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3PR6
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BU of 3pr6 by Molmil
Crystal structure analysis of yeast TRAPP associate protein Tca17
分子名称: CHLORIDE ION, GLYCEROL, TRAPP-associated protein TCA17
著者Wang, C, Gohlke, U, Heinemann, U.
登録日2010-11-29
公開日2011-11-30
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the yeast TRAPP-associated protein Tca17.
Febs J., 281, 2014
5UYT
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BU of 5uyt by Molmil
Crystal structure of ice binding protein from an Antarctic bacterium Flavobacteriaceae
分子名称: Ice-binding protein, NITRATE ION
著者Wang, C, Pakhomova, S, Newcomer, M.E, Christner, B.C, Luo, B.-H.
登録日2017-02-24
公開日2017-10-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of antifreeze activity of a bacterial multi-domain antifreeze protein.
PLoS ONE, 12, 2017
4N4W
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BU of 4n4w by Molmil
Structure of the human smoothened receptor in complex with SANT-1.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine, Cytochrome b(562),Smoothened homolog, ...
著者Wang, C, Wu, H, Han, G.W, Cherezov, V, Stevens, R.C, GPCR Network (GPCR)
登録日2013-10-08
公開日2014-01-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
4EVA
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BU of 4eva by Molmil
Crystal Structure of Mouse Catenin beta-59 in 5.6M urea
分子名称: Catenin beta-1, UREA
著者Wang, C, Zhang, G.Y.
登録日2012-04-26
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Crystal Structure of Mouse Catenin beta-59 in 5.6M urea
TO BE PUBLISHED
4KMV
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BU of 4kmv by Molmil
Structure of the L100F MUTANT OF DEHALOPEROXIDASE-HEMOGLOBIN A FROM AMPHITRITE ORNATA WITH 2,4,6-TRICHLOROPHENOL
分子名称: 1,2-ETHANEDIOL, 2,4,6-trichlorophenol, Dehaloperoxidase A, ...
著者Wang, C, Lovelace, L, Lebioda, L.
登録日2013-05-08
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Complexes of dual-function hemoglobin/dehaloperoxidase with substrate 2,4,6-trichlorophenol are inhibitory and indicate binding of halophenol to compound I.
Biochemistry, 52, 2013
4KN3
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BU of 4kn3 by Molmil
Structure of the Y34NS91G double mutant of Dehaloperoxidase from Amphitrite ornata with 2,4,6-trichlorophenol
分子名称: 2,4,6-trichlorophenol, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Wang, C, Lovelace, L, Lebioda, L.
登録日2013-05-08
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Complexes of dual-function hemoglobin/dehaloperoxidase with substrate 2,4,6-trichlorophenol are inhibitory and indicate binding of halophenol to compound I.
Biochemistry, 52, 2013
4KMW
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BU of 4kmw by Molmil
Structure of the Y34N MUTANT OF DEHALOPEROXIDASE-HEMOGLOBIN A FROM AMPHITRITE ORNATA WITH 2,4,6-TRICHLOROPHENOL
分子名称: 2,4,6-trichlorophenol, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Wang, C, Lovelace, L, Lebioda, L.
登録日2013-05-08
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Complexes of dual-function hemoglobin/dehaloperoxidase with substrate 2,4,6-trichlorophenol are inhibitory and indicate binding of halophenol to compound I.
Biochemistry, 52, 2013
4JKV
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BU of 4jkv by Molmil
Structure of the human smoothened 7TM receptor in complex with an antitumor agent
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide, DI(HYDROXYETHYL)ETHER, ...
著者Wang, C, Wu, H, Katritch, V, Han, G.W, Huang, X, Liu, W, Siu, F.Y, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR)
登録日2013-03-11
公開日2013-04-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure of the human smoothened receptor bound to an antitumour agent.
Nature, 497, 2013
4QIM
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BU of 4qim by Molmil
Structure of the human smoothened receptor in complex with ANTA XV
分子名称: 2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol, Smoothened homolog/Soluble cytochrome b562 chimeric protein, ZINC ION
著者Wang, C, Wu, H, Evron, T, Vardy, E, Han, G.W, Huang, X.-P, Hufeisen, S.J, Mangano, T.J, Urban, D.J, Katritch, V, Cherezov, V, Caron, M.G, Roth, B.L, Stevens, R.C, GPCR Network (GPCR)
登録日2014-05-31
公開日2014-07-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
4QIN
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BU of 4qin by Molmil
Structure of the human smoothened receptor in complex with SAG1.5
分子名称: 3-chloro-4,7-difluoro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide, Smoothened homolog/Soluble cytochrome b562 chimeric protein
著者Wang, C, Wu, H, Evron, T, Vardy, E, Han, G.W, Huang, X.-P, Hufeisen, S.J, Mangano, T.J, Urban, D.J, Katritch, V, Cherezov, V, Caron, M.G, Roth, B.L, Stevens, R.C, GPCR Network (GPCR)
登録日2014-05-31
公開日2014-07-23
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
5TGK
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BU of 5tgk by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dATP
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
著者Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
登録日2016-09-28
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.912 Å)
主引用文献Ligand binding to a remote site thermodynamically corrects the F508del mutation in the human cystic fibrosis transmembrane conductance regulator.
J. Biol. Chem., 2018
7WN0
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BU of 7wn0 by Molmil
Structure of PfENT1(Y190A) in complex with nanobody 19
分子名称: Equilibrative nucleoside/nucleobase transporter, nanobody19
著者Wang, C, Deng, D, Ren, R.B, Yu, L.Y.
登録日2022-01-17
公開日2023-02-01
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
7WN1
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BU of 7wn1 by Molmil
Structure of PfNT1(Y190A) in complex with nanobody 48 and inosine
分子名称: Equilibrative nucleoside/nucleobase transporter, INOSINE, nanobody48
著者Wang, C, Deng, D, Ren, R.B, Yu, L.Y.
登録日2022-01-17
公開日2023-02-01
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
7ZHI
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BU of 7zhi by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor indole
分子名称: Aspartate carbamoyltransferase, INDOLE, SULFATE ION
著者Wang, C, Zhang, B.
登録日2022-04-06
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.946 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZP2
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BU of 7zp2 by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-04
分子名称: Aspartate carbamoyltransferase, SODIUM ION, SULFATE ION, ...
著者Wang, C, Zhang, B, Groves, M.R.
登録日2022-04-26
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.292 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZST
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BU of 7zst by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with FLA-01
分子名称: 2-azanyl-~{N}-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide, Aspartate carbamoyltransferase, GLYCEROL, ...
著者Wang, C, Zhang, B, Groves, M.R.
登録日2022-05-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZGS
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BU of 7zgs by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 2-phenylethan-1-amine
分子名称: 3-PHENYLPROPYLAMINE, Aspartate carbamoyltransferase, SODIUM ION, ...
著者Wang, C, Zhang, B.
登録日2022-04-04
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.349 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZEA
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BU of 7zea by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor O-benzylhydroxylamine
分子名称: Aspartate carbamoyltransferase, O-benzylhydroxylamine, SODIUM ION, ...
著者Wang, C, Zhang, B.
登録日2022-03-30
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.448 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZCZ
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BU of 7zcz by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 1-(4-chlorophenyl)methanamine
分子名称: 1-(4-CHLOROPHENYL)METHANAMINE, Aspartate carbamoyltransferase, SODIUM ION, ...
著者Wang, C, Zhang, B.
登録日2022-03-29
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZID
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BU of 7zid by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-14
分子名称: Aspartate carbamoyltransferase, GLYCEROL, SULFATE ION, ...
著者Wang, C, Zhang, B.
登録日2022-04-07
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7YEN
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BU of 7yen by Molmil
Crystal structure of the Keap1 Kelch domain in complex with Caffeic acid
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAFFEIC ACID, CALCIUM ION, ...
著者Wang, C, Jiang, L.
登録日2022-07-06
公開日2023-07-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the Keap1 Kelch domain complexed with Caffeic acid
To Be Published
5TF8
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BU of 5tf8 by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dTTP
分子名称: Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE
著者Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
登録日2016-09-24
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFJ
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BU of 5tfj by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
著者Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
登録日2016-09-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TF7
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BU of 5tf7 by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
著者Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
登録日2016-09-24
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.931 Å)
主引用文献Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFF
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BU of 5tff by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with UTP
分子名称: Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE
著者Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
登録日2016-09-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.891 Å)
主引用文献Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published

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