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8I4C
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Cryo-EM structure of U46619-bound ABCC4
分子名称: (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, ATP-binding cassette sub-family C member 4
著者Chen, Y, Wang, L, Hou, W.T, Zhou, C.Z, Chen, Y, Li, Q.
登録日2023-01-19
公開日2023-05-24
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Cryo-EM structure ofABCC4
Nat Cardiovasc Res, 2023
8J3Z
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Cryo-EM structure of ATP-U46619-bound ABCC4
分子名称: (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 4, ...
著者Chen, Y, Wang, L, Hou, W.T, Zhou, C.Z, Chen, Y, Li, Q.
登録日2023-04-18
公開日2023-05-24
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Cryo-EM structure ofABCC4
Nat Cardiovasc Res, 2023
8J3W
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Cryo-EM structure of aspirin-bound ABCC4
分子名称: 2-(ACETYLOXY)BENZOIC ACID, ATP-binding cassette sub-family C member 4
著者Chen, Y, Wang, L, Hou, W.T, Zhou, C.Z, Chen, Y, Li, Q.
登録日2023-04-18
公開日2023-05-24
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Cryo-EM structure ofABCC4
Nat Cardiovasc Res, 2023
6ALJ
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BU of 6alj by Molmil
ALDH1A2 liganded with NAD and compound WIN18,446
分子名称: Aldehyde dehydrogenase 1A2, N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide), NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Chen, Y, Zhu, J.-Y, Schonbrunn, E.
登録日2017-08-08
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6B5H
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ALDH1A2 liganded with NAD and 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
分子名称: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
著者Chen, Y, Zhu, J.-Y, Schonbrunn, E.
登録日2017-09-29
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6B5G
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ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118)
分子名称: (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
著者Chen, Y, Zhu, J.-Y, Schonbrunn, E.
登録日2017-09-29
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6B5I
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ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
分子名称: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, Retinal dehydrogenase 2
著者Chen, Y, Zhu, J.-Y, Schonbrunn, E.
登録日2017-09-29
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
7E34
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Crystal structure of SUN1-Speedy A-CDK2
分子名称: Cyclin-dependent kinase 2, GLYCEROL, SUN domain-containing protein 1, ...
著者Chen, Y, Huang, C, Wu, J, Lei, M.
登録日2021-02-08
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献The SUN1-SPDYA interaction plays an essential role in meiosis prophase I.
Nat Commun, 12, 2021
5YPS
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The structural basis of histone chaperoneVps75
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Chen, Y, Zhang, Y, Dou, Y, Wang, M, Xu, S, Jiang, H, Limper, A, Su, D.
登録日2017-11-03
公開日2018-11-07
最終更新日2020-06-10
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Structural basis for the acetylation of histone H3K9 and H3K27 mediated by the histone chaperone Vps75 inPneumocystis carinii.
Signal Transduct Target Ther, 4, 2019
8UAP
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Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 D311N in Complex with CCG273441
分子名称: (3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide, G protein-coupled receptor kinase 5
著者Chen, Y, Tesmer, J.J.G.
登録日2023-09-21
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Development of a new class of potent and highly selective G protein-coupled receptor kinase 5 inhibitors and structural insight from crystal structures of inhibitor complexes.
Eur.J.Med.Chem., 264, 2023
8UAQ
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BU of 8uaq by Molmil
Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL018-21
分子名称: (3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide, G protein-coupled receptor kinase 5
著者Chen, Y, Tesmer, J.J.G.
登録日2023-09-21
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Development of a new class of potent and highly selective G protein-coupled receptor kinase 5 inhibitors and structural insight from crystal structures of inhibitor complexes.
Eur.J.Med.Chem., 264, 2023
5ZB5
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BU of 5zb5 by Molmil
The structural basis of histone chaperoneVps75
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, NAP family histone chaperone vps75
著者Chen, Y, Zhang, Y, Dou, Y, Wang, M, Xu, S, Jiang, H, Limper, A, Su, D.
登録日2018-02-09
公開日2019-02-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Structural basis for the acetylation of histone H3K9 and H3K27 mediated by the histone chaperone Vps75 inPneumocystis carinii.
Signal Transduct Target Ther, 4, 2019
6LQX
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BU of 6lqx by Molmil
Crystal structure of the CBP bromodomain in complex with small molecule LC-CPin7
分子名称: (1~{S},6~{R})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid, CREB-binding protein, SODIUM ION
著者Chen, Y, Zhang, F, Sun, Z, Bi, X, Luo, C.
登録日2020-01-14
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Design, synthesis and biological evaluation of novel small molecule inhibitor of the CBP bromodomain with possible anti-leukemia effects
To Be Published
6JTK
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BU of 6jtk by Molmil
Crystal structure of NagZ from Neisseria gonorrhoeae in complex with N-trifluoroacetyl-D-glucosamine
分子名称: 2,2,2-tris(fluoranyl)-N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide, Beta-hexosaminidase
著者Chen, Y.
登録日2019-04-11
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of NagZ from Neisseria gonorrhoeae in complex with N-trifluoroacetyl-D-glucosamine
To Be Published
6JTI
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BU of 6jti by Molmil
Crystal structure of native NagZ from Neisseria gonorrhoeae
分子名称: Beta-hexosaminidase
著者Chen, Y.
登録日2019-04-11
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of native NagZ from Neisseria gonorrhoeae
To Be Published
6JTL
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BU of 6jtl by Molmil
Crystal structure of NagZ from Neisseria gonorrhoeae in complex with zinc ion
分子名称: Beta-hexosaminidase, ZINC ION
著者Chen, Y.
登録日2019-04-11
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of NagZ from Neisseria gonorrhoeae in complex with zinc ion
To Be Published
7DDC
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BU of 7ddc by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with Tafenoquine
分子名称: 3C-like proteinase, Tafenoquine
著者Chen, Y, Wang, Y.C, Yang, C.S, Hung, M.C.
登録日2020-10-28
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.175 Å)
主引用文献Tafenoquine and its derivatives as inhibitors for the severe acute respiratory syndrome coronavirus 2.
J.Biol.Chem., 298, 2022
8JIG
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BU of 8jig by Molmil
A Novel UHRF1-Targeted Compound
分子名称: E3 ubiquitin-protein ligase UHRF1, N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N'-oxidanyl-octanediamide
著者Chen, Y, Jiang, L.
登録日2023-05-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Novel UHRF1-Targeted Compound
To Be Published
7WVD
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BU of 7wvd by Molmil
Crystal structure of H14 complexed with SIA28
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, Heavy chain of SIA28, ...
著者Chen, Y, Qi, J, Gao, G.F.
登録日2022-02-10
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.39 Å)
主引用文献Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
7WVI
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Crystal structure of SIA28
分子名称: Heavy chain of SIA28, Light chain of SIA28
著者Chen, Y, Qi, J, Gao, G.F.
登録日2022-02-10
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
7WVG
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Crystal structure of H18 complexed with SIA28
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, Heavy chain of SIA28, ...
著者Chen, Y, Qi, J, Gao, G.F.
登録日2022-02-10
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
5X8F
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Ternary complex structure of a double mutant I454RA456K of o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis bound with AMP and its product analogue OSB-NCoA at 1.76 angstrom
分子名称: 2-succinylbenzoate--CoA ligase, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
著者Chen, Y, Guo, Z.
登録日2017-03-02
公開日2017-06-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.763 Å)
主引用文献Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode
J. Biol. Chem., 292, 2017
5X8G
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Binary complex structure of a double mutant I454RA456K of o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis bound with its product analogue OSB-NCoA at 1.90 angstrom
分子名称: 2-succinylbenzoate--CoA ligase, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Chen, Y, Guo, Z.
登録日2017-03-02
公開日2017-06-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode
J. Biol. Chem., 292, 2017
7WVB
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Human Fructose-1,6-bisphosphatase 1 mutant R50A in APO R-state
分子名称: Fructose-1,6-bisphosphatase 1
著者Chen, Y, Zhang, J, Li, C, Cao, Y.
登録日2022-02-10
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Human Fructose-1,6-bisphosphatase 1 mutant R50A in APO R-state
To Be Published
7UL1
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Crystal structure of SARS-CoV-2 RBD in complex with the neutralizing IGHV3-53-encoded antibody EH3 isolated from a nonvaccinated pediatric patient
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of EH3, Light chain of EH3, ...
著者Chen, Y, Tolbert, W.D, Pazgier, M.
登録日2022-04-03
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Molecular basis for antiviral activity of two pediatric neutralizing antibodies targeting SARS-CoV-2 Spike RBD.
Iscience, 26, 2023

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