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9AYK
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BU of 9ayk by Molmil
Cryo-EM structure of human Cav3.2 with ML218
Descriptor: 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,5-dichloro-N-{[(1R,5S,6r)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl}benzamide, ...
Authors:Fan, X, Huang, J, Yan, N.
Deposit date:2024-03-08
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for human Ca v 3.2 inhibition by selective antagonists.
Cell Res., 2024
9AYG
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BU of 9ayg by Molmil
Cryo-EM structure of apo state human Cav3.2
Descriptor: 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Fan, X, Huang, J, Yan, N.
Deposit date:2024-03-07
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for human Ca v 3.2 inhibition by selective antagonists.
Cell Res., 2024
9AYH
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BU of 9ayh by Molmil
Cryo-EM structure of human Cav3.2 with TTA-A2
Descriptor: 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(4-cyclopropylphenyl)-N-{(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl}acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fan, X, Huang, J, Yan, N.
Deposit date:2024-03-07
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for human Ca v 3.2 inhibition by selective antagonists.
Cell Res., 2024
8T1R
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BU of 8t1r by Molmil
Crystal structure of human CPSF73 catalytic segment in complex with compound 2
Descriptor: 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ...
Authors:Huang, J, Tong, L.
Deposit date:2023-06-02
Release date:2023-11-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3.
Cell Chem Biol, 31, 2024
8T1Q
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BU of 8t1q by Molmil
Crystal structure of human CPSF73 catalytic segment in complex with compound 1
Descriptor: 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ...
Authors:Huang, J, Tong, L.
Deposit date:2023-06-02
Release date:2023-11-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3.
Cell Chem Biol, 31, 2024
8THH
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BU of 8thh by Molmil
Cryo-EM structure of Nav1.7 with LTG
Descriptor: (6M)-6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Fan, X, Huang, J, Yan, N.
Deposit date:2023-07-16
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Dual-pocket inhibition of Na v channels by the antiepileptic drug lamotrigine.
Proc.Natl.Acad.Sci.USA, 120, 2023
8THG
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BU of 8thg by Molmil
Cryo-EM structure of Nav1.7 with RLZ
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fan, X, Huang, J, Yan, N.
Deposit date:2023-07-16
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Dual-pocket inhibition of Na v channels by the antiepileptic drug lamotrigine.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EJM
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BU of 8ejm by Molmil
Crystal structure of human DEAH-box helicase DHX15 in complex with SUGP1 G-patch
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DHX15, CHLORIDE ION, ...
Authors:Huang, J, Tong, L.
Deposit date:2022-09-17
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:DHX15 is involved in SUGP1-mediated RNA missplicing by mutant SF3B1 in cancer.
Proc.Natl.Acad.Sci.USA, 119, 2022
5BPP
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BU of 5bpp by Molmil
Structure of human Leukotriene A4 hydrolase in complex with inhibitor 4AZ
Descriptor: 2-(4-butoxyphenyl)-N-hydroxyacetamide, ACETATE ION, Leukotriene A-4 hydrolase, ...
Authors:Huang, J, Dong, N.N, Xiao, Q, Ou, P.Y, Wu, D, Lu, W.Q.
Deposit date:2015-05-28
Release date:2016-08-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Bufexamac ameliorates LPS-induced acute lung injury in mice by targeting LTA4H
Sci Rep, 6, 2016
4XX0
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BU of 4xx0 by Molmil
CoA bound to pig GTP-specific succinyl-CoA synthetase
Descriptor: COENZYME A, GLYCEROL, PHOSPHATE ION, ...
Authors:Fraser, M.E, Huang, J, Malhi, M.
Deposit date:2015-01-29
Release date:2015-08-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of GTP-specific succinyl-CoA synthetase in complex with CoA.
Acta Crystallogr.,Sect.F, 71, 2015
8E15
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BU of 8e15 by Molmil
A computationally stabilized hMPV F protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, F1 protein with Fibritin peptide, F2 protein, ...
Authors:Huang, J, Gonzalez, K, Mousa, J, Strauch, E.
Deposit date:2022-08-09
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:A general computational design strategy for stabilizing viral class I fusion proteins.
Biorxiv, 2023
8FBC
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BU of 8fbc by Molmil
Crystal structure of P450T2
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pereira, J.H, Huang, J, Keasling, J, Adams, P.D.
Deposit date:2022-11-29
Release date:2023-05-10
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Complete integration of carbene-transfer chemistry into biosynthesis.
Nature, 617, 2023
8G1A
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BU of 8g1a by Molmil
Cryo-EM structure of Nav1.7 with CBD
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Fan, X, Huang, J, Yan, N.
Deposit date:2023-02-01
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cannabidiol inhibits Na v channels through two distinct binding sites.
Nat Commun, 14, 2023
5HC0
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BU of 5hc0 by Molmil
Structure of esterase Est22 with p-nitrophenol
Descriptor: ACETIC ACID, GLYCEROL, Lipolytic enzyme, ...
Authors:Li, J, Huang, J.
Deposit date:2016-01-04
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural insights of a hormone sensitive lipase homologue Est22.
Sci Rep, 6, 2016
5HC2
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BU of 5hc2 by Molmil
Structure of esterase Est22 mutant-S188A with p-nitrophenol
Descriptor: IMIDAZOLE, Lipolytic enzyme, P-NITROPHENOL
Authors:Li, J, Huang, J.
Deposit date:2016-01-04
Release date:2017-01-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Structural insights of a hormone sensitive lipase homologue Est22.
Sci Rep, 6, 2016
5HC3
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BU of 5hc3 by Molmil
The structure of esterase Est22
Descriptor: GLYCEROL, Lipolytic enzyme
Authors:Li, J, Huang, J.
Deposit date:2016-01-04
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights of a hormone sensitive lipase homologue Est22.
Sci Rep, 6, 2016
6NTF
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BU of 6ntf by Molmil
Crystal structure of a computationally optimized H5 influenza hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Huang, J, Bar-Peled, Y, Mousa, J.J.
Deposit date:2019-01-29
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and antigenic characterization of a computationally-optimized H5 hemagglutinin influenza vaccine.
Vaccine, 37, 2019
5HC4
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BU of 5hc4 by Molmil
Structure of esterase Est22
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Lipolytic enzyme
Authors:Li, J, Huang, J.
Deposit date:2016-01-04
Release date:2017-01-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights of a hormone sensitive lipase homologue Est22.
Sci Rep, 6, 2016
5HC5
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BU of 5hc5 by Molmil
The structure of esterase Est22 mutant-S188A
Descriptor: Lipolytic enzyme
Authors:Li, J, Huang, J.
Deposit date:2016-01-04
Release date:2017-01-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural insights of a hormone sensitive lipase homologue Est22.
Sci Rep, 6, 2016
3CH8
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BU of 3ch8 by Molmil
The crystal structure of PDZ-Fibronectin fusion protein
Descriptor: C-terminal octapeptide from protein ARVCF, MAGNESIUM ION, fusion protein PDZ-Fibronectin,Fibronectin
Authors:Makabe, K, Huang, J, Koide, A, Koide, S.
Deposit date:2008-03-08
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for exquisite specificity of affinity clamps, synthetic binding proteins generated through directed domain-interface evolution.
J.Mol.Biol., 392, 2009
8JB4
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BU of 8jb4 by Molmil
lipopolysaccharide-binding domain-LBDB
Descriptor: Antilipopolysaccharide factor D
Authors:Huang, J, Qin, Z.
Deposit date:2023-05-08
Release date:2024-03-13
Method:SOLUTION NMR
Cite:Machine learning and genetic algorithm-guided directed evolution for the development of small-molecule antibiotics originating from antimicrobial peptides
To Be Published
5C13
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BU of 5c13 by Molmil
Crystal Structure of TAF3 PHD finger bound to histone H3C4me3 peptide
Descriptor: H3 peptide, Transcription initiation factor TFIID subunit 3, ZINC ION
Authors:Li, H, Huang, J.
Deposit date:2015-06-12
Release date:2015-11-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Crystal Structure of Jarid1a PHD finger bound to histone H3C4me3 peptide
Nat Commun, 2015
4I80
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BU of 4i80 by Molmil
Crystal structure of human menin in complex with a high-affinity macrocyclic peptidomimetics
Descriptor: Menin, macrocyclic peptidomimetic
Authors:Huang, J, Lei, M.
Deposit date:2012-12-01
Release date:2013-03-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Based Design of High-Affinity Macrocyclic Peptidomimetics to Block the Menin-Mixed Lineage Leukemia 1 (MLL1) Protein-Protein Interaction.
J.Med.Chem., 56, 2013
5H2Z
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BU of 5h2z by Molmil
Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with 7GF
Descriptor: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Wu, D, Huang, J.
Deposit date:2016-10-19
Release date:2017-03-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with 7GF
To Be Published
5GP4
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BU of 5gp4 by Molmil
Lactobacillus brevis CGMCC 1306 Glutamate decarboxylase
Descriptor: Glutamate decarboxylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Mei, L, Huang, J.
Deposit date:2016-07-31
Release date:2017-08-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Lactobacillus brevis CGMCC 1306 glutamate decarboxylase: Crystal structure and functional analysis.
Biochem. Biophys. Res. Commun., 503, 2018

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PDB entries from 2024-05-01

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