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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
Descriptor: 1,2-ETHANEDIOL, 60S ribosomal protein L40, Papain-like protease, ...
Authors:Xiong, Y.X, Fu, Z.Y, Huang, H.
Deposit date:2021-12-26
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 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
Authors:Gajiwala, K.S.
Deposit date:2009-05-08
Release date:2009-09-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: CHOLESTEROL, CHOLINE ION, Choline transporter-like protein 1
Authors:Chi, X.M, Zhou, Q.
Deposit date:2022-02-12
Release date:2022-06-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite: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
Descriptor: SEROTONIN, Synaptic vesicular amine transporter
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-20
Release date:2023-11-29
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite: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
Descriptor: Synaptic vesicular amine transporter, reserpine
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite: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
Descriptor: 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione, Synaptic vesicular amine transporter
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite: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
Descriptor: Synaptic vesicular amine transporter, tetrabenazine
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite: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
Descriptor: 2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline, Sodium/calcium exchanger 1
Authors:Dong, Y, Zhao, Y.
Deposit date:2023-06-09
Release date:2024-01-03
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
Descriptor: 4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha
Authors:Gajiwala, K.S.
Deposit date:2009-10-15
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: (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
Authors:Gajiwala, K.S, Davies II, J.F.
Deposit date:2009-10-15
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Gajiwala, K.S, Davies II, J.F.
Deposit date:2009-10-15
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bromodomain-containing protein 4, Rel Peptide
Authors:Zhang, H, Nair, S.K.
Deposit date:2013-05-22
Release date:2013-06-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Bromodomain-containing protein 4, Rel peptide
Authors:Zhang, H, Nair, S.K.
Deposit date:2013-05-22
Release date:2013-06-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: 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, ...
Authors:Guo, Y.Y, Zhang, Y.Y, Yan, R.H, Huang, B.D, Ye, F.F, Wu, L.S, Chi, X.M, Zhou, Q.
Deposit date:2021-02-04
Release date:2022-06-15
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite: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
Descriptor: 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, ...
Authors:Guo, Y.Y, Zhang, Y.Y, Yan, R.H, Huang, B.D, Ye, F.F, Wu, L.S, Chi, X.M, Zhou, Q.
Deposit date:2021-02-04
Release date:2022-06-15
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite: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
Descriptor: 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, ...
Authors:Guo, Y.Y, Zhang, Y.Y, Yan, R.H, Huang, B.D, Ye, F.F, Wu, L.S, Chi, X.M, Zhou, Q.
Deposit date:2021-02-04
Release date:2022-06-15
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: 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, ...
Authors:Wang, X.Q, Wang, D.L.
Deposit date:2013-05-19
Release date:2013-06-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.497 Å)
Cite: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
Descriptor: 5HCS_TGFBR2_1, SULFATE ION, TGF-beta receptor type-2
Authors:Schwartze, T.S, Hinck, A.P.
Deposit date:2023-02-09
Release date:2024-08-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.24 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CTLA-4 binder
Authors:Yang, W, Almo, S.C, Baker, D, Ghosh, A.
Deposit date:2023-02-22
Release date:2024-08-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: INDOLE, PD-L1 binder
Authors:Yang, W, Almo, S.C, Baker, D, Ghosh, A.
Deposit date:2023-02-22
Release date:2024-08-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.88 Å)
Cite: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
Descriptor: CTLA-4 binder, Cytotoxic T-lymphocyte protein 4, POTASSIUM ION
Authors:Yang, W, Almo, S.C, Baker, D, Ghosh, A.
Deposit date:2023-02-22
Release date:2024-08-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.72 Å)
Cite: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)
Descriptor: 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, ...
Authors:Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z.
Deposit date:2021-08-03
Release date:2022-07-27
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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)
Descriptor: 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, ...
Authors:Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z.
Deposit date:2021-08-03
Release date:2022-07-27
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite: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)
Descriptor: 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, ...
Authors:Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z.
Deposit date:2021-08-03
Release date:2022-07-27
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3 Å)
Cite: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)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-[diethyl(methyl)-$l^{4}-azanyl]ethyl 4-[(2-octoxyphenyl)carbonylamino]benzoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y.
Deposit date:2022-01-13
Release date:2022-05-04
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022

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