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6ZUZ
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BU of 6zuz by Molmil
TFIIS N-terminal domain (TND) from human Elongin-A
分子名称: Elongin-A
著者Veverka, V.
登録日2020-07-23
公開日2021-12-01
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A ubiquitous disordered protein interaction module orchestrates transcription elongation.
Science, 374, 2021
6ZV4
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BU of 6zv4 by Molmil
Human TFIIS N-terminal domain in complex with IWS1
分子名称: Transcription elongation factor A protein 1,Protein IWS1 homolog
著者Veverka, V.
登録日2020-07-23
公開日2021-12-01
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A ubiquitous disordered protein interaction module orchestrates transcription elongation.
Science, 374, 2021
6ZV0
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BU of 6zv0 by Molmil
TFIIS N-terminal domain (TND) from human LEDGF/p75
分子名称: PC4 and SFRS1-interacting protein
著者Veverka, V.
登録日2020-07-23
公開日2021-12-01
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A ubiquitous disordered protein interaction module orchestrates transcription elongation.
Science, 374, 2021
6ZUY
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BU of 6zuy by Molmil
Human TFIIS N-terminal domain (TND)
分子名称: Transcription elongation factor A protein 1
著者Veverka, V.
登録日2020-07-23
公開日2021-12-01
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A ubiquitous disordered protein interaction module orchestrates transcription elongation.
Science, 374, 2021
6OVN
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BU of 6ovn by Molmil
Crystal structure of the unliganded Clone 2 TCR
分子名称: Alpha chain Clone 2 TCR, Beta chain Clone 2 TCR, CHLORIDE ION, ...
著者Shahine, A, Rossjohn, J.
登録日2019-05-08
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A TCR beta-Chain Motif Biases toward Recognition of Human CD1 Proteins.
J Immunol., 203, 2019
2H73
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BU of 2h73 by Molmil
Crystal Structure of Thioredoxin Mutant D43E in Hexagonal (p61) Space Group
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin
著者Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
登録日2006-06-01
公開日2007-05-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Thioredoxin Mutant D43E in Hexagonal (p61) Space Group
To be Published
8P9Y
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BU of 8p9y by Molmil
SARS-CoV-2 S protein S:D614G mutant in 3-down with binding site of an entry inhibitor
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, SODIUM ION, ...
著者Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L.
登録日2023-06-06
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献C-2 Thiophenyl Tryptophan Trimers Inhibit Cellular Entry of SARS-CoV-2 through Interaction with the Viral Spike (S) Protein.
J.Med.Chem., 66, 2023
8P99
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BU of 8p99 by Molmil
SARS-CoV-2 S-protein:D614G mutant in 1-up conformation
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, Spike protein S1,Spike glycoprotein
著者Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L.
登録日2023-06-05
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献C-2 Thiophenyl Tryptophan Trimers Inhibit Cellular Entry of SARS-CoV-2 through Interaction with the Viral Spike (S) Protein.
J.Med.Chem., 66, 2023
8PAS
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BU of 8pas by Molmil
Crystal structure of MAP4K1 with a SMOL inhibitor
分子名称: 4-[2,6-bis(fluoranyl)-4-(3-morpholin-4-ylpropylcarbamoylamino)phenoxy]-~{N}-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1~{H}-pyrrolo[2,3-b]pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
著者Friberg, A.
登録日2023-06-08
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
8PAR
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BU of 8par by Molmil
Crystal structure of human MAP4K1 with an inhibitor, BAY-405
分子名称: GLYCEROL, Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[3,5-bis(fluoranyl)-4-[[3-[1-(trifluoromethyl)cyclopropyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-2,9-dioxa-4-azaspiro[5.5]undec-3-en-3-amine
著者Schaefer, M.
登録日2023-06-08
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
6GFT
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BU of 6gft by Molmil
Antinociceptive evaluation of cyriotoxin-1a, the first toxin purified from Cyriopagopus schioedtei spider venom
分子名称: cyriotoxin-1a
著者Kurz, M.
登録日2018-05-02
公開日2019-03-06
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献From identification to functional characterization of cyriotoxin-1a, an antinociceptive toxin from the spider Cyriopagopus schioedtei.
Br.J.Pharmacol., 176, 2019
4LXZ
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BU of 4lxz by Molmil
Structure of Human HDAC2 in complex with SAHA (vorinostat)
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Histone deacetylase 2, ...
著者Fong, R, Lupardus, P.J.
登録日2013-07-30
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability.
J.Biol.Chem., 288, 2013
5MXA
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BU of 5mxa by Molmil
Structure of unbound Interleukin-23
分子名称: Interleukin-12 subunit beta, Interleukin-23 subunit alpha, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Bloch, Y, Savvides, S.N.
登録日2017-01-22
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structural Activation of Pro-inflammatory Human Cytokine IL-23 by Cognate IL-23 Receptor Enables Recruitment of the Shared Receptor IL-12R beta 1.
Immunity, 48, 2018
5MLL
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BU of 5mll by Molmil
Structure of HpDprA at 1.9 Angstroms resolution
分子名称: 1,2-ETHANEDIOL, DNA processing chain A (DprA)
著者Lisboa, J, Quevillon-Cheruel, S.
登録日2016-12-07
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The C-terminal domain of HpDprA is a DNA-binding Winged Helix domain that does not bind double-stranded DNA.
FEBS J., 2019
5MZV
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BU of 5mzv by Molmil
IL-23:IL-23R:Nb22E11 complex
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, CHLORIDE ION, ...
著者Bloch, Y, Savvides, S.N.
登録日2017-02-01
公開日2018-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Activation of Pro-inflammatory Human Cytokine IL-23 by Cognate IL-23 Receptor Enables Recruitment of the Shared Receptor IL-12R beta 1.
Immunity, 48, 2018
5N2K
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BU of 5n2k by Molmil
Structure of unbound Briakinumab FAb
分子名称: 1,2-ETHANEDIOL, Briakinumab FAb heavy chain, Briakinumab FAb light chain
著者Bloch, Y, Savvides, S.N.
登録日2017-02-07
公開日2018-01-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.219 Å)
主引用文献Structural Activation of Pro-inflammatory Human Cytokine IL-23 by Cognate IL-23 Receptor Enables Recruitment of the Shared Receptor IL-12R beta 1.
Immunity, 48, 2018
5H60
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BU of 5h60 by Molmil
Structure of Transferase mutant-C23S,C199S
分子名称: MANGANESE (II) ION, Transferase, URIDINE-5'-DIPHOSPHATE
著者Park, J.B, Yoo, Y, Kim, J.
登録日2016-11-10
公開日2017-12-20
最終更新日2018-10-31
実験手法X-RAY DIFFRACTION (3.64 Å)
主引用文献Structural basis for arginine glycosylation of host substrates by bacterial effector proteins.
Nat Commun, 9, 2018
5NJD
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BU of 5njd by Molmil
Structure of Interleukin 23 in complex with Briakinumab FAb
分子名称: Briakinumab FAb Heavy chain, Briakinumab FAb Light chain, Interleukin-12 subunit beta, ...
著者Bloch, Y, Savvides, S.N.
登録日2017-03-28
公開日2018-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Structural Activation of Pro-inflammatory Human Cytokine IL-23 by Cognate IL-23 Receptor Enables Recruitment of the Shared Receptor IL-12R beta 1.
Immunity, 48, 2018
5H61
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BU of 5h61 by Molmil
Structure of Transferase mutant-C23S,C199S
分子名称: Transferase
著者Park, J.B, Yoo, Y, Kim, J.
登録日2016-11-10
公開日2017-12-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural basis for arginine glycosylation of host substrates by bacterial effector proteins.
Nat Commun, 9, 2018
7ZT2
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BU of 7zt2 by Molmil
Structure of E8 TCR in complex with human MR1 bound to 5-OP-RU
分子名称: 1,2-ETHANEDIOL, 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, ...
著者Karuppiah, V, Srikannathasan, V, Robinson, R.A.
登録日2022-05-09
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT4
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BU of 7zt4 by Molmil
Structure of E8 TCR in complex with human MR1 bound to 6FP
分子名称: 2-azanyl-6-methyl-3~{H}-pteridin-4-one, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ...
著者Karuppiah, V, Robinson, R.A.
登録日2022-05-09
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT8
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BU of 7zt8 by Molmil
Structure of E8 TCR in complex in human MR1 bound to 3FBA
分子名称: 1,2-ETHANEDIOL, 3-methylbenzoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ...
著者Karuppiah, V, Srikannathasan, V, Robinson, R.A.
登録日2022-05-09
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT5
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BU of 7zt5 by Molmil
Structure of E8 TCR in complex in human MR1 bound to 3FSA
分子名称: 3-methanoyl-2-oxidanyl-benzoic acid, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ...
著者Karuppiah, V, Robinson, R.A.
登録日2022-05-09
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT9
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BU of 7zt9 by Molmil
Structure of E8 TCR in complex in human MR1 bound to 4FBA
分子名称: 1,2-ETHANEDIOL, 4-METHYLBENZOIC ACID, Beta-2-microglobulin, ...
著者Karuppiah, V, Srikannathasan, V, Robinson, R.A.
登録日2022-05-09
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
7ZT7
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BU of 7zt7 by Molmil
Structure of E8 TCR in complex in human MR1 bound to 5FSA
分子名称: 1,2-ETHANEDIOL, 2-hydroxy-5-methylbenzoic acid, Beta-2-microglobulin, ...
著者Karuppiah, V, Robinson, R.A.
登録日2022-05-09
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023

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