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7L6R
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BU of 7l6r by Molmil
Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1), S-Adenosyl-L-homocysteine (SAH) and Manganese (Mn).
分子名称: 2'-O-methyltransferase, CHLORIDE ION, MANGANESE (II) ION, ...
著者Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-12-23
公開日2021-01-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Mn 2+ coordinates Cap-0-RNA to align substrates for efficient 2'- O -methyl transfer by SARS-CoV-2 nsp16.
Sci.Signal., 14, 2021
7L6T
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BU of 7l6t by Molmil
Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1), S-Adenosyl-L-homocysteine (SAH) and two Magnesium (Mg) ions.
分子名称: 2'-O-methyltransferase, CHLORIDE ION, FORMIC ACID, ...
著者Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-12-23
公開日2021-01-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Mn 2+ coordinates Cap-0-RNA to align substrates for efficient 2'- O -methyl transfer by SARS-CoV-2 nsp16.
Sci.Signal., 14, 2021
7KWE
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BU of 7kwe by Molmil
Crystal structure of the catalytic domain of human PDE3A bound to DNMDP
分子名称: (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one, ACETATE ION, MAGNESIUM ION, ...
著者Horner, S.W, Garvie, C.
登録日2020-11-30
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
7KGU
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BU of 7kgu by Molmil
Structure of 2Q1-Fab, an antibody selective for IDH2R140Q-HLA-B*07:02
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Miller, M.S, Aytenfisu, T.Y, Wright, K.M, Gabelli, S.B.
登録日2020-10-18
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
7L1J
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BU of 7l1j by Molmil
Mycobacterium tuberculosis dethiobiotin synthetase in complex with Tetrazole 1
分子名称: ATP-dependent dethiobiotin synthetase BioD, GLYCEROL, SULFATE ION, ...
著者Pederick, J.L, Bruning, J.B.
登録日2020-12-14
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Inhibition of Mycobacterium tuberculosis Dethiobiotin Synthase ( Mt DTBS): Toward Next-Generation Antituberculosis Agents.
Acs Chem.Biol., 16, 2021
7KFO
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BU of 7kfo by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Indole 3 acetic acid
分子名称: 1H-INDOL-3-YLACETIC ACID, SULFATE ION, Transcriptional regulator, ...
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-10-14
公開日2021-11-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7KFQ
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BU of 7kfq by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to 1H-Indole-3-Carboxylic Acid
分子名称: 1H-INDOLE-3-CARBOXYLIC ACID, SULFATE ION, Transcriptional regulator, ...
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-10-14
公開日2021-11-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7KFS
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BU of 7kfs by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Benzoic Acid
分子名称: BENZOIC ACID, SULFATE ION, Transcriptional regulator, ...
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-10-14
公開日2021-11-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7KJQ
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BU of 7kjq by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Picloram
分子名称: Picloram, SULFATE ION, Transcriptional regulator, ...
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-10-26
公開日2021-12-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7KH3
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BU of 7kh3 by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Indole 3 propionic acid
分子名称: INDOLYLPROPIONIC ACID, SULFATE ION, Transcriptional regulator, ...
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-10-19
公開日2021-12-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7KK0
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BU of 7kk0 by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Catechol
分子名称: CATECHOL, SULFATE ION, Transcriptional regulator, ...
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-10-27
公開日2021-12-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7KKC
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BU of 7kkc by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to 5-Hydroxyindoleacetic acid
分子名称: (5-hydroxy-1H-indol-3-yl)acetic acid, SULFATE ION, Transcriptional regulator, ...
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-10-27
公開日2021-12-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7KJL
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BU of 7kjl by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Salicylic acid
分子名称: 2-HYDROXYBENZOIC ACID, SULFATE ION, Transcriptional regulator, ...
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-10-26
公開日2021-12-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7KRH
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BU of 7krh by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus with S28A and R46A mutations
分子名称: SULFATE ION, Transcriptional regulator, MarR family
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-11-19
公開日2021-12-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7KKI
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BU of 7kki by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to 2,4-Dichlorophenoxyacetic acid
分子名称: (2,4-DICHLOROPHENOXY)ACETIC ACID, SULFATE ION, Transcriptional regulator, ...
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-10-27
公開日2021-12-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7KIG
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BU of 7kig by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Indole-3-butyric acid
分子名称: 3-INDOLEBUTYRIC ACID, SULFATE ION, Transcriptional regulator, ...
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-10-23
公開日2021-12-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7KYM
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BU of 7kym by Molmil
Crystal structure of the MarR family transcriptional regulator from Bradyrhizobium japonicum
分子名称: MarR family transcriptional regulator, PHOSPHATE ION
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-12-08
公開日2021-12-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
7JYY
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BU of 7jyy by Molmil
Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA)pUpUpApApA (Cap-0) and S-Adenosylmethionine (SAM).
分子名称: 2'-O-methyltransferase, CHLORIDE ION, FORMIC ACID, ...
著者Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-01
公開日2020-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Mn 2+ coordinates Cap-0-RNA to align substrates for efficient 2'- O -methyl transfer by SARS-CoV-2 nsp16.
Sci.Signal., 14, 2021
7M1Z
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BU of 7m1z by Molmil
Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor
分子名称: (R)-MEVALONATE, 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, ACETATE ION, ...
著者Bose, S, Steussy, C.N, Stauffacher, C.V.
登録日2021-03-15
公開日2022-09-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Targeting Enterococcus faecalis HMG-CoA reductase with a non-statin inhibitor
Nat Commun, 2023
7LRD
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BU of 7lrd by Molmil
Cryo-EM of the SLFN12-PDE3A complex: Consensus subset model
分子名称: (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Fuller, J.R, Garvie, C.W, Lemke, C.T.
登録日2021-02-16
公開日2021-06-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
7LRE
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BU of 7lre by Molmil
Cryo-EM of the SLFN12-PDE3A complex: SLFN12 body refinement
分子名称: Schlafen family member 12, ZINC ION
著者Fuller, J.R, Garvie, C.W, Lemke, C.T.
登録日2021-02-16
公開日2021-06-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
7LRC
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BU of 7lrc by Molmil
Cryo-EM of the SLFN12-PDE3A complex: PDE3A body refinement
分子名称: (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Fuller, J.R, Garvie, C.W, Lemke, C.T.
登録日2021-02-16
公開日2021-06-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
7LAD
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BU of 7lad by Molmil
Clobetasol propionate bound to CYP3A5
分子名称: Clobetasol propionate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE
著者Buchman, C.D, Miller, D, Wang, J, Jayaraman, S, Chen, T.
登録日2021-01-06
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Unraveling the Structural Basis of Selective Inhibition of Human Cytochrome P450 3A5.
J.Am.Chem.Soc., 143, 2021
7JWL
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BU of 7jwl by Molmil
Crystal Structure of Pseudomonas aeruginosa Penicillin Binding Protein 3 (PAE-PBP3) bound to ETX0462
分子名称: CHLORIDE ION, ETX0462 (Bound form), Peptidoglycan D,D-transpeptidase FtsI
著者Mayclin, S.J, Abendroth, J, Horanyi, P.S, Sylvester, M, Wu, X, Shapiro, A, Moussa, S, Durand-Reville, T.F.
登録日2020-08-25
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rational design of a new antibiotic class for drug-resistant infections.
Nature, 597, 2021
7JOM
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BU of 7jom by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with TO-317
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, Hdac6 protein, ...
著者Watson, P.R, Christianson, D.W.
登録日2020-08-06
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Unique Molecular Interaction with the Histone Deacetylase 6 Catalytic Tunnel: Crystallographic and Biological Characterization of a Model Chemotype.
J.Med.Chem., 64, 2021

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件を2024-07-17に公開中

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