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7WFC
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BU of 7wfc by Molmil
X-ray structure of HKU1-PLP2(Cys109Ser) catalytic mutant in complex with free ubiquitin
分子名称: 1,2-ETHANEDIOL, 60S ribosomal protein L40, Papain-like protease, ...
著者Xiong, Y.X, Fu, Z.Y, Huang, H.
登録日2021-12-26
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The substrate selectivity of papain-like proteases from human-infecting coronaviruses correlates with innate immune suppression.
Sci.Signal., 16, 2023
3HEK
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BU of 3hek by Molmil
HSP90 N-terminal domain in complex with 1-{4-[(2R)-1-(5-chloro-2,4-dihydroxybenzoyl)pyrrolidin-2-yl]benzyl}-3,3-difluoropyrrolidinium
分子名称: Heat shock protein HSP 90-alpha, PHOSPHATE ION, [(2~{R})-2-[4-[[3,3-bis(fluoranyl)pyrrolidin-1-yl]methyl]phenyl]pyrrolidin-1-yl]-[5-chloranyl-2,4-bis(oxidanyl)phenyl]methanone
著者Gajiwala, K.S.
登録日2009-05-08
公開日2009-09-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Solution-phase parallel synthesis of Hsp90 inhibitors
J.Comb.Chem., 11
7WWB
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BU of 7wwb by Molmil
Choline transporter-like protein 1
分子名称: CHOLESTEROL, CHOLINE ION, Choline transporter-like protein 1
著者Chi, X.M, Zhou, Q.
登録日2022-02-12
公開日2022-06-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Rational exploration of fold atlas for human solute carrier proteins.
Structure, 30, 2022
8JSW
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BU of 8jsw by Molmil
Human VMAT2 complex with serotonin
分子名称: SEROTONIN, Synaptic vesicular amine transporter
著者Jiang, D.H, Wu, D.
登録日2023-06-20
公開日2023-11-29
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
8JTC
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BU of 8jtc by Molmil
Human VMAT2 complex with reserpine
分子名称: Synaptic vesicular amine transporter, reserpine
著者Jiang, D.H, Wu, D.
登録日2023-06-21
公開日2023-11-29
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
8JT9
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BU of 8jt9 by Molmil
Human VMAT2 complex with ketanserin
分子名称: 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione, Synaptic vesicular amine transporter
著者Jiang, D.H, Wu, D.
登録日2023-06-21
公開日2023-11-29
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
8JTA
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BU of 8jta by Molmil
Human VMAT2 complex with tetrabenazine
分子名称: Synaptic vesicular amine transporter, tetrabenazine
著者Jiang, D.H, Wu, D.
登録日2023-06-21
公開日2023-11-29
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
8JP0
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BU of 8jp0 by Molmil
structure of human sodium-calciumexchanger NCX1
分子名称: 2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline, Sodium/calcium exchanger 1
著者Dong, Y, Zhao, Y.
登録日2023-06-09
公開日2024-01-03
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insight into the allosteric inhibition of human sodium-calcium exchanger NCX1 by XIP and SEA0400.
Embo J., 43, 2024
3K97
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BU of 3k97 by Molmil
HSP90 N-terminal domain in complex with 4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
分子名称: 4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha
著者Gajiwala, K.S.
登録日2009-10-15
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
3K98
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BU of 3k98 by Molmil
HSP90 N-terminal domain in complex with (1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide
分子名称: (1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide, Heat shock protein HSP 90-alpha, PHOSPHATE ION
著者Gajiwala, K.S, Davies II, J.F.
登録日2009-10-15
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
3K99
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BU of 3k99 by Molmil
HSP90 N-terminal domain in complex with 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol
分子名称: 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, Heat shock protein HSP 90-alpha
著者Gajiwala, K.S, Davies II, J.F.
登録日2009-10-15
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
4KV4
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BU of 4kv4 by Molmil
Brd4 Bromodomain 2 in Complex with Acetylated Rel Peptide
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bromodomain-containing protein 4, Rel Peptide
著者Zhang, H, Nair, S.K.
登録日2013-05-22
公開日2013-06-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Brd4 maintains constitutively active NF-kappa B in cancer cells by binding to acetylated RelA.
Oncogene, 33, 2014
4KV1
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BU of 4kv1 by Molmil
Crystal Structure of Brd4 Bromodomain 1 in Complex with Acetylated Rel Peptide
分子名称: Bromodomain-containing protein 4, Rel peptide
著者Zhang, H, Nair, S.K.
登録日2013-05-22
公開日2013-06-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Brd4 maintains constitutively active NF-kappa B in cancer cells by binding to acetylated RelA.
Oncogene, 33, 2014
7E20
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BU of 7e20 by Molmil
Cryo EM structure of a K+-bound Na+,K+-ATPase in the E2 state
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Guo, Y.Y, Zhang, Y.Y, Yan, R.H, Huang, B.D, Ye, F.F, Wu, L.S, Chi, X.M, Zhou, Q.
登録日2021-02-04
公開日2022-06-15
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structures of recombinant human sodium-potassium pump determined in three different states.
Nat Commun, 13, 2022
7E21
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BU of 7e21 by Molmil
Cryo EM structure of a Na+-bound Na+,K+-ATPase in the E1 state with ATP-gamma-S
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Guo, Y.Y, Zhang, Y.Y, Yan, R.H, Huang, B.D, Ye, F.F, Wu, L.S, Chi, X.M, Zhou, Q.
登録日2021-02-04
公開日2022-06-15
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structures of recombinant human sodium-potassium pump determined in three different states.
Nat Commun, 13, 2022
7E1Z
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BU of 7e1z by Molmil
Cryo EM structure of a Na+-bound Na+,K+-ATPase in the E1 state
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Guo, Y.Y, Zhang, Y.Y, Yan, R.H, Huang, B.D, Ye, F.F, Wu, L.S, Chi, X.M, Zhou, Q.
登録日2021-02-04
公開日2022-06-15
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures of recombinant human sodium-potassium pump determined in three different states.
Nat Commun, 13, 2022
4KT1
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BU of 4kt1 by Molmil
Complex of R-spondin 1 with LGR4 extracellular domain
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, Leucine-rich repeat-containing G-protein coupled receptor 4, ...
著者Wang, X.Q, Wang, D.L.
登録日2013-05-19
公開日2013-06-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Structural basis for R-spondin recognition by LGR4/5/6 receptors
Genes Dev., 27, 2013
8G4K
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BU of 8g4k by Molmil
Complex of TbRII mini protein binder bound to the TbRII ECD
分子名称: 5HCS_TGFBR2_1, SULFATE ION, TGF-beta receptor type-2
著者Schwartze, T.S, Hinck, A.P.
登録日2023-02-09
公開日2024-08-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Computational Design of High Affinity Binders to Convex Protein Target Sites
To be Published
8GAC
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BU of 8gac by Molmil
Crystal structure of a high affinity CTLA-4 binder
分子名称: 1,2-ETHANEDIOL, CTLA-4 binder
著者Yang, W, Almo, S.C, Baker, D, Ghosh, A.
登録日2023-02-22
公開日2024-08-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design of High Affinity Binders to Convex Protein Target Sites.
Biorxiv, 2024
8GAD
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BU of 8gad by Molmil
Crystal structure of a high affinity PD-L1 binder
分子名称: INDOLE, PD-L1 binder
著者Yang, W, Almo, S.C, Baker, D, Ghosh, A.
登録日2023-02-22
公開日2024-08-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Design of High Affinity Binders to Convex Protein Target Sites.
Biorxiv, 2024
8GAB
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BU of 8gab by Molmil
Crystal structure of CTLA-4 in complex with a high affinity CTLA-4 binder
分子名称: CTLA-4 binder, Cytotoxic T-lymphocyte protein 4, POTASSIUM ION
著者Yang, W, Almo, S.C, Baker, D, Ghosh, A.
登録日2023-02-22
公開日2024-08-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Design of High Affinity Binders to Convex Protein Target Sites.
Biorxiv, 2024
7FJD
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BU of 7fjd by Molmil
Cryo-EM structure of a membrane protein(WT)
分子名称: CHOLESTEROL, T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha chain constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, ...
著者Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z.
登録日2021-08-03
公開日2022-07-27
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cholesterol inhibits TCR signaling by directly restricting TCR-CD3 core tunnel motility.
Mol.Cell, 82, 2022
7FJF
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BU of 7fjf by Molmil
Cryo-EM structure of a membrane protein(CS)
分子名称: CHOLEST-5-EN-3-YL HYDROGEN SULFATE, T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha chain constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, ...
著者Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z.
登録日2021-08-03
公開日2022-07-27
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cholesterol inhibits TCR signaling by directly restricting TCR-CD3 core tunnel motility.
Mol.Cell, 82, 2022
7FJE
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BU of 7fje by Molmil
Cryo-EM structure of a membrane protein(LL)
分子名称: CHOLESTEROL, T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha chain constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, ...
著者Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z.
登録日2021-08-03
公開日2022-07-27
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cholesterol inhibits TCR signaling by directly restricting TCR-CD3 core tunnel motility.
Mol.Cell, 82, 2022
7WLK
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BU of 7wlk by Molmil
CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with Otilonium Bromide(OB)
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-[diethyl(methyl)-$l^{4}-azanyl]ethyl 4-[(2-octoxyphenyl)carbonylamino]benzoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y.
登録日2022-01-13
公開日2022-05-04
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022

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