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7CWX
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BU of 7cwx by Molmil
Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis
Descriptor: DI(HYDROXYETHYL)ETHER, Decarboxylase, GLYCEROL
Authors:Yu, X, Gong, M, Huang, J, Liu, W, Chen, C, Guo, R.
Deposit date:2020-09-01
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis
to be published
7CWY
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BU of 7cwy by Molmil
Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP
Descriptor: Decarboxylase
Authors:Yu, X, Gong, M, Huang, J, Liu, W, Chen, C, Guo, R.
Deposit date:2020-09-01
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP
to be published
7CX1
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BU of 7cx1 by Molmil
Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP and inhibitor methyl-tyrosine
Descriptor: 4-[(2R)-2-(methylamino)propyl]phenol, Decarboxylase
Authors:Yu, X, Gong, M, Huang, J, Liu, W, Chen, C, Guo, R.
Deposit date:2020-09-01
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP and inhibitor methyl-tyrosine
to be published
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
Descriptor: Decarboxylase, L-DOPAMINE, MAGNESIUM ION, ...
Authors:Yu, X, Gong, M, Huang, J, Liu, W, Chen, C, Guo, R.
Deposit date:2020-09-01
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis K392A mutant in complex with the cofactor PLP and L-dopa
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
Descriptor: 5.6 Fab heavy chain, 5.6 Fab light chain, beta-D-glucopyranose-(1-3)-beta-D-glucopyranuronic acid-(1-4)-beta-D-glucopyranose
Authors:Ozdilek, A, Huang, J, Paschall, A.V, Babb, R, Middleton, D.R, Duke, J.A, Pirofski, L, Mousa, J.J, Avci, F.Y.
Deposit date:2020-08-20
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Structural Model for the Ligand Binding of Pneumococcal Serotype 3 Capsular Polysaccharide-Specific Protective Antibodies.
Mbio, 12, 2021
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
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
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
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
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
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
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
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
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
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
4W6E
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BU of 4w6e by Molmil
Human Tankyrase 1 with small molecule inhibitor
Descriptor: 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION
Authors:Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T.
Deposit date:2014-08-20
Release date:2015-05-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
8XAI
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BU of 8xai by Molmil
Crystal structure of Protease CPAVM1 in Bacillus subtilis LjM2
Descriptor: Lipoprotein
Authors:Zhang, J, Wang, C.Y.
Deposit date:2023-12-04
Release date:2024-06-19
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Anti-influenza activity of CPAVM1 protease secreted by Bacillus subtilis LjM2.
Antiviral Res., 228, 2024
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
5KH5
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BU of 5kh5 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) IN COMPLEX WITH ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
Descriptor: Isoprenyl transferase, ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
Authors:Concha, N.O.
Deposit date:2016-06-14
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
5KH4
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BU of 5kh4 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) with FARNESYL DIPHOSPHATE
Descriptor: FARNESYL DIPHOSPHATE, Isoprenyl transferase
Authors:Concha, N.O.
Deposit date:2016-06-14
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
5KH2
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BU of 5kh2 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS)
Descriptor: Isoprenyl transferase
Authors:Concha, N.O.
Deposit date:2016-06-14
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016

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