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PDB: 176 results

8K9S
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BU of 8k9s by Molmil
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 1 (ADKI1)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LYSINE, Lysine--tRNA ligase, ...
Authors:Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
Deposit date:2023-08-01
Release date:2024-06-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
8K9U
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BU of 8k9u by Molmil
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 2 (ADKI2)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LYSINE, Lysine--tRNA ligase, ...
Authors:Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
Deposit date:2023-08-01
Release date:2024-06-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
8K9W
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BU of 8k9w by Molmil
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 4 (ADKI4)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lysine--tRNA ligase, ~{N}2-(2-methoxyphenyl)-~{N}4-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
Authors:Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
Deposit date:2023-08-01
Release date:2024-06-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
7D3B
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BU of 7d3b by Molmil
flavone reductase
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Cd1, FLAVIN MONONUCLEOTIDE
Authors:Hong, S, Yang, G.H, Zhang, P.
Deposit date:2020-09-18
Release date:2021-03-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
7D3A
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BU of 7d3a by Molmil
flavone reductase
Descriptor: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Cd1, FLAVIN MONONUCLEOTIDE
Authors:Hong, S, Yang, G.H, Zhang, P.
Deposit date:2020-09-18
Release date:2021-03-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.552 Å)
Cite:Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
7D39
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BU of 7d39 by Molmil
FLR-apo
Descriptor: Cd1, FLAVIN MONONUCLEOTIDE
Authors:Hong, S, Yang, G.H, Zhang, P.
Deposit date:2020-09-18
Release date:2021-03-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
7D38
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BU of 7d38 by Molmil
flavone reductase
Descriptor: Cd1, FLAVIN MONONUCLEOTIDE, chrysin
Authors:Hong, S, Yang, G.H, Zhang, P.
Deposit date:2020-09-18
Release date:2021-03-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.649 Å)
Cite:Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
5ZOI
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BU of 5zoi by Molmil
Crystal Structure of alpha1,3-Fucosyltransferase
Descriptor: Alpha-(1,3)-fucosyltransferase FucT, [[(2S,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
Authors:Tan, Y, Yang, G.
Deposit date:2018-04-13
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Directed evolution of an alpha 1,3-fucosyltransferase using a single-cell ultrahigh-throughput screening method.
Sci Adv, 5, 2019
7CQR
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BU of 7cqr by Molmil
Complex structure of HPPD with Y16550
Descriptor: 3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Lin, H.Y, Yang, G.F.
Deposit date:2020-08-11
Release date:2022-03-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.947 Å)
Cite:Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules
Adv Agrochem, 2022
7CQS
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BU of 7cqs by Molmil
Complex structure of HPPD with Topramezone
Descriptor: 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{H}-pyrazol-3-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Lin, H.Y, Yang, G.F.
Deposit date:2020-08-11
Release date:2022-03-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules
Adv Agrochem, 2022
8WUI
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BU of 8wui by Molmil
SKOR D312N L271P double mutation
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium channel SKOR
Authors:Gao, X, Sun, T, Lu, Y, Jia, Y, Xu, X, Zhang, Y, Fu, P, Yang, G.
Deposit date:2023-10-20
Release date:2024-04-10
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural changes in the conversion of an Arabidopsis outward-rectifying K + channel into an inward-rectifying channel.
Plant Commun., 5, 2024
8WTZ
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BU of 8wtz by Molmil
potassium outward rectifier channel SKOR
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium channel SKOR
Authors:Gao, X, Sun, T, Lu, Y, Jia, Y, Xu, X, Zhang, Y, Fu, P, Yang, G.
Deposit date:2023-10-19
Release date:2024-04-10
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural changes in the conversion of an Arabidopsis outward-rectifying K + channel into an inward-rectifying channel.
Plant Commun., 5, 2024
7XIV
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BU of 7xiv by Molmil
Structural insight into the interactions between Lloviu virus VP30 and nucleoprotein
Descriptor: Nucleocapsid protein,Minor nucleoprotein VP30
Authors:Dong, S.S, Qin, X.C, Sun, W.Y, Luan, F.C, Wang, J.J, Ma, L, Li, X.X, Yang, G.X, Hao, C.Y.
Deposit date:2022-04-14
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Structural insights into the interactions between lloviu virus VP30 and nucleoprotein.
Biochem.Biophys.Res.Commun., 616, 2022
9CGI
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BU of 9cgi by Molmil
Cryo-EM structure of the Nipah Virus polymerase (L) protein in complex with the tetrameric phosphoprotein (P)
Descriptor: Phosphoprotein, RNA-directed RNA polymerase L
Authors:Liu, B, Yang, G, Wang, D.
Deposit date:2024-06-29
Release date:2024-09-18
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Structure of the Nipah virus polymerase phosphoprotein complex.
Nat Commun, 15, 2024
5T2U
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BU of 5t2u by Molmil
short chain dehydrogenase/reductase family protein
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase, short chain dehydrogenase/reductase family protein
Authors:Mickael, B, Van Wyk, N, Baneres-Roquet, F, Yann, G, Laurent, K.
Deposit date:2016-08-24
Release date:2017-02-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding of NADP(+) triggers an open-to-closed transition in a mycobacterial FabG beta-ketoacyl-ACP reductase.
Biochem. J., 474, 2017
7CJK
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BU of 7cjk by Molmil
Complex structure of AtHPPD with inhibitor Y18093
Descriptor: 3-oxidanyl-2-[3,5,6-tris(chloranyl)-4-[(4-chlorophenyl)methylamino]pyridin-2-yl]carbonyl-cyclohex-2-en-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Lin, H.Y, Yang, G.F.
Deposit date:2020-07-11
Release date:2021-07-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Complex structure of AtHPPD with inhibitor Y18093
To Be Published
7EQ7
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BU of 7eq7 by Molmil
Co-Crystal Structure Analysis of Annexin A2 and 5alpha-EAL
Descriptor: Annexin A2, CALCIUM ION
Authors:Liu, X, Yang, G.
Deposit date:2021-04-30
Release date:2022-05-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.111 Å)
Cite:Co-Crystal Structure Analysis of Annexin A2 and 5alpha-EAL
To be published
7EZQ
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BU of 7ezq by Molmil
Complex structure of AtHPPD with inhibitor Y15832
Descriptor: 4-hydroxyphenylpyruvate dioxygenase, 6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-3-(2-methylphenyl)quinazoline-2,4-dione, COBALT (II) ION
Authors:Lin, H.Y, Yang, G.F.
Deposit date:2021-06-01
Release date:2022-06-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.886 Å)
Cite:Complex structure of AtHPPD with inhibitor Y18093
To Be Published
3S0R
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BU of 3s0r by Molmil
Crystal Structure of De novo Designed helical assembly protein
Descriptor: De novo designed Helical Assembly
Authors:Acharya, R, Grigoryan, G, Kim, Y.H, DeGrado, W.F.
Deposit date:2011-05-13
Release date:2011-06-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.453 Å)
Cite:Computational design of virus-like protein assemblies on carbon nanotube surfaces.
Science, 332, 2011
5HKN
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BU of 5hkn by Molmil
Crystal structure de novo designed fullerene organizing protein complex with fullerene
Descriptor: (C_{60}-I_{h})[5,6]fullerene, fullerene organizing protein
Authors:Paul, J, Acharya, R, Kim, K.-H, Kim, Y.H, Kim, N.H, Grigoryan, G, DeGardo, W.F.
Deposit date:2016-01-14
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:Protein-directed self-assembly of a fullerene crystal.
Nat Commun, 7, 2016
5HKR
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BU of 5hkr by Molmil
Crystal structure of de novo designed fullerene organising protein complex with fullerene
Descriptor: (C_{60}-I_{h})[5,6]fullerene, fullerene organizing protein
Authors:Acharya, R, Kim, Y.H, Grigoryan, G, DeGardo, W.F.
Deposit date:2016-01-14
Release date:2016-05-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Protein-directed self-assembly of a fullerene crystal.
Nat Commun, 7, 2016
8IM7
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BU of 8im7 by Molmil
Human gamma-secretase treated with ganglioside GM1
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhou, R, Yang, G, Shi, Y.
Deposit date:2023-03-06
Release date:2024-01-17
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Preferential Regulation of Gamma-Secretase-Mediated Cleavage of APP by Ganglioside GM1 Reveals a Potential Therapeutic Target for Alzheimer's Disease.
Adv Sci, 10, 2023
5ET3
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BU of 5et3 by Molmil
Crystal Structure of De novo Designed Fullerene organizing peptide
Descriptor: (C_{60}-I_{h})[5,6]fullerene, Fullerene Organizing Protein (C60Sol-COP-3)
Authors:Kim, K.-H, Kim, Y.H, Acharya, R, Kim, N.H, Paul, J, Grigoryan, G, DeGrado, W.F.
Deposit date:2015-11-17
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.671 Å)
Cite:Protein-directed self-assembly of a fullerene crystal.
Nat Commun, 7, 2016
4A22
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BU of 4a22 by Molmil
Structure of Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase bound to N-(4-hydroxybutyl)- glycolohydroxamic acid bis- phosphate
Descriptor: 4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate, FRUCTOSE-BISPHOSPHATE ALDOLASE, SODIUM ION, ...
Authors:Coincon, M, De la Paz Santangelo, M, Gest, P.M, Guerin, M.E, Pham, H, Ryan, G, Puckett, S.E, Spencer, J.S, Gonzalez-Juarrero, M, Daher, R, Lenaerts, A.J, Schnappinger, D, Therisod, M, Ehrt, S, Jackson, M, Sygusch, J.
Deposit date:2011-09-21
Release date:2011-10-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Glycolytic and non-glycolytic functions of Mycobacterium tuberculosis fructose-1,6-bisphosphate aldolase, an essential enzyme produced by replicating and non-replicating bacilli.
J. Biol. Chem., 286, 2011
1XOF
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BU of 1xof by Molmil
Heterooligomeric Beta Beta Alpha Miniprotein
Descriptor: BBAhetT1
Authors:Ali, M.H, Taylor, C.M, Grigoryan, G, Allen, K.N, Imperiali, B, Keating, A.E.
Deposit date:2004-10-06
Release date:2005-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design of a Heterospecific, Tetrameric, 21-Residue Miniprotein with Mixed alpha/beta Structure.
Structure, 13, 2005

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