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7CWZ
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BU of 7cwz by Molmil
Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis K392A mutant in complex with the cofactor PLP and L-dopa
分子名称: Decarboxylase, L-DOPAMINE, MAGNESIUM ION, ...
著者Yu, X, Gong, M, Huang, J, Liu, W, Chen, C, Guo, R.
登録日2020-09-01
公開日2021-09-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis K392A mutant in complex with the cofactor PLP and L-dopa
to be published
7CX1
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Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP and inhibitor methyl-tyrosine
分子名称: 4-[(2R)-2-(methylamino)propyl]phenol, Decarboxylase
著者Yu, X, Gong, M, Huang, J, Liu, W, Chen, C, Guo, R.
登録日2020-09-01
公開日2021-09-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP and inhibitor methyl-tyrosine
to be published
7CWX
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Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis
分子名称: DI(HYDROXYETHYL)ETHER, Decarboxylase, GLYCEROL
著者Yu, X, Gong, M, Huang, J, Liu, W, Chen, C, Guo, R.
登録日2020-09-01
公開日2021-09-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis
to be published
7JVD
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BU of 7jvd by Molmil
Fab of 5.6 monoclonal mouse IgG1 co-crystallized with the trisaccharide form of serotype 3 pneumococcal capsular polysaccharide
分子名称: 5.6 Fab heavy chain, 5.6 Fab light chain, beta-D-glucopyranose-(1-3)-beta-D-glucopyranuronic acid-(1-4)-beta-D-glucopyranose
著者Ozdilek, A, Huang, J, Paschall, A.V, Babb, R, Middleton, D.R, Duke, J.A, Pirofski, L, Mousa, J.J, Avci, F.Y.
登録日2020-08-20
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Structural Model for the Ligand Binding of Pneumococcal Serotype 3 Capsular Polysaccharide-Specific Protective Antibodies.
Mbio, 12, 2021
4USG
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BU of 4usg by Molmil
Crystal structure of PC4 W89Y mutant complex with DNA
分子名称: 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
著者Zhao, Y, Liu, J.
登録日2014-07-08
公開日2015-03-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.973 Å)
主引用文献Substitution of Tryptophan 89 with Tyrosine Switches the DNA Binding Mode of Pc4.
Sci.Rep., 5, 2015
6B0T
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BU of 6b0t by Molmil
Structural Insights into the Induced-fit Inhibition of Fascin by a Small Molecule
分子名称: 4-methyl-N-(1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indazol-3-yl)-1,2-oxazole-5-carboxamide, Fascin
著者Dey, R, Huang, X.Y.
登録日2017-09-15
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Insights into the Induced-fit Inhibition of Fascin by a Small-Molecule Inhibitor.
J. Mol. Biol., 430, 2018
4GPO
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BU of 4gpo by Molmil
Oligomeic Turkey Beta1-Adrenergic G Protein-Coupled Receptor
分子名称: Beta-1 adrenergic receptor
著者Huang, J.J, Chen, S, Zhang, J.J, Huang, X.Y.
登録日2012-08-21
公開日2013-02-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献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
分子名称: 35O22 Fab Heavy chain, 35O22 Fab Light chain
著者Pancera, M, Kwong, P.D.
登録日2014-06-06
公開日2014-09-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Broad and potent HIV-1 neutralization by a human antibody that binds the gp41-gp120 interface.
Nature, 515, 2014
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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhou, T, Kwong, P.D.
登録日2016-09-20
公開日2016-11-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Identification of a CD4-Binding-Site Antibody to HIV that Evolved Near-Pan Neutralization Breadth.
Immunity, 45, 2016
6OWJ
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Zn-mediated polymerization of human SFPQ
分子名称: Splicing factor, proline- and glutamine-rich, ZINC ION
著者Lee, M.
登録日2019-05-10
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural basis of the zinc-induced cytoplasmic aggregation of the RNA-binding protein SFPQ.
Nucleic Acids Res., 48, 2020
5WPA
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BU of 5wpa by Molmil
Structure of human SFPQ/PSPC1 heterodimer
分子名称: Paraspeckle component 1, Splicing factor, proline- and glutamine-rich
著者Lee, M.
登録日2017-08-04
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structure of a SFPQ/PSPC1 heterodimer provides insights into preferential heterodimerization of human DBHS family proteins.
J. Biol. Chem., 293, 2018
5YZ9
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BU of 5yz9 by Molmil
zinc finger domain of METTL3-METTL14 N6-methyladenosine methyltransferase
分子名称: N6-adenosine-methyltransferase catalytic subunit, ZINC ION
著者Dong, X, Tang, C, Gong, Z, Yin, P, Huang, J.B.
登録日2017-12-13
公開日2018-03-28
最終更新日2024-05-01
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献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
分子名称: WCI
著者Tan, W.L, Wong, K.H, Huang, J.Y, Tay, S.V, Wang, S.J.
登録日2019-02-20
公開日2020-02-26
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Identification and characterization of a wolfberry carboxypeptidase inhibitor from Lycium barbarum.
Food Chem, 351, 2021
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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Heavy chain of N6, ...
著者Zhou, T, Kwong, P.D.
登録日2016-09-20
公開日2016-11-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of a CD4-Binding-Site Antibody to HIV that Evolved Near-Pan Neutralization Breadth.
Immunity, 45, 2016
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
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Zhou, T, Kwong, P.D.
登録日2016-09-20
公開日2016-11-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of a CD4-Binding-Site Antibody to HIV that Evolved Near-Pan Neutralization Breadth.
Immunity, 45, 2016
7CRZ
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BU of 7crz by Molmil
Crystal structure of human glucose transporter GLUT3 bound with C3361
分子名称: (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, ...
著者Yuan, Y.Y, Zhang, S, Wang, N, Jiang, X, Yan, N.
登録日2020-08-14
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Orthosteric-allosteric dual inhibitors of PfHT1 as selective antimalarial agents.
Proc.Natl.Acad.Sci.USA, 118, 2021
4W6E
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BU of 4w6e by Molmil
Human Tankyrase 1 with small molecule inhibitor
分子名称: 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION
著者Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T.
登録日2014-08-20
公開日2015-05-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
8IGO
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BU of 8igo by Molmil
Crystal structure of apo SARS-CoV-2 main protease
分子名称: 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
8IGN
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BU of 8ign by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with RAY1216
分子名称: (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
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
8WE8
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BU of 8we8 by Molmil
Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine, amlodipine and pinaverium at 2.9 Angstrom resolution
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 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Gao, S, Yao, X, Yan, N.
登録日2023-09-17
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
8WE7
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Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine at 3.2 Angstrom resolution
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2023-09-17
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
8WE6
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BU of 8we6 by Molmil
Human L-type voltage-gated calcium channel Cav1.2 at 2.9 Angstrom resolution
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 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Gao, S, Yao, X, Yan, N.
登録日2023-09-17
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
8WE9
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Human L-type voltage-gated calcium channel Cav1.2 (Class I) in the presence of pinaverium at 3.0 Angstrom resolution
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 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Gao, S, Yao, X, Fan, X, Yan, N.
登録日2023-09-17
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
8WEA
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Human L-type voltage-gated calcium channel Cav1.2 (Class II) in the presence of pinaverium at 3.2 Angstrom resolution
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 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Gao, S, Yao, X, Fan, X, Yan, N.
登録日2023-09-17
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
5JO5
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Crystal structure of 10E8 gHV-gLV antigen-binding fragment.
分子名称: 10E8 gHV, 10E8 gLV
著者Joyce, M.G, Mascola, J.R, Kwong, P.D.
登録日2016-05-02
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Developmental Pathway of the MPER-Directed HIV-1-Neutralizing Antibody 10E8.
Plos One, 11, 2016

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