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PDB: 17892 件

7ZFS
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BRD4 in complex with FragLite32
分子名称: 1,2-ETHANEDIOL, 4-bromanyl-1,2-dimethoxy-benzene, Bromodomain-containing protein 4, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-04-01
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7ZFO
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BRD4 in complex with FragLite28
分子名称: 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one, GLYCEROL, Isoform C of Bromodomain-containing protein 4
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-04-01
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7ZFN
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BRD4 in complex with FragLite24
分子名称: 4-bromanyl-2-oxidanyl-benzoic acid, Bromodomain-containing protein 4, GLYCEROL
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-04-01
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7ZFZ
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BRD4 in complex with PepLite-Val
分子名称: (2R)-2-acetamido-N-(3-bromanylprop-2-ynyl)-3-methyl-butanamide, Bromodomain-containing protein 4, GLYCEROL
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-04-01
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7ZFT
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BRD4 in complex with FragLite33
分子名称: 3-azanyl-5-bromanyl-1-methyl-pyridin-2-one, Bromodomain-containing protein 4, GLYCEROL
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-04-01
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7ZG1
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BRD4 in complex with PepLite-Tyr
分子名称: Bromodomain-containing protein 4, GLYCEROL, Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-04-01
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
6FVY
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26S proteasome, s6 state
分子名称: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ...
著者Eisele, M.R, Reed, R.G, Rudack, T, Schweitzer, A, Beck, F, Nagy, I, Pfeifer, G, Plitzko, J.M, Baumeister, W, Tomko, R.J, Sakata, E.
登録日2018-03-05
公開日2018-08-22
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Expanded Coverage of the 26S Proteasome Conformational Landscape Reveals Mechanisms of Peptidase Gating.
Cell Rep, 24, 2018
7ZG2
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BRD4 in complex with Acetyl-Lys
分子名称: (2S)-2,6-diacetamido-N-methyl-hexanamide, Bromodomain-containing protein 4, GLYCEROL
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-04-01
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7ZFU
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BRD4 in complex with PepLite-Pro
分子名称: (2R)-N-(3-bromanylprop-2-ynyl)-1-ethanoyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, GLYCEROL
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-04-01
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
2EWF
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BU of 2ewf by Molmil
Crystal structure of the site-specific DNA nickase N.BspD6I
分子名称: BROMIDE ION, Nicking endonuclease N.BspD6I
著者Kachalova, G.S, Bartunik, H.D, Artyukh, R.I, Rogulin, E.A, Perevyazova, T.A, Zheleznaya, L.A, Matvienko, N.I.
登録日2005-11-03
公開日2006-11-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural analysis of the heterodimeric type IIS restriction endonuclease R.BspD6I acting as a complex between a monomeric site-specific nickase and a catalytic subunit.
J.Mol.Biol., 384, 2008
4TWV
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BU of 4twv by Molmil
Horse heart myoglobin mutant (K45E/K63E/K96E) with Zn-deuteroporphyrin IX
分子名称: Myoglobin, Zinc (II) Deuteroporphyrin IX
著者Span, I, Rosenzweig, A.C.
登録日2014-07-02
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Charge-Disproportionation Symmetry Breaking Creates a Heterodimeric Myoglobin Complex with Enhanced Affinity and Rapid Intracomplex Electron Transfer.
J.Am.Chem.Soc., 138, 2016
8ELO
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BU of 8elo by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-225
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
著者Liu, H, Wilson, I.A.
登録日2022-09-26
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
8A6E
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100 picosecond light activated crystal structure of bovine rhodopsin in Lipidic Cubic Phase (SACLA)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 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Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C.J, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P.J.M, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C.M, Diethelm, A.D, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V.
登録日2022-06-17
公開日2023-03-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023
4U15
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BU of 4u15 by Molmil
M3-mT4L receptor bound to tiotropium
分子名称: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, D(-)-TARTARIC ACID, ...
著者Thorsen, T.S, Matt, R, Weis, W.I, Kobilka, B.
登録日2014-07-15
公開日2014-11-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Modified T4 Lysozyme Fusion Proteins Facilitate G Protein-Coupled Receptor Crystallogenesis.
Structure, 22, 2014
5BJ3
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BU of 5bj3 by Molmil
THERMUS THERMOPHILUS ASPARTATE AMINOTRANSFERASE TETRA MUTANT 1
分子名称: PROTEIN (ASPARTATE AMINOTRANSFERASE), PYRIDOXAL-5'-PHOSPHATE
著者Ura, H, Nakai, T, Kawaguchi, S.I, Miyahara, I, Hirotsu, K, Kuramitsu, S.
登録日1999-01-11
公開日2003-09-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Substrate recognition mechanism of thermophilic dual-substrate enzyme
J.BIOCHEM.(TOKYO), 130, 2001
1KLM
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BU of 1klm by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH BHAP U-90152
分子名称: (1-(5-METHANSULPHONAMIDO-1H-INDOL-2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE, HIV-1 REVERSE TRANSCRIPTASE
著者Ren, J, Esnouf, R.M, Stammers, D.K, Stuart, D.I.
登録日1997-03-17
公開日1998-03-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Unique features in the structure of the complex between HIV-1 reverse transcriptase and the bis(heteroaryl)piperazine (BHAP) U-90152 explain resistance mutations for this nonnucleoside inhibitor.
Proc.Natl.Acad.Sci.USA, 94, 1997
8A6D
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BU of 8a6d by Molmil
10 picosecond light activated crystal structure of bovine rhodopsin in Lipidic Cubic Phase
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 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Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C.J, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P.J.M, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C.M, Diethelm, A.D, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V.
登録日2022-06-17
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023
8ELP
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BU of 8elp by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-240
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
著者Liu, H, Wilson, I.A.
登録日2022-09-26
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
8A6C
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BU of 8a6c by Molmil
1 picosecond light activated crystal structure of bovine rhodopsin in Lipidic Cubic Phase
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 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Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C.J, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P.J.M, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C.M, Diethelm, A.D, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V.
登録日2022-06-17
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023
7BJV
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Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the synthetic agonist BYI09181
分子名称: DI(HYDROXYETHYL)ETHER, Ecdysone Receptor, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ...
著者Browning, C, McEwen, A.G, Billas, I.M.L.
登録日2021-01-14
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Nonsteroidal ecdysone receptor agonists use a water channel for binding to the ecdysone receptor complex EcR/USP.
J Pestic Sci, 46, 2021
7OCA
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BU of 7oca by Molmil
Resting state full-length GluA1/A2 heterotertramer in complex with TARP gamma 8 and CNIH2
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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Zhang, D, Watson, J.F, Matthews, P.M, Cais, O, Greger, I.H.
登録日2021-04-26
公開日2021-06-09
最終更新日2021-06-30
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Gating and modulation of a hetero-octameric AMPA glutamate receptor.
Nature, 594, 2021
7BJU
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BU of 7bju by Molmil
Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the synthetic agonist BYI08346
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, Ecdysone Receptor, ...
著者Browning, C, McEwen, A.G, Billas, I.M.L.
登録日2021-01-14
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Nonsteroidal ecdysone receptor agonists use a water channel for binding to the ecdysone receptor complex EcR/USP.
J Pestic Sci, 46, 2021
7OCD
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BU of 7ocd by Molmil
Resting state GluA1/A2 heterotetramer in complex with auxiliary subunit TARP gamma 8 (LBD-TMD)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide, Glutamate receptor 2, ...
著者Zhang, D, Watson, J.F, Matthews, P.M, Cais, O, Greger, I.H.
登録日2021-04-26
公開日2021-06-09
最終更新日2021-06-30
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Gating and modulation of a hetero-octameric AMPA glutamate receptor.
Nature, 594, 2021
2AOD
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BU of 2aod by Molmil
Crystal structure analysis of HIV-1 protease with a substrate analog P2-NC
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, HIV-1 PROTEASE, ...
著者Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T.
登録日2005-08-12
公開日2006-01-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
7OCE
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BU of 7oce by Molmil
Resting state GluA1/A2 AMPA receptor in complex with TARP gamma 8 and CNIH2 (LBD-TMD)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide, CHOLESTEROL, ...
著者Zhang, D, Watson, J.F, Matthews, P.M, Cais, O, Greger, I.H.
登録日2021-04-26
公開日2021-06-09
最終更新日2021-06-30
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Gating and modulation of a hetero-octameric AMPA glutamate receptor.
Nature, 594, 2021

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