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7A1F
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BU of 7a1f by Molmil
Crystal structure of human 5' exonuclease Appollo in complex with 5'dAMP
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 5' exonuclease Apollo, FE (III) ION, ...
著者Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-08-12
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
6ZO4
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BU of 6zo4 by Molmil
The pointed end complex of dynactin bound to BICD2
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARP1 actin related protein 1 homolog A, ...
著者Lau, C.K, Lacey, S.E, Carter, A.P.
登録日2020-07-07
公開日2020-07-29
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (8.2 Å)
主引用文献Cryo-EM reveals the complex architecture of dynactin's shoulder region and pointed end.
Embo J., 40, 2021
6ZME
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BU of 6zme by Molmil
SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-eERF1 ribosome complex
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
著者Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
登録日2020-07-02
公開日2020-08-12
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
6ZRC
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BU of 6zrc by Molmil
Structure of the human RBAP48 in complex with a macrocyclic peptide cyclized via a xylene linker attached to two cysteines
分子名称: Histone-binding protein RBBP4, PARA-XYLENE, macrocyclic peptide based on residues 659-672 of the metastasis-associated protein MTA1
著者Vetter, I.R, Porfetye, A.T.
登録日2020-07-13
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure Based Design of Bicyclic Peptide Inhibitors of RbAp48.
Angew.Chem.Int.Ed.Engl., 60, 2021
7AAB
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BU of 7aab by Molmil
Crystal structure of the catalytic domain of human PARP1 in complex with inhibitor EB-47
分子名称: 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Schimpl, M, Ogden, T.E.H, Yang, J.-C, Easton, L.E, Underwood, E, Rawlins, P.B, Johannes, J.W, Embrey, K.J, Neuhaus, D.
登録日2020-09-04
公開日2021-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition.
Nucleic Acids Res., 49, 2021
7A4V
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BU of 7a4v by Molmil
Crystal structure of lid-truncated ADP-bound BiP in an oligomeric state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Endoplasmic reticulum chaperone BiP, GLYCEROL, ...
著者Perera, L.A, Ron, D.
登録日2020-08-20
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Calcium depletion challenges endoplasmic reticulum proteostasis by destabilising BiP-substrate complexes.
Elife, 9, 2020
6ZNN
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BU of 6znn by Molmil
The pointed end complex of dynactin bound to Hook3
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARP1 actin related protein 1 homolog A, ...
著者Lau, C.K, Lacey, S.E, Carter, A.P.
登録日2020-07-06
公開日2020-07-29
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Cryo-EM reveals the complex architecture of dynactin's shoulder region and pointed end.
Embo J., 40, 2021
6ZNV
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BU of 6znv by Molmil
Protein polybromo-1 (PB1 BD2) Bound To DP28
分子名称: 1,2-ETHANEDIOL, 1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol, ACETATE ION, ...
著者Preuss, F, Mathea, S, Chatterjee, D, Wanior, M, Joerger, A.C, Knapp, S.
登録日2020-07-06
公開日2020-08-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
6ZOL
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BU of 6zol by Molmil
SARS-CoV-2-Nsp1-40S complex, focused on head
分子名称: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S12, ...
著者Schubert, K, Karousis, E.D, Jomaa, A, Scaiola, A, Echeverria, B, Gurzeler, L.-A, Leibundgut, M.L, Thiel, V, Muehlemann, O, Ban, N.
登録日2020-07-07
公開日2020-07-22
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献SARS-CoV-2 Nsp1 binds the ribosomal mRNA channel to inhibit translation.
Nat.Struct.Mol.Biol., 27, 2020
6ZOJ
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BU of 6zoj by Molmil
SARS-CoV-2-Nsp1-40S complex, composite map
分子名称: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
著者Schubert, K, Karousis, E.D, Jomaa, A, Scaiola, A, Echeverria, B, Gurzeler, L.-A, Leibundgut, M.L, Thiel, V, Muehlemann, O, Ban, N.
登録日2020-07-07
公開日2020-07-22
最終更新日2021-02-10
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献SARS-CoV-2 Nsp1 binds the ribosomal mRNA channel to inhibit translation.
Nat.Struct.Mol.Biol., 27, 2020
4I9U
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BU of 4i9u by Molmil
Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256
分子名称: 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
著者Zhou, T, Kohlmann, A, Stephan, Z.G, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C.
登録日2012-12-05
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
6Y9X
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BU of 6y9x by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,7)
分子名称: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2020-03-10
公開日2020-08-19
最終更新日2021-02-10
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
2PHE
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BU of 2phe by Molmil
Model for VP16 binding to PC4
分子名称: Alpha trans-inducing protein, TRANSCRIPTIONAL COACTIVATOR PC4
著者Jonker, H.R.A, Wechselberger, R.W, Boelens, R, Folkers, G.E, Kaptein, R.
登録日2007-04-11
公開日2007-04-24
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural Properties of the Promiscuous VP16 Activation Domain
Biochemistry, 44, 2005
2BTP
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BU of 2btp by Molmil
14-3-3 Protein Theta (Human) Complexed to Peptide
分子名称: 14-3-3 PROTEIN TAU, CONSENSUS PEPTIDE FOR 14-3-3 PROTEINS
著者Elkins, J.M, Johansson, A.C.E, Smee, C, Yang, X, Sundstrom, M, Edwards, A, Arrowsmith, C, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2005-06-05
公開日2005-06-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family.
Proc.Natl.Acad.Sci.USA, 103, 2006
6Y2L
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BU of 6y2l by Molmil
Structure of human ribosome in POST state
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
著者Bhaskar, V, Schenk, A.D, Cavadini, S, von Loeffelholz, O, Natchiar, S.K, Klaholz, B.P, Chao, J.A.
登録日2020-02-16
公開日2020-04-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Dynamics of uS19 C-Terminal Tail during the Translation Elongation Cycle in Human Ribosomes.
Cell Rep, 31, 2020
6Y9Y
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BU of 6y9y by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-7,13)
分子名称: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2020-03-10
公開日2020-08-19
最終更新日2021-02-10
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6YQO
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BU of 6yqo by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW12
分子名称: (S)-N1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-N8-hydroxyoctanediamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-04-17
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
2ONB
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BU of 2onb by Molmil
Human Thymidylate Synthase at low salt conditions with PDPA bound
分子名称: 1,2-ETHANEDIOL, PROPANE-1,3-DIYLBIS(PHOSPHONIC ACID), SULFATE ION, ...
著者Lovelace, L.L, Gibson, L.M, Lebioda, L.
登録日2007-01-23
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cooperative Inhibition of Human Thymidylate Synthase by Mixtures of Active Site Binding and Allosteric Inhibitors
Biochemistry, 46, 2007
6Y9W
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BU of 6y9w by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,8)
分子名称: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2020-03-10
公開日2020-08-19
最終更新日2021-02-10
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6YBW
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BU of 6ybw by Molmil
Structure of a human 48S translational initiation complex - 40S body
分子名称: 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S13, ...
著者Brito Querido, J, Sokabe, M, Kraatz, S, Gordiyenko, Y, Skehel, M, Fraser, C, Ramakrishnan, V.
登録日2020-03-18
公開日2020-09-16
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of a human 48Stranslational initiation complex.
Science, 369, 2020
6ZVJ
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BU of 6zvj by Molmil
Structure of a human ABCE1-bound 43S pre-initiation complex - State II
分子名称: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
著者Kratzat, H, Mackens-Kiani, T, Ameismeier, A, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
登録日2020-07-24
公開日2020-10-07
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献A structural inventory of native ribosomal ABCE1-43S pre-initiation complexes.
Embo J., 40, 2021
7A9U
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BU of 7a9u by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
分子名称: 1,2-ETHANEDIOL, 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide, Bromodomain-containing protein 4
著者Chung, C.
登録日2020-09-02
公開日2020-10-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.444 Å)
主引用文献A Photoaffinity-Based Fragment-Screening Platform for Efficient Identification of Protein Ligands.
Angew.Chem.Int.Ed.Engl., 59, 2020
7AAA
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BU of 7aaa by Molmil
Crystal structure of the catalytic domain of human PARP1 (apo)
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ...
著者Schimpl, M, Ogden, T.E.H, Yang, J.-C, Underwood, E, Rawlins, P.B, Johannes, J.W, Easton, L.E, Embrey, K.J, Neuhaus, D.
登録日2020-09-04
公開日2021-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition.
Nucleic Acids Res., 49, 2021
4GPT
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BU of 4gpt by Molmil
Crystal structure of KPT251 in complex with CRM1-Ran-RanBP1
分子名称: 1,2-ETHANEDIOL, 2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole, CHLORIDE ION, ...
著者Sun, Q, Chook, Y.M.
登録日2012-08-21
公開日2012-09-05
最終更新日2013-01-23
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Antileukemic activity of nuclear export inhibitors that spare normal hematopoietic cells.
Leukemia, 27, 2013
6ZNL
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BU of 6znl by Molmil
Cryo-EM structure of the dynactin complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARP1 actin related protein 1 homolog A, ...
著者Lau, C.K, Lacey, S.E, Carter, A.P.
登録日2020-07-06
公開日2020-07-29
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM reveals the complex architecture of dynactin's shoulder region and pointed end.
Embo J., 40, 2021

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