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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
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
7C29
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BU of 7c29 by Molmil
Esterase CrmE10 mutant-D178A
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Li, Z, Li, J.
Deposit date:2020-05-07
Release date:2020-05-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
8W5K
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BU of 8w5k by Molmil
Cryo-EM structure of the yeast TOM core complex crosslinked by BS3 (from TOM-TIM23 complex)
Descriptor: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ...
Authors:Wang, Q, Guan, Z.Y, Zhuang, J.J, Huang, R, Yin, P.
Deposit date:2023-08-27
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The architecture of substrate-engaged TOM-TIM23 supercomplex reveals preprotein proximity sites for mitochondrial protein translocation.
Cell Discov, 10, 2024
8W5J
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BU of 8w5j by Molmil
Cryo-EM structure of the yeast TOM core complex (from TOM-TIM23 complex)
Descriptor: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ...
Authors:Wang, Q, Guan, Z.Y, Zhuang, J.J, Huang, R, Yin, P.
Deposit date:2023-08-27
Release date:2024-02-28
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:The architecture of substrate-engaged TOM-TIM23 supercomplex reveals preprotein proximity sites for mitochondrial protein translocation.
Cell Discov, 10, 2024
4TVP
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BU of 4tvp by Molmil
Crystal Structure of the HIV-1 BG505 SOSIP.664 Env Trimer Ectodomain, Comprising Atomic-Level Definition of Pre-Fusion gp120 and gp41, in Complex with Human Antibodies PGT122 and 35O22
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Heavy chain, ...
Authors:Pancera, M, Zhou, T, Kwong, P.D.
Deposit date:2014-06-27
Release date:2014-10-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure and immune recognition of trimeric pre-fusion HIV-1 Env.
Nature, 514, 2014
8WE6
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BU of 8we6 by Molmil
Human L-type voltage-gated calcium channel Cav1.2 at 2.9 Angstrom resolution
Descriptor: 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, ...
Authors:Gao, S, Yao, X, Yan, N.
Deposit date:2023-09-17
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
8WE9
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BU of 8we9 by Molmil
Human L-type voltage-gated calcium channel Cav1.2 (Class I) in the presence of pinaverium at 3.0 Angstrom resolution
Descriptor: 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, ...
Authors:Gao, S, Yao, X, Fan, X, Yan, N.
Deposit date:2023-09-17
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
8WEA
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BU of 8wea by Molmil
Human L-type voltage-gated calcium channel Cav1.2 (Class II) in the presence of pinaverium at 3.2 Angstrom resolution
Descriptor: (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, ...
Authors:Gao, S, Yao, X, Fan, X, Yan, N.
Deposit date:2023-09-17
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
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
Descriptor: 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, ...
Authors:Gao, S, Yao, X, Yan, N.
Deposit date:2023-09-17
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
8WE7
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BU of 8we7 by Molmil
Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine at 3.2 Angstrom resolution
Descriptor: 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, ...
Authors:Gao, S, Yao, X, Yan, N.
Deposit date:2023-09-17
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
7BW1
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BU of 7bw1 by Molmil
Crystal structure of Steroid 5-alpha-reductase 2 in complex with Finasteride
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-oxo-5-alpha-steroid 4-dehydrogenase 2, SULFATE ION, ...
Authors:Xiao, Q, Zhang, C, Wei, Z.
Deposit date:2020-04-13
Release date:2020-08-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of human steroid 5 alpha-reductase 2 with anti-androgen drug finasteride.
Res Sq, 2020
7BV7
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BU of 7bv7 by Molmil
INTS3 complexed with INTS6
Descriptor: Integrator complex subunit 3, Integrator complex subunit 6
Authors:Jia, Y, Bharath, S.R, Song, H.
Deposit date:2020-04-09
Release date:2021-07-14
Last modified:2022-07-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the INTS3/INTS6 complex reveals the functional importance of INTS3 dimerization in DSB repair.
Cell Discov, 7, 2021
7BED
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BU of 7bed by Molmil
X-ray structure of WDR5 bound to the WDR5 win motif peptide
Descriptor: SULFATE ION, WD repeat-containing protein 5
Authors:McVey, C.E, Kaye, K.M.
Deposit date:2020-12-23
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:MLL1 is regulated by KSHV LANA and is important for virus latency.
Nucleic Acids Res., 49, 2021
7BCY
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BU of 7bcy by Molmil
X-ray structure of WDR5delta24 bound to the Kaposi's sarcoma herpesvirus LANA win motif peptide
Descriptor: ORF 73, WD repeat-containing protein 5
Authors:McVey, C.E, Kaye, K.M.
Deposit date:2020-12-21
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:MLL1 is regulated by KSHV LANA and is important for virus latency.
Nucleic Acids Res., 49, 2021

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