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PDB: 1631 件

6V4P
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Structure of the integrin AlphaIIbBeta3-Abciximab complex
分子名称: Abciximab, heavy chain, light chain, ...
著者Nesic, D, Zhang, Y, Spasic, A, Li, J, Provasi, D, Filizola, M, Walz, T, Coller, B.S.
登録日2019-11-28
公開日2020-02-05
最終更新日2020-03-11
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-Electron Microscopy Structure of the alpha IIb beta 3-Abciximab Complex.
Arterioscler Thromb Vasc Biol., 40, 2020
6VG7
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De novo designed Rossmann fold protein ROS2_49223
分子名称: De novo designed protein RO2_25
著者Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
登録日2020-01-07
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
7WJS
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Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157
分子名称: 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-07
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WL4
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Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor SLP-50
分子名称: Bromodomain-containing protein 4, ~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl)benzenesulfonamide
著者Zhang, C, Wang, C, Li, W, Zhang, Y, Xu, Y, Sun, L.
登録日2022-01-12
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Design, synthesis, and anticancer evaluation of ammosamide B with pyrroloquinoline derivatives as novel BRD4 inhibitors.
Bioorg.Chem., 127, 2022
7WKY
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Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13153
分子名称: 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-12
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WNI
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Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158
分子名称: 1,2-ETHANEDIOL, 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, ...
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-18
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WMU
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Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13146
分子名称: 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-17
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WN5
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Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13142
分子名称: 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, POTASSIUM ION, ...
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-17
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WLN
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BU of 7wln by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153
分子名称: 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-13
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WNA
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Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Isoform 4 of Bromodomain-containing protein 2, ...
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-17
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WMQ
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BU of 7wmq by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157
分子名称: 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, FORMIC ACID, GLYCEROL, ...
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-16
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
6VGA
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BU of 6vga by Molmil
De novo designed Rossmann fold protein ROS2_835
分子名称: De novo designed protein RO2_1
著者Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
登録日2020-01-07
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
6VGB
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BU of 6vgb by Molmil
De novo designed Rossmann fold protein ROS2_36830
分子名称: De novo designed protein RO2_20
著者Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
登録日2020-01-07
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
2OE3
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BU of 2oe3 by Molmil
Crystal Structure of Mitochondrial Thioredoxin 3 from Saccharomyces cerevisiae (oxidized form)
分子名称: Thioredoxin-3
著者Bao, R, Zhang, Y.R, Zhou, C.Z, Chen, Y.X.
登録日2006-12-28
公開日2008-01-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and mechanistic analyses of yeast mitochondrial thioredoxin Trx3 reveal putative function of its additional cysteine residues
Biochim.Biophys.Acta, 1794, 2009
8W9Z
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The cryo-EM structure of the Nicotiana tabacum PEP-PAP
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta'', ...
著者Wu, X.X, Zhang, Y.
登録日2023-09-06
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structures of the plant plastid-encoded RNA polymerase.
Cell, 187, 2024
8W6D
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BU of 8w6d by Molmil
CryoEM structure of NaDC1 in apo state
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
著者Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R.
登録日2023-08-28
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
8W6N
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NaS1 with sulfate in IN/OUT state
分子名称: SODIUM ION, SULFATE ION, Solute carrier family 13 member 1
著者Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R.
登録日2023-08-29
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
8W6O
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BU of 8w6o by Molmil
NaS1 in IN/IN state
分子名称: CHOLESTEROL, SODIUM ION, Solute carrier family 13 member 1
著者Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R.
登録日2023-08-29
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
8W6G
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NaDC1 with inhibitor ACA
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-[[(~{E})-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid, CHOLESTEROL HEMISUCCINATE, ...
著者Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R.
登録日2023-08-28
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
8W6T
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BU of 8w6t by Molmil
NaS1 in IN/OUT state
分子名称: Solute carrier family 13 member 1
著者Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R.
登録日2023-08-29
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
8W6C
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CryoEM structure of NaDC1 with Citrate
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CHOLESTEROL HEMISUCCINATE, CITRIC ACID, ...
著者Chi, X, Chen, Y, Li, Y, Dai, L, Zhang, Y, Shen, Y, Chen, Y, Shi, T, Yang, H, Wang, Z, Yan, R.
登録日2023-08-28
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
8W6H
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NaS1 with sulfate - IN/IN state
分子名称: CHOLESTEROL, SODIUM ION, SULFATE ION, ...
著者Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R.
登録日2023-08-28
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
8IK2
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RhlA exhibits dual thioesterase and acyltransferase activities during rhamnolipid biosynthesis
分子名称: (3~{S})-3-oxidanyldecanoic acid, 3-(3-hydroxydecanoyloxy)decanoate synthase
著者Tang, T, Fu, L.H, Xie, W.H, Luo, Y.Z, Zhang, Y.T, Si, T.
登録日2023-02-28
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献RhlA Exhibits Dual Thioesterase and Acyltransferase Activities during Rhamnolipid Biosynthesis
Acs Catalysis, 13, 2023
8U2Y
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Solution structure of the PHD6 finger of MLL4 bound to TET3
分子名称: Histone-lysine N-methyltransferase 2D, Methylcytosine dioxygenase TET3, ZINC ION
著者Mohid, S.A, Zandian, M, Zhang, Y, Kutateladze, T.G.
登録日2023-09-06
公開日2024-06-19
実験手法SOLUTION NMR
主引用文献MLL4 binds TET3.
Structure, 32, 2024
7CZP
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S protein of SARS-CoV-2 in complex bound with P2B-1A1
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, IG c181_light_IGLV2-14_IGLJ3,IGL@ protein, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
登録日2020-09-09
公開日2021-03-10
最終更新日2021-05-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021

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