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5MQE
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Crystal structure of CREBBP bromodomain complexed with CBP006
分子名称: 4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide, CREB-binding protein
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2016-12-20
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5MQK
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BU of 5mqk by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP019
分子名称: 1-(1-methylindol-3-yl)ethanone, CREB-binding protein
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2016-12-20
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5LS6
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BU of 5ls6 by Molmil
Structure of Human Polycomb Repressive Complex 2 (PRC2) with inhibitor
分子名称: 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide, Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2, Jarid2 K116me3, ...
著者Zhang, Y, Justin, N, Chen, S, Wilson, J, Gamblin, S.
登録日2016-08-22
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.47 Å)
主引用文献Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas.
J. Med. Chem., 59, 2016
5NI3
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BU of 5ni3 by Molmil
sfGFP 204-204 mutant dimer
分子名称: CHLORIDE ION, GLYCEROL, Green fluorescent protein, ...
著者Worthy, H.L, Rizkallah, P.J.
登録日2017-03-23
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Association of Fluorescent Protein Pairs and Its Significant Impact on Fluorescence and Energy Transfer
Adv Sci, 2020
5LQ3
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BU of 5lq3 by Molmil
Structures and transport dynamics of the Campylobacter jejuni multidrug efflux pump CmeB
分子名称: CmeB
著者Su, C.C.
登録日2016-08-15
公開日2017-08-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献Structures and transport dynamics of a Campylobacter jejuni multidrug efflux pump.
Nat Commun, 8, 2017
5LD5
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BU of 5ld5 by Molmil
Crystal structure of a bacterial dehydrogenase at 2.19 Angstroms resolution
分子名称: GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Querol-Garcia, J, Fernandez, F.J, Gomez, S, Fulla, D, Juanhuix, J, Vega, M.C.
登録日2016-06-23
公開日2017-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1906 Å)
主引用文献Crystal Structure of Glyceraldehyde-3-Phosphate Dehydrogenase from the Gram-Positive Bacterial Pathogen A. vaginae, an Immunoevasive Factor that Interacts with the Human C5a Anaphylatoxin.
Front Microbiol, 8, 2017
5LIA
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BU of 5lia by Molmil
Crystal structure of murine autotaxin in complex with a small molecule inhibitor
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Turnbull, A.P, Shah, P, Cheasty, A, Raynham, T, Pang, L, Owen, P.
登録日2016-07-14
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Discovery of potent inhibitors of the lysophospholipase autotaxin.
Bioorg. Med. Chem. Lett., 26, 2016
5LKY
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BU of 5lky by Molmil
X-ray crystal structure of N-acetylneuraminic acid lyase in complex with pyruvate, with the phenylalanine at position 190 replaced with the non-canonical amino acid dihydroxypropylcysteine.
分子名称: DI(HYDROXYETHYL)ETHER, N-acetylneuraminate lyase
著者Windle, C.L, Trinh, C.H, Pearson, A.R, Nelson, A.S, Berry, A.
登録日2016-07-25
公開日2017-03-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Extending enzyme molecular recognition with an expanded amino acid alphabet.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8UHO
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BU of 8uho by Molmil
Crystal structure of SARS CoV-2 3CL protease in complex with GSK4365096A
分子名称: 3C-like proteinase nsp5, N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-[(2S,3Z)-1-[(2S)-oxolan-2-yl]-3-(2-oxooxolan-3-ylidene)propan-2-yl]-L-leucinamide
著者Concha, N.O, Williams, S.P.
登録日2023-10-09
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Exploration of the P1 residue in 3CL protease inhibitors leading to the discovery of a 2-tetrahydrofuran P1 replacement.
Bioorg.Med.Chem., 100, 2024
8UIF
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BU of 8uif by Molmil
Crystal structure of SARS CoV-2 3CL protease in complex with GSK4365096A
分子名称: 3C-like proteinase nsp5, N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2R)-1-[(2S)-oxolan-2-yl]-3-[(3S)-2-oxooxolan-3-yl]propan-2-yl}-L-leucinamide
著者Concha, N.O, Williams, S.P.
登録日2023-10-10
公開日2024-02-14
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Exploration of the P1 residue in 3CL protease inhibitors leading to the discovery of a 2-tetrahydrofuran P1 replacement.
Bioorg.Med.Chem., 100, 2024
8V01
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BU of 8v01 by Molmil
The structure of the native cardiac thin filament troponin core in Ca2+-bound fully activated state 1 from the lower strand
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ...
著者Galkin, V.E, Risi, C.M.
登録日2023-11-16
公開日2024-03-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献Troponin Structural Dynamics in the Native Cardiac Thin Filament Revealed by Cryo Electron Microscopy.
J.Mol.Biol., 436, 2024
9EOG
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BU of 9eog by Molmil
PHF type tau filament from R406W mutant
分子名称: Microtubule-associated protein tau
著者Qi, C, Scheres, S.H.W, Michel, G.
登録日2024-03-14
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Tau filaments with the Alzheimer fold in cases with MAPT mutations V337M and R406W.
Biorxiv, 2024
8V0K
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BU of 8v0k by Molmil
The structure of the native cardiac thin filament troponin core in Ca2+-bound partially activated state from the lower strand
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ...
著者Galkin, V.E, Risi, C.M.
登録日2023-11-17
公開日2024-03-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Troponin Structural Dynamics in the Native Cardiac Thin Filament Revealed by Cryo Electron Microscopy.
J.Mol.Biol., 436, 2024
8UZ6
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BU of 8uz6 by Molmil
The structure of the native cardiac thin filament troponin core in Ca2+-free tilted state from the lower strand
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ...
著者Galkin, V.E, Risi, C.M.
登録日2023-11-14
公開日2024-03-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (7.1 Å)
主引用文献Troponin Structural Dynamics in the Native Cardiac Thin Filament Revealed by Cryo Electron Microscopy.
J.Mol.Biol., 436, 2024
8UV0
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BU of 8uv0 by Molmil
Discovery of (4-Pyrazolyl)-2-Aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2
分子名称: 1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol, Cyclin-dependent kinase 2
著者Deller, M.C, Epling, L.B.
登録日2023-11-02
公開日2024-02-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of (4-Pyrazolyl)-2-aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2.
J.Med.Chem., 67, 2024
8UWW
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BU of 8uww by Molmil
The structure of the native cardiac thin filament troponin core in Ca2+-free state from the upper strand
分子名称: Actin, alpha cardiac muscle 1, Tropomyosin alpha-1 chain, ...
著者Galkin, V.E, Risi, C.M.
登録日2023-11-08
公開日2024-03-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.1 Å)
主引用文献Troponin Structural Dynamics in the Native Cardiac Thin Filament Revealed by Cryo Electron Microscopy.
J.Mol.Biol., 436, 2024
8UYD
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BU of 8uyd by Molmil
The structure of the native cardiac thin filament troponin core in Ca2+-free state from the lower strand
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ...
著者Galkin, V.E, Risi, C.M.
登録日2023-11-13
公開日2024-03-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.3 Å)
主引用文献Troponin Structural Dynamics in the Native Cardiac Thin Filament Revealed by Cryo Electron Microscopy.
J.Mol.Biol., 436, 2024
9EO7
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BU of 9eo7 by Molmil
PHF type tau filament from V337M mutant
分子名称: Isoform Tau-F of Microtubule-associated protein tau
著者Qi, C, Scheres, S.H.W, Michel, G.
登録日2024-03-14
公開日2024-07-10
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Tau filaments with the Alzheimer fold in cases with MAPT mutations V337M and R406W.
Biorxiv, 2024
8W0V
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BU of 8w0v by Molmil
Crystal structure of broadly neutralizing antibody hcab55 in complex with Hepatitis C virus envelope glycoprotein E2 ectodomain
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, Envelope glycoprotein E2, ...
著者Flyak, A.I, Wilcox, X.E.
登録日2024-02-14
公開日2024-03-27
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Convergent evolution and targeting of diverse E2 epitopes by human broadly neutralizing antibodies are associated with HCV clearance.
Immunity, 57, 2024
8TZX
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BU of 8tzx by Molmil
Ternary complex structure of Cereblon-DDB1 bound to WIZ(ZF7) and the molecular glue dWIZ-1
分子名称: (3S)-3-(5-{(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione, 1,2-ETHANEDIOL, DNA damage-binding protein 1, ...
著者Clifton, M.C, Ma, X, Ornelas, E.
登録日2023-08-28
公開日2024-07-10
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献A molecular glue degrader of the WIZ transcription factor for fetal hemoglobin induction.
Science, 385, 2024
8W0W
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BU of 8w0w by Molmil
Crystal structure of broadly neutralizing antibody hcab64 in complex with Hepatitis C virus envelope glycoprotein E2 ectodomain
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, Envelope glycoprotein E2, ...
著者Flyak, A.I, Wilcox, X.E.
登録日2024-02-14
公開日2024-03-27
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Convergent evolution and targeting of diverse E2 epitopes by human broadly neutralizing antibodies are associated with HCV clearance.
Immunity, 57, 2024
8UZY
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BU of 8uzy by Molmil
The structure of the native cardiac thin filament troponin core in Ca2+-bound partially activated state from the upper strand
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ...
著者Galkin, V.E, Risi, C.M.
登録日2023-11-16
公開日2024-03-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.3 Å)
主引用文献Troponin Structural Dynamics in the Native Cardiac Thin Filament Revealed by Cryo Electron Microscopy.
J.Mol.Biol., 436, 2024
8V0I
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BU of 8v0i by Molmil
The structure of the native cardiac thin filament troponin core in Ca2+-bound fully activated state 2 from the lower strand
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ...
著者Galkin, V.E, Risi, C.M.
登録日2023-11-17
公開日2024-03-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献Troponin Structural Dynamics in the Native Cardiac Thin Filament Revealed by Cryo Electron Microscopy.
J.Mol.Biol., 436, 2024
8UIA
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BU of 8uia by Molmil
Crystal structure of SARS CoV-2 3CL protease in complex with GSK4365097A
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, GLYCEROL, ...
著者Concha, N.O, Williams, S.P.
登録日2023-10-10
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploration of the P1 residue in 3CL protease inhibitors leading to the discovery of a 2-tetrahydrofuran P1 replacement.
Bioorg.Med.Chem., 100, 2024
8UWY
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BU of 8uwy by Molmil
The structure of the native cardiac thin filament troponin core in Ca2+-free rotated state from the upper strand
分子名称: Actin, alpha cardiac muscle 1, Tropomyosin alpha-1 chain, ...
著者Galkin, V.E, Risi, C.M.
登録日2023-11-08
公開日2024-03-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献Troponin Structural Dynamics in the Native Cardiac Thin Filament Revealed by Cryo Electron Microscopy.
J.Mol.Biol., 436, 2024

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件を2024-07-17に公開中

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