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8QCX
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BU of 8qcx by Molmil
Cryo-EM structure of the inward-facing FLVCR2
Descriptor: Heme transporter FLVCR2
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 (3.1 Å)
Cite:Molecular mechanism of choline and ethanolamine transport in humans.
Nature, 630, 2024
8DNT
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BU of 8dnt by Molmil
SARS-CoV-2 specific T cell receptor
Descriptor: Beta-2-microglobulin, MHC class I antigen alpha chain, Nucleoprotein, ...
Authors:Gallagher, D.T, Wu, D, Gowthaman, R, Pierce, B.G, Mariuzza, R.A, Weng, N.P.
Deposit date:2022-07-11
Release date:2023-07-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:SARS-CoV-2 infection establishes a stable and age-independent CD8 + T cell response against a dominant nucleocapsid epitope using restricted T cell receptors.
Nat Commun, 14, 2023
8QCY
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BU of 8qcy by Molmil
Cryo-EM structure of the outward-facing FLVCR2
Descriptor: Heme transporter FLVCR2
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
8R8T
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BU of 8r8t by Molmil
Cryo-EM structure of the inward-facing ethanolamine-bound FLVCR1
Descriptor: ETHANOLAMINE, Heme transporter FLVCR1
Authors:Weng, T.-H, Wu, D, Safarian, S.
Deposit date:2023-11-29
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
7OY2
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BU of 7oy2 by Molmil
High resolution structure of cytochrome bd-II oxidase from E. coli
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[(2~{E},6~{E},10~{Z},14~{E},18~{E},22~{E},26~{E})-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione, CARDIOLIPIN, ...
Authors:Grund, T.N, Wu, D, Bald, D, Michel, H, Safarian, S.
Deposit date:2021-06-23
Release date:2021-12-15
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.06 Å)
Cite:Mechanistic and structural diversity between cytochrome bd isoforms of Escherichia coli .
Proc.Natl.Acad.Sci.USA, 118, 2021
6KUX
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BU of 6kux by Molmil
Crystal structures of the alpha2A adrenergic receptor in complex with an antagonist RSC.
Descriptor: (8~{a}~{R},12~{a}~{S},13~{a}~{S})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
Authors:Qu, L, Zhou, Q.T, Wu, D, Zhao, S.W.
Deposit date:2019-09-02
Release date:2019-12-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of the alpha2A adrenergic receptor in complex with an antagonist RSC.
To Be Published
3DOO
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BU of 3doo by Molmil
Crystal structure of shikimate dehydrogenase from Staphylococcus epidermidis complexed with shikimate
Descriptor: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, Shikimate dehydrogenase
Authors:Han, C, Hu, T, Wu, D, Zhou, J, Shen, X, Qu, D, Jiang, H.
Deposit date:2008-07-05
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray crystallographic and enzymatic analyses of shikimate dehydrogenase from Staphylococcus epidermidis
Febs J., 276, 2009
3DON
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BU of 3don by Molmil
Crystal structure of shikimate dehydrogenase from Staphylococcus epidermidis
Descriptor: GLYCEROL, Shikimate dehydrogenase
Authors:Han, C, Hu, T, Wu, D, Zhou, J, Shen, X, Qu, D, Jiang, H.
Deposit date:2008-07-05
Release date:2009-05-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray crystallographic and enzymatic analyses of shikimate dehydrogenase from Staphylococcus epidermidis
Febs J., 276, 2009
6LZL
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BU of 6lzl by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with Piperine
Descriptor: (2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Liu, Z.H, Wu, D, Lu, W.Q, Huang, J.
Deposit date:2020-02-19
Release date:2020-04-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal structure of human dihydroorotate dehydrogenase (DHODH) with Piperine
To Be Published
8QD0
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BU of 8qd0 by Molmil
Cryo-EM structure of the inward-facing choline-bound FLVCR2
Descriptor: CHOLINE ION, Heme transporter FLVCR2
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 (2.8 Å)
Cite:Molecular mechanism of choline and ethanolamine transport in humans.
Nature, 630, 2024
8QCZ
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BU of 8qcz by Molmil
Cryo-EM structure of the outward-facing heme-bound FLVCR2
Descriptor: Heme transporter FLVCR2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Weng, T.-H, Wu, D, Safarian, S.
Deposit date:2023-08-28
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of the outward-facing heme-bound FLVCR2
To Be Published
3CF8
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BU of 3cf8 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with quercetin
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, BENZAMIDINE, ...
Authors:Zhang, L, Wu, D, Liu, W, Shen, X, Jiang, H.
Deposit date:2008-03-03
Release date:2008-12-09
Last modified:2024-03-13
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
3CF9
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BU of 3cf9 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with apigenin
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, BENZAMIDINE, ...
Authors:Zhang, L, Wu, D, Liu, W, Shen, X, Jiang, H.
Deposit date:2008-03-03
Release date:2008-12-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 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
7NKZ
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BU of 7nkz by Molmil
Cryo-EM structure of the cytochrome bd oxidase from M. tuberculosis at 2.5 A resolution
Descriptor: CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, HEME B/C, MENAQUINONE-9, ...
Authors:Safarian, S, Wu, D, Krause, K.L, Michel, H.
Deposit date:2021-02-19
Release date:2021-09-22
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:The cryo-EM structure of the bd oxidase from M. tuberculosis reveals a unique structural framework and enables rational drug design to combat TB.
Nat Commun, 12, 2021
6O7V
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BU of 6o7v by Molmil
Saccharomyces cerevisiae V-ATPase Stv1-V1VO State 1
Descriptor: Putative protein YPR170W-B, V-type proton ATPase subunit B, V-type proton ATPase subunit C, ...
Authors:Vasanthakumar, T, Bueler, S.A, Wu, D, Beilsten-Edmands, V, Robinson, C.V, Rubinstein, J.L.
Deposit date:2019-03-08
Release date:2019-04-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Structural comparison of the vacuolar and Golgi V-ATPases fromSaccharomyces cerevisiae.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6O7T
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BU of 6o7t by Molmil
Saccharomyces cerevisiae V-ATPase Vph1-VO
Descriptor: Putative protein YPR170W-B, V-type proton ATPase subunit a, vacuolar isoform, ...
Authors:Vasanthakumar, T, Bueler, S.A, Wu, D, Beilsten-Edmands, V, Robinson, C.V, Rubinstein, J.L.
Deposit date:2019-03-08
Release date:2019-04-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural comparison of the vacuolar and Golgi V-ATPases fromSaccharomyces cerevisiae.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6O7W
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BU of 6o7w by Molmil
Saccharomyces cerevisiae V-ATPase Stv1-V1VO State 2
Descriptor: Putative protein YPR170W-B, V-type proton ATPase subunit B, V-type proton ATPase subunit C, ...
Authors:Vasanthakumar, T, Bueler, S.A, Wu, D, Beilsten-Edmands, V, Robinson, C.V, Rubinstein, J.L.
Deposit date:2019-03-08
Release date:2019-04-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Structural comparison of the vacuolar and Golgi V-ATPases fromSaccharomyces cerevisiae.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6O7U
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BU of 6o7u by Molmil
Saccharomyces cerevisiae V-ATPase Stv1-VO
Descriptor: Putative protein YPR170W-B, V-type proton ATPase subunit a, Golgi isoform, ...
Authors:Vasanthakumar, T, Bueler, S.A, Wu, D, Beilsten-Edmands, V, Robinson, C.V, Rubinstein, J.L.
Deposit date:2019-03-08
Release date:2019-04-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural comparison of the vacuolar and Golgi V-ATPases fromSaccharomyces cerevisiae.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
2AKR
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BU of 2akr by Molmil
Structural basis of sulfatide presentation by mouse CD1d
Descriptor: (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zajonc, D.M, Halder, R, Wu, D, Maricic, I, Roy, K, Wong, C.-H, Kumar, V, Wilson, I.A.
Deposit date:2005-08-03
Release date:2005-12-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for CD1d presentation of a sulfatide derived from myelin and its implications for autoimmunity
J.Exp.Med., 202, 2005
6IJI
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BU of 6iji by Molmil
Crystal structure of PDE10 in complex with inhibitor 2b
Descriptor: 2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ...
Authors:Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B.
Deposit date:2018-10-10
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors.
J. Med. Chem., 62, 2019
6IJH
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BU of 6ijh by Molmil
Crystal structure of PDE10 in complex with inhibitor AF-399/14387019
Descriptor: 2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ...
Authors:Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B.
Deposit date:2018-10-10
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors.
J. Med. Chem., 62, 2019
3C5Q
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BU of 3c5q by Molmil
Crystal structure of diaminopimelate decarboxylase (I148L mutant) from Helicobacter pylori complexed with L-lysine
Descriptor: Diaminopimelate decarboxylase, GLYCEROL, LYSINE, ...
Authors:Hu, T, Wu, D, Jiang, H, Shen, X.
Deposit date:2008-02-01
Release date:2008-05-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of diaminopimelate decarboxylase from Helicobacter pylori
To be Published
4REW
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BU of 4rew by Molmil
Crystal structure of the non-phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K.
Deposit date:2014-09-24
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4.58 Å)
Cite:Structural basis of AMPK regulation by adenine nucleotides and glycogen.
Cell Res., 25, 2015
5OEV
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BU of 5oev by Molmil
The structure of a glutathione synthetase like-effector (GSS22) from Globodera pallida in apoform.
Descriptor: Glutathione synthetase-like effector 22 (Gpa-GSS22-apo)
Authors:Lilley, C.J, Maqbool, A, Wu, D, Yusup, H.B, Jones, L.M, Birch, P.R.J, Banfield, M.J, Urwin, P.E, Eves-van den Akker, S.
Deposit date:2017-07-10
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene.
PLoS Genet., 14, 2018
5OEU
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BU of 5oeu by Molmil
The structure of a glutathione synthetase like-effector (GSS22) from Globodera pallida in ADP-bound closed conformation.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glutathione synthetase-like effector 22 (Gpa-GSS22-closed), MAGNESIUM ION
Authors:Lilley, C.J, Maqbool, A, Wu, D, Yusup, H.B, Jones, L.M, Birch, P.R.J, Banfield, M.J, Urwin, P.E, Eves-van den Akker, S.
Deposit date:2017-07-10
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene.
PLoS Genet., 14, 2018

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