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6XRY
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BU of 6xry by Molmil
Intrinsically disordered bacterial polar organizing protein Z, PopZ, interacts with protein binding partners through an N-terminal Molecular Recognition Feature
分子名称: Polar organizing protein Z
著者Nordyke, C.T, Ahmed, Y.M, Puterbaugh, R.Z, Bowman, G.R, Varga, K.
登録日2020-07-14
公開日2020-11-04
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Intrinsically Disordered Bacterial Polar Organizing Protein Z, PopZ, Interacts with Protein Binding Partners Through an N-terminal Molecular Recognition Feature.
J.Mol.Biol., 432, 2020
3QAZ
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BU of 3qaz by Molmil
IL-2 mutant D10 ternary complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, Interleukin-2, ...
著者Levin, A.M, Bates, D.L, Ring, A.M, Lin, J.T, Su, L, Krieg, C, Bowman, G.R, Novick, P, Pande, V.S, Khort, H.E, Boyman, O, Gathman, C.G, Garcia, K.C.
登録日2011-01-12
公開日2012-04-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.802 Å)
主引用文献Exploiting a natural conformational switch to engineer an interleukin-2 'superkine'
Nature, 484, 2012
3QB1
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BU of 3qb1 by Molmil
Interleukin-2 mutant D10
分子名称: Interleukin-2
著者Levin, A.M, Bates, D.L, Ring, A.M, Lin, J.T, Su, L, Krieg, C, Bowman, G.R, Novick, P, Pande, V.S, Khort, H.E, Boyman, O, Fathman, C.G, Garcia, K.C.
登録日2011-01-12
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Exploiting a natural conformational switch to engineer an interleukin-2 'superkine'
Nature, 484, 2012
5IUS
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BU of 5ius by Molmil
Crystal structure of human PD-L1 in complex with high affinity PD-1 mutant
分子名称: CHLORIDE ION, Programmed cell death 1 ligand 1, Programmed cell death protein 1
著者Pascolutti, R, Sun, X, Kao, J, Maute, R, Ring, A.M, Bowman, G.R, Kruse, A.C.
登録日2016-03-18
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.889 Å)
主引用文献Structure and Dynamics of PD-L1 and an Ultra-High-Affinity PD-1 Receptor Mutant.
Structure, 24, 2016
6B2N
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BU of 6b2n by Molmil
Crystal structure of TEM-1 beta-lactamase mutant M182N
分子名称: Beta-lactamase TEM, SULFATE ION
著者Jimah, J.R, Tolia, N.H.
登録日2017-09-20
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Prediction of New Stabilizing Mutations Based on Mechanistic Insights from Markov State Models.
ACS Cent Sci, 3, 2017
6C54
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BU of 6c54 by Molmil
Ebola nucleoprotein nucleocapsid-like assembly and the asymmetric unit
分子名称: Nucleoprotein
著者Su, Z, Wu, C, Pintilie, G.D, Chiu, W, Amarasinghe, G.K, Leung, D.W.
登録日2018-01-13
公開日2018-03-07
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献Electron Cryo-microscopy Structure of Ebola Virus Nucleoprotein Reveals a Mechanism for Nucleocapsid-like Assembly.
Cell, 172, 2018
6NTV
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BU of 6ntv by Molmil
SFTSV L endonuclease domain
分子名称: RNA polymerase
著者Wang, W, Amarasinghe, G.K.
登録日2019-01-30
公開日2020-01-08
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Cap-Snatching SFTSV Endonuclease Domain Is an Antiviral Target.
Cell Rep, 30, 2020
5KVH
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BU of 5kvh by Molmil
Crystal structure of human apoptosis-inducing factor with W196A mutation
分子名称: Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Brosey, C.A, Nix, J, Ellenberger, T, Tainer, J.A.
登録日2016-07-14
公開日2016-11-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.273 Å)
主引用文献Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor.
Structure, 24, 2016
5KVI
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BU of 5kvi by Molmil
Crystal structure of monomeric human apoptosis-inducing factor with E413A/R422A/R430A mutations
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Apoptosis-inducing factor 1, mitochondrial, ...
著者Brosey, C.A, Nix, J, Ellenberger, T, Tainer, J.A.
登録日2016-07-14
公開日2016-11-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor.
Structure, 24, 2016
8D3F
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BU of 8d3f by Molmil
Crystal structure of human STAT1 in complex with the repeat region from Toxoplasma protein TgIST
分子名称: Signal transducer and activator of transcription 1-alpha/beta,Inhibitor of STAT1-dependent transcription TgIST
著者Huang, Z, Liu, H, Nix, J.C, Amarasinghe, G.K, Sibley, L.D.
登録日2022-06-01
公開日2022-07-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献The intrinsically disordered protein TgIST from Toxoplasma gondii inhibits STAT1 signaling by blocking cofactor recruitment.
Nat Commun, 13, 2022
8DEZ
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BU of 8dez by Molmil
Abp2D Receptor Binding Domain ACICU
分子名称: Abp2D Receptor Binding Domain, CITRATE ANION, SULFATE ION
著者Tamadonfar, K.O, Pinkner, J.P, Dodson, K.W, Kalas, V, Hultgren, S.J.
登録日2022-06-21
公開日2023-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Structure-function correlates of fibrinogen binding by Acinetobacter adhesins critical in catheter-associated urinary tract infections.
Proc.Natl.Acad.Sci.USA, 120, 2023
8DF0
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BU of 8df0 by Molmil
Abp1D receptor binding domain
分子名称: Abp1D Receptor Binding Domain
著者Tamadonfar, K.O, Pinkner, J.S, Dodson, K.W, Hultgren, S.J.
登録日2022-06-21
公開日2023-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-function correlates of fibrinogen binding by Acinetobacter adhesins critical in catheter-associated urinary tract infections.
Proc.Natl.Acad.Sci.USA, 120, 2023
8DKA
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BU of 8dka by Molmil
Abp2D receptor binding domain R86E
分子名称: Abp2D Receptor Binding Domain R86E
著者Tamadonfar, K.O, Pinkner, J.S, Dodson, K.W, Hultgren, S.J.
登録日2022-07-05
公開日2023-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-function correlates of fibrinogen binding by Acinetobacter adhesins critical in catheter-associated urinary tract infections.
Proc.Natl.Acad.Sci.USA, 120, 2023
4GS7
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BU of 4gs7 by Molmil
Structure of the Interleukin-15 quaternary complex
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ring, A.M, Ozkan, E, Feng, D, Garcia, K.C.
登録日2012-08-27
公開日2012-11-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Mechanistic and structural insight into the functional dichotomy between IL-2 and IL-15.
Nat.Immunol., 13, 2012
6V8V
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BU of 6v8v by Molmil
Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-2
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-12
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V83
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BU of 6v83 by Molmil
Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-1
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-10
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V6G
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BU of 6v6g by Molmil
Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase
分子名称: Beta-lactamase, DI(HYDROXYETHYL)ETHER, SODIUM ION
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-05
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V6P
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BU of 6v6p by Molmil
Crystal structure of CTX-M-14 E166A/D240G beta-lactamase
分子名称: Beta-lactamase, DI(HYDROXYETHYL)ETHER, SULFATE ION
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-05
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V5E
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BU of 6v5e by Molmil
Crystal structure of CTX-M-14 P167S/D240G beta-lactamase
分子名称: Beta-lactamase
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-04
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V7T
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BU of 6v7t by Molmil
Crystal structure of CTX-M-14 E166A/D240G beta-lactamase in complex with ceftazidime
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-09
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
7GDL
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BU of 7gdl by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-83b26c96-15 (Mpro-x11041)
分子名称: 2-(3-chlorophenyl)-N-methyl-N-(4-methylpyridin-3-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.864 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GFV
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BU of 7gfv by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-2db6411e-2 (Mpro-x11852)
分子名称: 1-{4-[(3-chloro-5-hydroxyphenyl)methyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GDO
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BU of 7gdo by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-c0c213c9-14 (Mpro-x11164)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-(pyridin-3-yl)-N-[4-(pyridin-2-yl)phenyl]acetamide
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.756 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GG5
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BU of 7gg5 by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-87c86d55-1 (Mpro-x12143)
分子名称: 2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1,3-thiazol-4-yl)methyl]acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.509 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GE0
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BU of 7ge0 by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-6af13d92-2 (Mpro-x11276)
分子名称: 3C-like proteinase, 5-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023

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