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7Y7V
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BU of 7y7v by Molmil
Cryo-EM structure of human apo GABA transporter GAT1 in an inward-open state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Sodium- and chloride-dependent GABA transporter 1
Authors:Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C.
Deposit date:2022-06-22
Release date:2023-04-26
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Molecular basis for substrate recognition and transport of human GABA transporter GAT1.
Nat.Struct.Mol.Biol., 30, 2023
7JJO
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BU of 7jjo by Molmil
Structural Basis of the Activation of Heterotrimeric Gs-protein by Isoproterenol-bound Beta1-Adrenergic Receptor
Descriptor: Beta1-Adrenergic Receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Su, M, Zhu, L, Zhang, Y, Paknejad, N, Dey, R, Huang, J, Lee, M.Y, Williams, D, Jordan, K.D, Eng, E.T, Ernst, O.P, Meyerson, J.R, Hite, R.K, Walz, T, Liu, W, Huang, X.Y.
Deposit date:2020-07-27
Release date:2020-09-02
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural Basis of the Activation of Heterotrimeric Gs-Protein by Isoproterenol-Bound beta 1 -Adrenergic Receptor.
Mol.Cell, 80, 2020
2JZI
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BU of 2jzi by Molmil
Structure of Calmodulin complexed with the Calmodulin Binding Domain of Calcineurin
Descriptor: CALCIUM ION, Calmodulin, Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform
Authors:Chyan, C, Huang, J, Irene, D, Lin, T.
Deposit date:2008-01-09
Release date:2009-01-13
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of Calmodulin complexed with the Calmodulin Binding Domain of Calcineurin
To be Published
7DW5
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BU of 7dw5 by Molmil
Crystal structure of DUX4 HD1-HD2 domain complexed with ERG sites
Descriptor: BROMIDE ION, DNA (5'-D(P*CP*GP*AP*CP*TP*TP*GP*AP*TP*GP*AP*GP*AP*TP*TP*AP*GP*AP*CP*TP*G)-3'), Double homeobox protein 4-like protein 2
Authors:Zhang, H, Cheng, N, Li, Z, Zhang, W, Dong, X, Huang, J, Meng, G.
Deposit date:2021-01-15
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:DNA crosslinking and recombination-activating genes 1/2 (RAG1/2) are required for oncogenic splicing in acute lymphoblastic leukemia.
Cancer Commun (Lond), 41, 2021
7E3M
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BU of 7e3m by Molmil
RORgamma LBD complexed with Panaxatriol and SRC2.2
Descriptor: (3R,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Nuclear receptor ROR-gamma
Authors:Liu, Z.H, Huang, J, Lu, W.Q, Tang, Y, Wu, Z.R.
Deposit date:2021-02-09
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of human RORgammat LBD with SRC2.2 at 2.80 Angstroms resolution
To Be Published
7L83
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BU of 7l83 by Molmil
NMR solution structure of Nav1.5 DIV S3b-S4a paddle motif in DPC micelle
Descriptor: Sodium channel protein type 5 subunit alpha
Authors:Hussein, A.K, Bhuiyan, M.H, Arshava, B, Zhuang, J, Poget, S.F.
Deposit date:2020-12-30
Release date:2021-06-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR solution structure and analysis of isolated S3b-S4a motif of repeat IV of the human cardiac sodium channel
Biorxiv, 2021
7W80
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BU of 7w80 by Molmil
Crystal Structure of the Heterodimeric HIF-2 in Complex with Antagonist Belzutifan
Descriptor: 3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Ren, X, Diao, X, Zhuang, J, Wu, D.
Deposit date:2021-12-07
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.754 Å)
Cite:Structural basis for the allosteric inhibition of hypoxia-inducible factor (HIF)-2 by belzutifan.
Mol.Pharmacol., 2022
4USG
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BU of 4usg by Molmil
Crystal structure of PC4 W89Y mutant complex with DNA
Descriptor: 5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP *TP*TP*TP*TP*TP*G)-3', ACTIVATED RNA POLYMERASE II TRANSCRIPTIONAL COACTIVATOR P15
Authors:Zhao, Y, Liu, J.
Deposit date:2014-07-08
Release date:2015-03-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Substitution of Tryptophan 89 with Tyrosine Switches the DNA Binding Mode of Pc4.
Sci.Rep., 5, 2015
4GPO
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BU of 4gpo by Molmil
Oligomeic Turkey Beta1-Adrenergic G Protein-Coupled Receptor
Descriptor: Beta-1 adrenergic receptor
Authors:Huang, J.J, Chen, S, Zhang, J.J, Huang, X.Y.
Deposit date:2012-08-21
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of oligomeric beta-1-adrenergic G protein-coupled receptors in ligand-free basal state.
Nat.Struct.Mol.Biol., 20, 2013
4TOY
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BU of 4toy by Molmil
Structure of 35O22 Fab, a HIV-1 neutralizing antibody
Descriptor: 35O22 Fab Heavy chain, 35O22 Fab Light chain
Authors:Pancera, M, Kwong, P.D.
Deposit date:2014-06-06
Release date:2014-09-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Broad and potent HIV-1 neutralization by a human antibody that binds the gp41-gp120 interface.
Nature, 515, 2014
6B0T
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BU of 6b0t by Molmil
Structural Insights into the Induced-fit Inhibition of Fascin by a Small Molecule
Descriptor: 4-methyl-N-(1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indazol-3-yl)-1,2-oxazole-5-carboxamide, Fascin
Authors:Dey, R, Huang, X.Y.
Deposit date:2017-09-15
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Insights into the Induced-fit Inhibition of Fascin by a Small-Molecule Inhibitor.
J. Mol. Biol., 430, 2018
5TE7
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BU of 5te7 by Molmil
Crystal Structure of Broadly Neutralizing VRC01-class Antibody N6 in Complex with HIV-1 Clade C Strain DU172.17 gp120 Core
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2016-09-20
Release date:2016-11-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of a CD4-Binding-Site Antibody to HIV that Evolved Near-Pan Neutralization Breadth.
Immunity, 45, 2016
5TE4
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BU of 5te4 by Molmil
Crystal Structure of Broadly Neutralizing VRC01-class Antibody N6 in Complex with HIV-1 Clade G Strain X2088 gp120 Core
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2016-09-20
Release date:2016-11-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Identification of a CD4-Binding-Site Antibody to HIV that Evolved Near-Pan Neutralization Breadth.
Immunity, 45, 2016
5TE6
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BU of 5te6 by Molmil
Crystal Structure of Broadly Neutralizing VRC01-class Antibody N6 in Complex with HIV-1 Clade AE Strain 93TH057 gp120 Core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Heavy chain of N6, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2016-09-20
Release date:2016-11-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of a CD4-Binding-Site Antibody to HIV that Evolved Near-Pan Neutralization Breadth.
Immunity, 45, 2016
6OWJ
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BU of 6owj by Molmil
Zn-mediated polymerization of human SFPQ
Descriptor: Splicing factor, proline- and glutamine-rich, ZINC ION
Authors:Lee, M.
Deposit date:2019-05-10
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis of the zinc-induced cytoplasmic aggregation of the RNA-binding protein SFPQ.
Nucleic Acids Res., 48, 2020
5YZ9
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BU of 5yz9 by Molmil
zinc finger domain of METTL3-METTL14 N6-methyladenosine methyltransferase
Descriptor: N6-adenosine-methyltransferase catalytic subunit, ZINC ION
Authors:Dong, X, Tang, C, Gong, Z, Yin, P, Huang, J.B.
Deposit date:2017-12-13
Release date:2018-03-28
Last modified:2024-05-01
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Solution structure of the RNA recognition domain of METTL3-METTL14 N6-methyladenosine methyltransferase.
Protein Cell, 10, 2019
6JIC
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BU of 6jic by Molmil
Identification and Characterization of a carboxypeptidase inhibitor from Lycium barbarum
Descriptor: WCI
Authors:Tan, W.L, Wong, K.H, Huang, J.Y, Tay, S.V, Wang, S.J.
Deposit date:2019-02-20
Release date:2020-02-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Identification and characterization of a wolfberry carboxypeptidase inhibitor from Lycium barbarum.
Food Chem, 351, 2021
5WPA
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BU of 5wpa by Molmil
Structure of human SFPQ/PSPC1 heterodimer
Descriptor: Paraspeckle component 1, Splicing factor, proline- and glutamine-rich
Authors:Lee, M.
Deposit date:2017-08-04
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structure of a SFPQ/PSPC1 heterodimer provides insights into preferential heterodimerization of human DBHS family proteins.
J. Biol. Chem., 293, 2018
7CRZ
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BU of 7crz by Molmil
Crystal structure of human glucose transporter GLUT3 bound with C3361
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Solute carrier family 2, ...
Authors:Yuan, Y.Y, Zhang, S, Wang, N, Jiang, X, Yan, N.
Deposit date:2020-08-14
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Orthosteric-allosteric dual inhibitors of PfHT1 as selective antimalarial agents.
Proc.Natl.Acad.Sci.USA, 118, 2021
5I8E
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BU of 5i8e by Molmil
Crystal Structure of Broadly Neutralizing HIV-1 Fusion Peptide-Targeting Antibody VRC34.01 Fab
Descriptor: VRC34.01 Fab heavy chain, VRC34.01 Fab light chain, ZINC ION
Authors:Xu, K, Zhou, T, Liu, K, Kwong, P.D.
Deposit date:2016-02-18
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.655 Å)
Cite:Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody.
Science, 352, 2016
5I8C
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BU of 5i8c by Molmil
Crystal Structure of HIV-1 Clade A BG505 Fusion Peptide (residue 512-520) in Complex with Broadly Neutralizing Antibody VRC34.01 Fab
Descriptor: HIV-1 Clade A BG505 Fusion Peptide (residue 512-520), VRC34.01 Fab heavy chain, VRC34.01 Fab light chain
Authors:Xu, K, Zhou, T, Liu, K, Kwong, P.D.
Deposit date:2016-02-18
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody.
Science, 352, 2016
4W5S
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BU of 4w5s by Molmil
Tankyrase in complex with compound
Descriptor: 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, GLYCEROL, Tankyrase-1, ...
Authors:Johannes, J, Kazmirski, S.L, Boriack-Sjodin, P.A, Howard, T.
Deposit date:2014-08-18
Release date:2015-05-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
5IQ7
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BU of 5iq7 by Molmil
Crystal structure of 10E8-S74W Fab in complex with an HIV-1 gp41 peptide.
Descriptor: 10E8-S74W Heavy Chain, 10E8-S74W Light Chain, gp41 MPER peptide
Authors:Ofek, G, Kwon, Y.D, Caruso, W, Kwong, P.D.
Deposit date:2016-03-10
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2869 Å)
Cite:Optimization of the Solubility of HIV-1-Neutralizing Antibody 10E8 through Somatic Variation and Structure-Based Design.
J.Virol., 90, 2016
8IGN
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BU of 8ign by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with RAY1216
Descriptor: (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5
Authors:Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
Deposit date:2023-02-21
Release date:2023-04-05
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
8IGO
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BU of 8igo by Molmil
Crystal structure of apo SARS-CoV-2 main protease
Descriptor: 3C-like proteinase nsp5
Authors:Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
Deposit date:2023-02-21
Release date:2023-04-05
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024

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數據於2024-07-17公開中

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