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6ACB
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BU of 6acb by Molmil
Crystal structure of PDE5 in complex with inhibitor LW1805
Descriptor: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ...
Authors:Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B.
Deposit date:2018-07-26
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
4DNV
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BU of 4dnv by Molmil
Crystal structure of the W285F mutant of UVB-resistance protein UVR8
Descriptor: AT5g63860/MGI19_6
Authors:Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Zhang, J, Wang, J, Shi, Y.
Deposit date:2012-02-09
Release date:2012-03-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Structural basis of ultraviolet-B perception by UVR8.
Nature, 484, 2012
4DNU
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BU of 4dnu by Molmil
Crystal structure of the W285A mutant of UVB-resistance protein UVR8
Descriptor: AT5g63860/MGI19_6
Authors:Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Zhang, J, Wang, J, Shi, Y.
Deposit date:2012-02-09
Release date:2012-03-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.764 Å)
Cite:Structural basis of ultraviolet-B perception by UVR8.
Nature, 484, 2012
7XBK
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BU of 7xbk by Molmil
Structure and mechanism of a mitochondrial AAA+ disaggregase CLPB
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Isoform 2 of Caseinolytic peptidase B protein homolog, MAGNESIUM ION, ...
Authors:Wu, D, Liu, Y, Dai, Y, Wang, G, Lu, G, Chen, Y, Li, N, Lin, J, Gao, N.
Deposit date:2022-03-21
Release date:2023-01-25
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Comprehensive structural characterization of the human AAA+ disaggregase CLPB in the apo- and substrate-bound states reveals a unique mode of action driven by oligomerization.
Plos Biol., 21, 2023
5SY5
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BU of 5sy5 by Molmil
Crystal Structure of the Heterodimeric NPAS1-ARNT Complex
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Neuronal PAS domain-containing protein 1
Authors:Wu, D, Su, X, Potluri, N, Kim, Y, Rastinejad, F.
Deposit date:2016-08-10
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:NPAS1-ARNT and NPAS3-ARNT crystal structures implicate the bHLH-PAS family as multi-ligand binding transcription factors.
Elife, 5, 2016
5SY7
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BU of 5sy7 by Molmil
Crystal Structure of the Heterodimeric NPAS3-ARNT Complex with HRE DNA
Descriptor: Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(*CP*AP*CP*GP*AP*CP*CP*CP*GP*CP*AP*CP*GP*TP*AP*CP*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*TP*GP*CP*GP*TP*AP*CP*GP*TP*GP*CP*GP*GP*GP*TP*CP*GP*T)-3'), ...
Authors:Wu, D, Su, X, Potluri, N, Kim, Y, Rastinejad, F.
Deposit date:2016-08-10
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:NPAS1-ARNT and NPAS3-ARNT crystal structures implicate the bHLH-PAS family as multi-ligand binding transcription factors.
Elife, 5, 2016
8JSX
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BU of 8jsx by Molmil
VMAT2 complex with noradrenaline in lumen-facing state
Descriptor: Noradrenaline, Synaptic vesicular amine transporter
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-20
Release date:2024-05-08
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural snapshots of human VMAT2 reveal insights into substrate recognition and proton coupling mechanism.
Cell Res., 34, 2024
8JTB
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BU of 8jtb by Molmil
VMAT2 complex with dopamine
Descriptor: L-DOPAMINE, Synaptic vesicular amine transporter
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-21
Release date:2024-05-08
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural snapshots of human VMAT2 reveal insights into substrate recognition and proton coupling mechanism.
Cell Res., 34, 2024
8JT5
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BU of 8jt5 by Molmil
VMAT2 complex with histamine
Descriptor: HISTAMINE, Synaptic vesicular amine transporter
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-21
Release date:2024-05-08
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural snapshots of human VMAT2 reveal insights into substrate recognition and proton coupling mechanism.
Cell Res., 34, 2024
8JSW
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BU of 8jsw by Molmil
Human VMAT2 complex with serotonin
Descriptor: SEROTONIN, Synaptic vesicular amine transporter
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-20
Release date:2023-11-29
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
8JTC
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BU of 8jtc by Molmil
Human VMAT2 complex with reserpine
Descriptor: Synaptic vesicular amine transporter, reserpine
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
8JT9
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BU of 8jt9 by Molmil
Human VMAT2 complex with ketanserin
Descriptor: 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione, Synaptic vesicular amine transporter
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
8JTA
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BU of 8jta by Molmil
Human VMAT2 complex with tetrabenazine
Descriptor: Synaptic vesicular amine transporter, tetrabenazine
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
8XXS
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BU of 8xxs by Molmil
Crystal structure of PDE4D catalytic domain complexed with L11
Descriptor: 2-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]-1-benzofuran-6-ol, MAGNESIUM ION, ZINC ION, ...
Authors:Wu, D, Huang, Y.-Y, Luo, H.-B.
Deposit date:2024-01-19
Release date:2025-01-22
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.10000944 Å)
Cite:5-hydroxymethylcytosine features of portal venous blood predict metachronous liver metastases of colorectal cancer and reveal phosphodiesterase 4 as a therapeutic target.
Clin Transl Med, 15, 2025
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
8XOA
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BU of 8xoa by Molmil
VMAT2 complex with MPP+
Descriptor: 1-methyl-4-phenylpyridin-1-ium, Synaptic vesicular amine transporter,Synaptic vesicular amine transporter,transporterA
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-12-31
Release date:2024-05-08
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structural snapshots of human VMAT2 reveal insights into substrate recognition and proton coupling mechanism.
Cell Res., 34, 2024
8XO9
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BU of 8xo9 by Molmil
VMAT2 complex with noradrenaline in cytosol-facing state
Descriptor: Noradrenaline, Synaptic vesicular amine transporter,Synaptic vesicular amine transporter,transporter A
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-12-31
Release date:2024-05-08
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural snapshots of human VMAT2 reveal insights into substrate recognition and proton coupling mechanism.
Cell Res., 34, 2024
8XOB
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BU of 8xob by Molmil
VMAT2 protonated state
Descriptor: Synaptic vesicular amine transporter,transporter B
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-12-31
Release date:2024-05-08
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structural snapshots of human VMAT2 reveal insights into substrate recognition and proton coupling mechanism.
Cell Res., 34, 2024
6IKM
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BU of 6ikm by Molmil
Crystal structure of SpuE-Spermidine in complex with ScFv5
Descriptor: Polyamine transport protein, SPERMIDINE, SULFATE ION, ...
Authors:Wu, D, Sun, X.
Deposit date:2018-10-16
Release date:2019-12-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.398 Å)
Cite:A Potent Anti-SpuE Antibody Allosterically Inhibits Type III Secretion System and Attenuates Virulence of Pseudomonas Aeruginosa.
J.Mol.Biol., 431, 2019
7XC5
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BU of 7xc5 by Molmil
Crystal structure of the ANK domain of CLPB
Descriptor: Isoform 2 of Caseinolytic peptidase B protein homolog
Authors:Liu, Y, Wu, D, Lu, G, Gao, N, Lin, J.
Deposit date:2022-03-23
Release date:2023-01-18
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comprehensive structural characterization of the human AAA+ disaggregase CLPB in the apo- and substrate-bound states reveals a unique mode of action driven by oligomerization.
Plos Biol., 21, 2023
3D04
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BU of 3d04 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with sakuranetin
Descriptor: (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one, (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, ...
Authors:Zhang, L, Kong, Y, Wu, D, Shen, X, Jiang, H.
Deposit date:2008-05-01
Release date:2008-12-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay
Protein Sci., 17, 2008
9LO7
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BU of 9lo7 by Molmil
The crystal structure of PDE4D with 2317b
Descriptor: 3',5'-cyclic-AMP phosphodiesterase 4D, MAGNESIUM ION, ZINC ION, ...
Authors:Huag, Y.-Y, Wu, D, Luo, H.-B.
Deposit date:2025-01-22
Release date:2025-03-26
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.20006251 Å)
Cite:Structure-Based Optimization of Moracin M as Potent and Selective PDE4 Inhibitors with Antipsoriasis Effects.
J.Med.Chem., 68, 2025
6KUW
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BU of 6kuw by Molmil
Crystal structure of human alpha2C adrenergic G protein-coupled receptor.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8~{a}~{R},12~{a}~{S},13~{a}~{R})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine, Alpha-2C adrenergic receptor, ...
Authors:Chen, X.Y, Wu, L.J, Wu, D, Zhong, G.S.
Deposit date:2019-09-02
Release date:2019-12-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human alpha2C adrenergic G protein-coupled receptor.
To Be Published
8QCS
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BU of 8qcs by Molmil
Cryo-EM structure of the inward-facing FLVCR1
Descriptor: Heme transporter FLVCR1
Authors:Weng, T.-H, Wu, D, Safarian, S.
Deposit date:2023-08-28
Release date:2024-04-17
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular mechanism of choline and ethanolamine transport in humans.
Nature, 630, 2024
8QCT
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BU of 8qct by Molmil
Cryo-EM structure of the inward-facing choline-bound FLVCR1
Descriptor: CHOLINE ION, Heme transporter FLVCR1
Authors:Weng, T.-H, Wu, D, Safarian, S.
Deposit date:2023-08-28
Release date:2024-04-17
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Molecular mechanism of choline and ethanolamine transport in humans.
Nature, 630, 2024

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