryoEM structure of Gq-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573
Descriptor: (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
Deposit date:2021-09-18
Release date:2021-11-17
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
4X3O
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BU of 4x3o by Molmil
Sirt2 in complex with a myristoyl peptide
Descriptor: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ...
Authors:Wang, Y, Zhang, W.Z, Hao, Q.
Deposit date:2014-12-01
Release date:2016-01-13
Last modified:2022-04-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Deacylation Mechanism by SIRT2 Revealed in the 1'-SH-2'-O-Myristoyl Intermediate Structure.
Cell Chem Biol, 24, 2017
5IE7
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BU of 5ie7 by Molmil
Crystal structure of a lactonase double mutant in complex with substrate b
Descriptor: (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
Authors:Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2016-02-25
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
5IE6
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BU of 5ie6 by Molmil
Crystal structure of a lactonase mutant in complex with substrate b
Descriptor: (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
Authors:Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2016-02-25
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
5IE5
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BU of 5ie5 by Molmil
Crystal structure of a lactonase double mutant in complex with substrate a
Descriptor: (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
Authors:Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2016-02-25
Release date:2017-01-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
5IE4
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BU of 5ie4 by Molmil
Crystal structure of a lactonase mutant in complex with substrate a
Descriptor: (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
Authors:Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2016-02-25
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
7T7L
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BU of 7t7l by Molmil
Structure of human G9a SET-domain (EHMT2) in complex with covalent inhibitor (Compound 1)
Descriptor: 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, ...
Authors:Park, K.-S, Kumar, P.
Deposit date:2021-12-15
Release date:2022-07-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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)
Descriptor: 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, ...
Authors:Park, K.-S, Kumar, P.
Deposit date:2021-12-15
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery of the First-in-Class G9a/GLP Covalent Inhibitors.
J.Med.Chem., 65, 2022
4QQN
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BU of 4qqn by Molmil
Protein arginine methyltransferase 3 in complex with compound MTV044246
Descriptor: 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, CHLORIDE ION, GLYCEROL, ...
Authors: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)
Deposit date:2014-06-27
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3).
J. Med. Chem., 61, 2018
7Q2J
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BU of 7q2j by Molmil
Quaternary Complex of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC Homer
Descriptor: 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, ...
Authors:Kraemer, A, Doelle, A, Schwalm, M.P, Adhikari, B, Wolf, E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-10-25
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023
8BB5
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BU of 8bb5 by Molmil
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with Aryl linker
Descriptor: 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ...
Authors:Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-10-12
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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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