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6T1E
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Streptavidin variants harbouring an artificial organocatalyst based cofactor
分子名称: 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide, ACETATE ION, CHLORIDE ION, ...
著者Lechner, H, Hocker, B.
登録日2019-10-04
公開日2020-10-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host*.
Chembiochem, 22, 2021
6XB4
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BU of 6xb4 by Molmil
Structure of PrGV poxin in post-reactive state with Gp[2'-5']Ap[3']
分子名称: 2',5'-GpAp, Poxin
著者Eaglesham, J.B, McCarty, K.L, Kranzusch, P.J.
登録日2020-06-05
公開日2020-11-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of diverse poxin cGAMP nucleases reveal a widespread role for cGAS-STING evasion in host-pathogen conflict.
Elife, 9, 2020
6XMX
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Cryo-EM structure of BCL6 bound to BI-3802
分子名称: 2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide, B-cell lymphoma 6 protein
著者Yoon, H, Burman, S.S.R, Hunkeler, M, Nowak, R.P, Fischer, E.S.
登録日2020-07-01
公開日2020-11-25
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Small-molecule-induced polymerization triggers degradation of BCL6.
Nature, 588, 2020
6XPG
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BU of 6xpg by Molmil
Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus by Serial Crystallography
分子名称: Lysophospholipase L1
著者Kim, Y, Sherrell, D.A, Owen, R, Axford, D, Ebrahim, A, Johnson, J, Welk, L, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2020-07-08
公開日2020-07-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus by Serial Crystallography
To Be Published
6XY2
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Crystal structure of CTLA-4 complexed with the Fab of HL32 antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, Heavy chain, ...
著者Gao, H, Zhou, A.
登録日2020-01-29
公開日2020-12-09
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structure of CTLA-4 complexed with a pH-sensitive cancer immunotherapeutic antibody.
Cell Discov, 6, 2020
7LAS
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BU of 7las by Molmil
Cryo-EM structure of PCV2 Replicase bound to ssDNA
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent helicase Rep, DNA (5'-D(P*GP*AP*TP*CP*GP*AP*TP*CP*GP*A)-3'), ...
著者Khayat, R.
登録日2021-01-06
公開日2021-08-25
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Mechanism of DNA Interaction and Translocation by the Replicase of a Circular Rep-Encoding Single-Stranded DNA Virus.
Mbio, 12, 2021
7LAR
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Cryo-EM structure of PCV2 Replicase bound to ssDNA
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent helicase Rep, DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'), ...
著者Khayat, R.
登録日2021-01-06
公開日2021-08-25
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Mechanism of DNA Interaction and Translocation by the Replicase of a Circular Rep-Encoding Single-Stranded DNA Virus.
Mbio, 12, 2021
5W5Y
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BU of 5w5y by Molmil
RNA polymerase I Initial Transcribing Complex
分子名称: DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ...
著者Han, Y, He, Y.
登録日2017-06-16
公開日2017-07-26
最終更新日2019-11-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural mechanism of ATP-independent transcription initiation by RNA polymerase I.
Elife, 6, 2017
6XQU
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BU of 6xqu by Molmil
Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Boceprevir
分子名称: 3C-like proteinase, boceprevir (bound form)
著者Kneller, D.W, Kovalevsky, A, Coates, L.
登録日2020-07-10
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals.
Structure, 28, 2020
5W66
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BU of 5w66 by Molmil
RNA polymerase I Initial Transcribing Complex State 3
分子名称: DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ...
著者Han, Y, He, Y.
登録日2017-06-16
公開日2017-07-26
最終更新日2019-11-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural mechanism of ATP-independent transcription initiation by RNA polymerase I.
Elife, 6, 2017
6XHU
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BU of 6xhu by Molmil
Room temperature X-ray crystallography reveals oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL Mpro: Insights for enzyme mechanism and drug design
分子名称: 3C-like proteinase
著者Kneller, D.W, Coates, L, Kovalevsky, A.
登録日2020-06-19
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design.
Iucrj, 7, 2020
6SXX
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BU of 6sxx by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with ACA007
分子名称: (3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, CREBBP
著者Xiang, W, Bedi, R.K, Sledz, P, Caflisch, A.
登録日2019-09-26
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structure of the bromodomain of human CREBBP in complex with ACA007
To Be Published
6XWB
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BU of 6xwb by Molmil
Crystal structure of an R-selective transaminase from Thermomyces stellatus.
分子名称: 1,2-ETHANEDIOL, PYRIDOXAL-5'-PHOSPHATE, R-selective transaminase, ...
著者Gourlay, L.J.
登録日2020-01-23
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An ( R )-Selective Transaminase From Thermomyces stellatus : Stabilizing the Tetrameric Form.
Front Bioeng Biotechnol, 8, 2020
6XIP
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BU of 6xip by Molmil
The 1.5 A Crystal Structure of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS CoV-2
分子名称: 1,2-ETHANEDIOL, Non-structural protein 7, Non-structural protein 8
著者Wilamowski, M, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-06-20
公開日2020-07-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication.
Biophys.J., 120, 2021
5VOI
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BU of 5voi by Molmil
X-ray crystal structure of bacterial RNA polymerase and pyrG promoter complex
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Murakami, K.S, Shin, Y, Turnbough Jr, C.L, Molodtsov, V.
登録日2017-05-02
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray crystal structure of a reiterative transcription complex reveals an atypical RNA extension pathway.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6XJF
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BU of 6xjf by Molmil
X-ray crystal structure of Pyrococcus furiosus general transcription factor TFE-alpha (SeMet labeled protein)
分子名称: Transcription factor E
著者Murakami, K.S, Jun, S.H.
登録日2020-06-23
公開日2020-07-08
最終更新日2021-01-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Direct binding of TFE alpha opens DNA binding cleft of RNA polymerase.
Nat Commun, 11, 2020
6XK9
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BU of 6xk9 by Molmil
Cereblon in complex with DDB1, CC-90009, and GSPT1
分子名称: 2-(4-chlorophenyl)-N-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)-2,2-difluoroacetamide, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ...
著者Clayton, T.L, Tran, E.T, Zhu, J, Pagarigan, B.E, Matyskiela, M.E, Chamberlain, P.P.
登録日2020-06-25
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.64 Å)
主引用文献CC-90009, a novel cereblon E3 ligase modulator, targets acute myeloid leukemia blasts and leukemia stem cells.
Blood, 137, 2021
5VYA
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BU of 5vya by Molmil
S. cerevisiae Hsp104:casein complex, Extended Conformation
分子名称: Alpha-S1-casein, Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R.
登録日2017-05-24
公開日2017-07-05
最終更新日2017-08-02
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104.
Science, 357, 2017
6XPM
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Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus with microfluidics crystals at room temperature
分子名称: Lysophospholipase L1, SODIUM ION
著者Kim, Y, Johnson, J, Welk, L, Endres, M, Levens, A, Sherrell, D.A, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2020-07-08
公開日2020-07-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus with microfluidics crystals at room temperature
To Be Published
6NAD
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BU of 6nad by Molmil
Identification and biological evaluation of tertiary ALCOHOL-based inverse agonists of RORgt
分子名称: (S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol, Nuclear receptor ROR-gamma
著者Spurlino, J, Milligan, C.
登録日2018-12-05
公開日2019-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.90197086 Å)
主引用文献3-Substituted Quinolines as ROR gamma t Inverse Agonists.
Bioorg.Med.Chem.Lett., 29, 2019
5VSM
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BU of 5vsm by Molmil
Crystal structure of viperin with bound [4Fe-4S] cluster, 5'-deoxyadenosine, and L-methionine
分子名称: 5'-DEOXYADENOSINE, IRON/SULFUR CLUSTER, METHIONINE, ...
著者Fenwick, M.K, Li, Y, Cresswell, P, Modis, Y, Ealick, S.E.
登録日2017-05-11
公開日2017-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural studies of viperin, an antiviral radical SAM enzyme.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6X6S
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BU of 6x6s by Molmil
Cryo-EM Structure of the Helicobacter pylori OMC
分子名称: Cag pathogenicity island protein (Cag7), Type IV secretion system apparatus protein Cag3, Type IV secretion system apparatus protein CagM, ...
著者Sheedlo, M.J, Chung, J.M, Sawhney, N, Durie, C.L, Cover, T.L, Ohi, M.D, Lacy, D.B.
登録日2020-05-29
公開日2020-10-07
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM reveals species-specific components within the Helicobacter pylori Cag type IV secretion system core complex.
Elife, 9, 2020
6SL5
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Dunaliella Photosystem I Supercomplex
分子名称: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
著者Nelson, N, Caspy, I, Malavath, T, Klaiman, D, Shkolinsky, Y.
登録日2019-08-18
公開日2020-06-24
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Structure and energy transfer pathways of the Dunaliella Salina photosystem I supercomplex.
Biochim Biophys Acta Bioenerg, 1861, 2020
6Y9A
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Structure of full-length CD20 in complex with Obinutuzumab Fab
分子名称: B-lymphocyte antigen CD20, Obinutuzumab Fab Light chain, Obinutuzumab Fab heavy chain
著者Kumar, A, Reyes, N.
登録日2020-03-06
公開日2020-08-26
最終更新日2020-09-16
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Binding mechanisms of therapeutic antibodies to human CD20.
Science, 369, 2020
6YA8
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Cdc7-Dbf4 bound to ADP-BeF3
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division cycle 7-related protein kinase,Cell division cycle 7-related protein kinase,Cell division cycle 7-related protein kinase, ...
著者Dick, S.D, Cherepanov, P.
登録日2020-03-11
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Basis for the Activation and Target Site Specificity of CDC7 Kinase.
Structure, 28, 2020

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