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6ODB
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BU of 6odb by Molmil
Crystal structure of HDAC8 in complex with compound 3
Descriptor: GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ...
Authors:Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
Deposit date:2019-03-26
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
6ODA
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BU of 6oda by Molmil
Crystal structure of HDAC8 in complex with compound 2
Descriptor: Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ...
Authors:Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
Deposit date:2019-03-26
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
6ODC
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BU of 6odc by Molmil
Crystal structure of HDAC8 in complex with compound 30
Descriptor: (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ...
Authors:Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
Deposit date:2019-03-26
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
6WL5
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BU of 6wl5 by Molmil
Crystal structure of EcmrR C-terminal domain
Descriptor: 1,2-ETHANEDIOL, CETYL-TRIMETHYL-AMMONIUM, CHLORIDE ION, ...
Authors:Yang, Y, Liu, C, Liu, B.
Deposit date:2020-04-18
Release date:2021-04-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
6XLK
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BU of 6xlk by Molmil
Cryo-EM structure of EcmrR-DNA complex in EcmrR-RPitc-4nt
Descriptor: CHAPSO, MerR family transcriptional regulator EcmrR, TETRAPHENYLANTIMONIUM ION, ...
Authors:Yang, Y, Liu, C, Liu, B.
Deposit date:2020-06-28
Release date:2021-04-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
6XLA
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BU of 6xla by Molmil
Cryo-EM structure of EcmrR-DNA complex in EcmrR-RPitc-3nt
Descriptor: MerR family transcriptional regulator EcmrR, TETRAPHENYLANTIMONIUM ION, synthetic non-template strand DNA (54-MER), ...
Authors:Yang, Y, Liu, C, Shi, W, Liu, B.
Deposit date:2020-06-28
Release date:2021-04-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
6XL6
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BU of 6xl6 by Molmil
Cryo-EM structure of EcmrR-DNA complex in EcmrR-RPo
Descriptor: CHAPSO, MerR family transcriptional regulator EcmrR, TETRAPHENYLANTIMONIUM ION, ...
Authors:Yang, Y, Liu, C, Liu, B.
Deposit date:2020-06-28
Release date:2021-04-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
6XL9
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BU of 6xl9 by Molmil
Cryo-EM structure of EcmrR-RNAP-promoter initial transcribing complex with 3-nt RNA transcript (EcmrR-RPitc-3nt)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Yang, Y, Liu, C, Shi, W, Liu, B.
Deposit date:2020-06-28
Release date:2021-04-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
6XLN
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BU of 6xln by Molmil
Cryo-EM structure of E. coli RNAP-DNA elongation complex 2 (RDe2) in EcmrR-dependent transcription
Descriptor: 9-nt RNA transcript, CHAPSO, DNA-directed RNA polymerase subunit alpha, ...
Authors:Yang, Y, Liu, C, Liu, B.
Deposit date:2020-06-28
Release date:2021-04-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
6XLJ
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BU of 6xlj by Molmil
Cryo-EM structure of EcmrR-RNAP-promoter initial transcribing complex with 4-nt RNA transcript (EcmrR-RPitc-4nt)
Descriptor: CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Yang, Y, Liu, C, Liu, B.
Deposit date:2020-06-28
Release date:2021-04-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
6XLM
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BU of 6xlm by Molmil
Cryo-EM structure of E.coli RNAP-DNA elongation complex 1 (RDe1) in EcmrR-dependent transcription
Descriptor: 9-nt RNA transcript, CHAPSO, DNA-directed RNA polymerase subunit alpha, ...
Authors:Yang, Y, Liu, C, Liu, B.
Deposit date:2020-06-28
Release date:2021-04-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
6XL5
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BU of 6xl5 by Molmil
Cryo-EM structure of EcmrR-RNAP-promoter open complex (EcmrR-RPo)
Descriptor: CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Yang, Y, Liu, C, Liu, B.
Deposit date:2020-06-28
Release date:2021-04-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
6XLL
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BU of 6xll by Molmil
Cryo-EM structure of E. coli RNAP-promoter initial transcribing complex with 5-nt RNA transcript (RPitc-5nt)
Descriptor: CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Yang, Y, Liu, C, Liu, B.
Deposit date:2020-06-28
Release date:2021-04-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
6X9H
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BU of 6x9h by Molmil
Molecular mechanism and structural basis of small-molecule modulation of acid-sensing ion channel 1 (ASIC1)
Descriptor: 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, ...
Authors:Liu, Y, Ma, J, DesJarlais, R.L, Hagan, R, Rech, J, Lin, D, Liu, C, Miller, R, Schoellerman, J, Luo, J, Letavic, M, Grasberger, B, Maher, M.
Deposit date:2020-06-02
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Molecular mechanism and structural basis of small-molecule modulation of the gating of acid-sensing ion channel 1.
Commun Biol, 4, 2021
4ZMU
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BU of 4zmu by Molmil
Dcsbis, a diguanylate cyclase from Pseudomonas aeruginosa
Descriptor: diguanylate cyclase
Authors:Chen, Y, Liu, C, Liu, S, Chi, K, Gu, L.
Deposit date:2015-05-04
Release date:2016-05-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:crystal structure of Dcsbis from Pseudomonas aeruginosa
To Be Published
4ZMM
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BU of 4zmm by Molmil
GGDEF domain of Dcsbis complexed with c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), diguanylate cyclase
Authors:Chen, Y, Liu, C, Liu, S, Chi, K, Gu, L.
Deposit date:2015-05-04
Release date:2016-05-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Crystal structure of Dcsbis GGDEF domain complexed with c-di-GMP
To Be Published
6A6B
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BU of 6a6b by Molmil
cryo-em structure of alpha-synuclein fiber
Descriptor: Alpha-synuclein
Authors:Li, Y.W, Zhao, C.Y, Luo, F, Liu, Z, Gui, X, Luo, Z, Zhang, X, Li, D, Liu, C, Li, X.
Deposit date:2018-06-27
Release date:2018-07-11
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Amyloid fibril structure of alpha-synuclein determined by cryo-electron microscopy
Cell Res., 28, 2018
8JEX
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BU of 8jex by Molmil
Cryo-EM structure of alpha-synuclein gS87 fibril
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-synuclein, unverified amino acid chain
Authors:Xia, W.C, Sun, Y.P, Liu, C.
Deposit date:2023-05-16
Release date:2024-04-17
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Phosphorylation and O-GlcNAcylation at the same alpha-synuclein site generate distinct fibril structures.
Nat Commun, 15, 2024
7BX7
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BU of 7bx7 by Molmil
Cryo-EM structure of amyloid fibril formed by hnRNPA1 low complexity domain
Descriptor: Heterogeneous nuclear ribonucleoprotein A1
Authors:Sun, Y.P, Zhao, K, Liu, C, Li, D.
Deposit date:2020-04-17
Release date:2020-11-18
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:The nuclear localization sequence mediates hnRNPA1 amyloid fibril formation revealed by cryoEM structure.
Nat Commun, 11, 2020
1X9A
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BU of 1x9a by Molmil
Solution NMR Structure of Protein Tm0979 from Thermotoga maritima. Ontario Center for Structural Proteomics Target TM0979_1_87; Northeast Structural Genomics Consortium Target VT98.
Descriptor: hypothetical protein TM0979
Authors:Gaspar, J.A, Liu, C, Vassall, K.A, Stathopulos, P.B, Meglei, G, Stephen, R, Pineda-Lucena, A, Wu, B, Yee, A, Arrowsmith, C.H, Meiering, E.M, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-08-20
Release date:2004-12-07
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:A novel member of the YchN-like fold: solution structure of the hypothetical protein Tm0979 from Thermotoga maritima.
Protein Sci., 14, 2005
6VSJ
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BU of 6vsj by Molmil
Cryo-electron microscopy structure of mouse coronavirus spike protein complexed with its murine receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carcinoembryonic antigen-related cell adhesion molecule 1, Spike glycoprotein
Authors:Shang, J, Wan, Y.S, Liu, C, Yount, B, Gully, K, Yang, Y, Auerbach, A, Peng, G.Q, Baric, R, Li, F.
Deposit date:2020-02-11
Release date:2020-03-04
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Structure of mouse coronavirus spike protein complexed with receptor reveals mechanism for viral entry.
Plos Pathog., 16, 2020
3TLQ
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BU of 3tlq by Molmil
Crystal structure of EAL-like domain protein YdiV
Descriptor: GLYCEROL, PHOSPHATE ION, Regulatory protein YdiV
Authors:Li, B, Li, N, Wang, F, Guo, L, Liu, C, Zhu, D, Xu, S, Gu, L.
Deposit date:2011-08-30
Release date:2012-09-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural insight of a concentration-dependent mechanism by which YdiV inhibits Escherichia coli flagellum biogenesis and motility
Nucleic Acids Res., 40, 2012
4F5W
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BU of 4f5w by Molmil
Crystal structure of ligand free human STING CTD
Descriptor: CALCIUM ION, Transmembrane protein 173
Authors:Gu, L, Shang, G, Zhu, D, Li, N, Zhang, J, Zhu, C, Lu, D, Liu, C, Yu, Q, Zhao, Y, Xu, S.
Deposit date:2012-05-13
Release date:2012-06-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Crystal structures of STING protein reveal basis for recognition of cyclic di-GMP
Nat.Struct.Mol.Biol., 19, 2012
4F5Y
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BU of 4f5y by Molmil
Crystal structure of human STING CTD complex with C-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Transmembrane protein 173
Authors:Gu, L, Shang, G, Zhu, D, Li, N, Zhang, J, Zhu, C, Lu, D, Liu, C, Yu, Q, Zhao, Y, Xu, S.
Deposit date:2012-05-13
Release date:2012-06-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Crystal structures of STING protein reveal basis for recognition of cyclic di-GMP
Nat.Struct.Mol.Biol., 19, 2012
3HSF
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BU of 3hsf by Molmil
HEAT SHOCK TRANSCRIPTION FACTOR (HSF)
Descriptor: HEAT SHOCK TRANSCRIPTION FACTOR
Authors:Damberger, F.F, Pelton, J.G, Liu, C, Cho, H, Harrison, C.J, Nelson, H.C.M, Wemmer, D.E.
Deposit date:1995-08-07
Release date:1995-11-14
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Refined solution structure and dynamics of the DNA-binding domain of the heat shock factor from Kluyveromyces lactis.
J.Mol.Biol., 254, 1995

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數據於2024-05-08公開中

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