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7G9T
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BU of 7g9t by Molmil
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z18618496
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, Serine protease NS3, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7G9U
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z55222357
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GA6
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1509711879
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 6-bromo-7-hydroxy-2,2-dimethyl-2H,4H-1,3-benzodioxin-4-one, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7G9V
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z383202616
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, N-(1H-indazol-6-yl)acetamide, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7G9Y
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BU of 7g9y by Molmil
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z2678251369
分子名称: 1,2-ETHANEDIOL, 2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7G9P
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BU of 7g9p by Molmil
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1619958679
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.743 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7G9N
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z57821475
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.422 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7G9W
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z444860982
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]cyclohexanamine, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.855 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GA1
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BU of 7ga1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with POB0128
分子名称: (1S,2R)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid, 1,2-ETHANEDIOL, PHOSPHATE ION, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7G9X
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BU of 7g9x by Molmil
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z905065822
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (5R)-1,3,7-triazaspiro[4.5]decane-2,4-dione, 1,2-ETHANEDIOL, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.809 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GA0
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BU of 7ga0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z2048325751
分子名称: (3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.967 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GA3
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z3241250482
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,1-bis(oxidanylidene)thietan-3-ol, 1,2-ETHANEDIOL, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.809 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GA4
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BU of 7ga4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z56823075
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, PHOSPHATE ION, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GA5
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BU of 7ga5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z119989094
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-(piperazin-1-yl)-1,3-benzothiazole, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.843 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GA7
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BU of 7ga7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z85933875
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7G9L
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BU of 7g9l by Molmil
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z111782404
分子名称: (2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ...
著者Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-07-03
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.541 Å)
主引用文献PanDDA analysis group deposition
To Be Published
8TLN
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BU of 8tln by Molmil
STRUCTURAL COMPARISON SUGGESTS THAT THERMOLYSIN AND RELATED NEUTRAL PROTEASES UNDERGO HINGE-BENDING MOTION DURING CATALYSIS
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, LYSINE, ...
著者Tronrud, D, Matthews, B.W.
登録日1993-09-01
公開日1994-04-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural comparison suggests that thermolysin and related neutral proteases undergo hinge-bending motion during catalysis.
Biochemistry, 31, 1992
4QLG
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BU of 4qlg by Molmil
Crystal structure of I14V DHFR mutant complexed with folate and NADP+
分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Stojkovic, V, Gakhar, L, Kohen, A.
登録日2014-06-12
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Free energy simulations of active-site mutants of dihydrofolate reductase.
J.Phys.Chem.B, 119, 2015
4QLE
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BU of 4qle by Molmil
Crystal structure of I14A DHFR mutant complexed with folate and NADP+
分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Stojkovic, V, Gakhar, L, Kohen, A.
登録日2014-06-12
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Free energy simulations of active-site mutants of dihydrofolate reductase.
J.Phys.Chem.B, 119, 2015
4QLF
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BU of 4qlf by Molmil
Crystal structure of I14G DHFR mutant complexed with folate and NADP+
分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Stojkovic, V, Gakhar, L, Kohen, A.
登録日2014-06-12
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Free energy simulations of active-site mutants of dihydrofolate reductase.
J.Phys.Chem.B, 119, 2015
7AEQ
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BU of 7aeq by Molmil
Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-4-(2-hydroxyethylsulfanyl)-N-methyl-benzenesulfonamide
分子名称: 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SODIUM ION, ...
著者Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-09-18
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases.
Eur.Biophys.J., 50, 2021
7AES
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BU of 7aes by Molmil
Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-N-methyl-4-propylsulfanyl-benzenesulfonamide
分子名称: 2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICINE, ...
著者Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-09-18
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases.
Eur.Biophys.J., 50, 2021
7AGN
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BU of 7agn by Molmil
Human carbonic anhydrase II in complex with 4-(2-aminoethylsulfanyl)-2,3,5,6-tetrafluoro-N-methyl-benzenesulfonamide
分子名称: 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide, BICINE, SODIUM ION, ...
著者Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-09-23
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases.
Eur.Biophys.J., 50, 2021
3ENI
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BU of 3eni by Molmil
Crystal structure of the Fenna-Matthews-Olson Protein from Chlorobaculum Tepidum
分子名称: BACTERIOCHLOROPHYLL A, Bacteriochlorophyll a protein
著者Tronrud, D, Camara-Artigas, A, Blankenship, R, Allen, J.P.
登録日2008-09-25
公開日2009-05-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structural basis for the difference in absorbance spectra for the FMO antenna protein from various green sulfur bacteria.
Photosynth.Res., 100, 2009
7XYQ
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BU of 7xyq by Molmil
Crystal strucutre of PD-L1 and the computationally designed DBL1_03 protein binder
分子名称: ARGININE, CD274 molecule, DBL1_03
著者Liu, K, Xu, Z, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S.
登録日2022-06-02
公開日2023-04-12
最終更新日2023-05-17
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023

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