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PDB: 1814 件
2O8E
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BU of 2o8e by Molmil
human MutSalpha (MSH2/MSH6) bound to a G T mispair, with ADP bound to MSH2 only
分子名称: 5'-D(*CP*CP*TP*AP*GP*CP*CP*TP*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*GP*GP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ...
著者Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S.
登録日2006-12-12
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of the Human MutSalpha DNA Lesion Recognition Complex.
Mol.Cell, 26, 2007
2PAD
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BU of 2pad by Molmil
BINDING OF CHLOROMETHYL KETONE SUBSTRATE ANALOGUES TO CRYSTALLINE PAPAIN
分子名称: CYSTEINE, PAPAIN
著者Drenth, J, Kalk, K.H, Swen, H.M.
登録日1976-11-01
公開日1977-04-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding of chloromethyl ketone substrate analogues to crystalline papain.
Biochemistry, 15, 1976
3EZ5
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BU of 3ez5 by Molmil
Cocrystal structure of Bacillus fragment DNA polymerase I with duplex DNA , dCTP, and zinc (closed form).
分子名称: 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, 5'-D(*DAP*DTP*DTP*DCP*DGP*DAP*DGP*DTP*DCP*DAP*DGP*DG)-3', 5'-D(*DCP*DCP*DTP*DGP*DAP*DCP*DTP*DCP*DG)-3', ...
著者Warren, J.J, Wu, E.Y, Golosov, A.A, Karplus, M, Beese, L.S.
登録日2008-10-22
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Mechanism of the Translocation Step in DNA Replication by DNA Polymerase I: A Computer Simulation Analysis.
Structure, 18, 2010
2O8F
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BU of 2o8f by Molmil
human MutSalpha (MSH2/MSH6) bound to DNA with a single base T insert
分子名称: 5'-D(*CP*GP*CP*TP*AP*GP*CP*GP*TP*GP*CP*GP*GP*CP*CP*GP*TP*C)-3', 5'-D(*GP*AP*CP*GP*GP*CP*CP*GP*CP*CP*GP*CP*TP*AP*GP*CP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ...
著者Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S.
登録日2006-12-12
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structure of the Human MutSalpha DNA Lesion Recognition Complex.
Mol.Cell, 26, 2007
2O8D
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human MutSalpha (MSH2/MSH6) bound to ADP and a G dU mispair
分子名称: 5'-D(*CP*CP*TP*AP*GP*CP*GP*(DU)P*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*GP*CP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ...
著者Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S.
登録日2006-12-12
公開日2007-06-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the Human MutSalpha DNA Lesion Recognition Complex.
Mol.Cell, 26, 2007
2PQ3
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BU of 2pq3 by Molmil
N-Terminal Calmodulin Zn-Trapped Intermediate
分子名称: CACODYLATE ION, Calmodulin, ZINC ION
著者Warren, J.T, Guo, Q, Tang, W.J.
登録日2007-05-01
公開日2007-10-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A 1.3-A structure of zinc-bound N-terminal domain of calmodulin elucidates potential early ion-binding step.
J.Mol.Biol., 374, 2007
2Q8S
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BU of 2q8s by Molmil
X-ray Crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a PPAR gamma/alpha dual agonist
分子名称: (2S)-3-{4-[3-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)PROPYL]PHENYL}-2-(1H-PYRROL-1-YL)PROPANOIC ACID, Peroxisome proliferator-activated receptor gamma
著者Ohren, J.F.
登録日2007-06-11
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Effects of modifications of the linker in a series of phenylpropanoic acid derivatives: Synthesis, evaluation as PPARalpha/gamma dual agonists, and X-ray crystallographic studies.
Bioorg.Med.Chem., 16, 2008
1G9E
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BU of 1g9e by Molmil
SOLUTION STRUCTURE AND RELAXATION MEASUREMENTS OF AN ANTIGEN-FREE HEAVY CHAIN VARIABLE DOMAIN (VHH) FROM LLAMA
分子名称: H14
著者Renisio, J.-G, Perez, J, Czisch, M, Guenneugues, M, Bornet, O, Frenken, L, Cambillau, C, Darbon, H.
登録日2000-11-23
公開日2002-10-23
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structure and backbone dynamics of an antigen-free heavy chain variable domain (VHH) from Llama
Proteins, 47, 2002
2QBX
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BU of 2qbx by Molmil
EphB2/SNEW Antagonistic Peptide Complex
分子名称: Ephrin type-B receptor 2, SULFATE ION, antagonistic peptide
著者Chrencik, J.E, Brooun, A, Recht, M.I, Nicola, G, Pasquale, E.B, Kuhn, P, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
登録日2007-06-18
公開日2007-11-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Three-dimensional structure of the EphB2 receptor in complex with an antagonistic peptide reveals a novel mode of inhibition.
J.Biol.Chem., 282, 2007
1XQC
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BU of 1xqc by Molmil
X-ray structure of ERalpha LBD bound to a tetrahydroisoquinoline SERM ligand at 2.05A resolution
分子名称: (1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL, Estrogen receptor
著者Renaud, J, Bischoff, S.F, Buhl, T, Floersheim, P, Fournier, B, Geiser, M, Halleux, C, Kallen, J, Keller, H.J, Ramage, P.
登録日2004-10-12
公開日2005-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Selective Estrogen Receptor Modulators with Conformationally Restricted Side Chains. Synthesis and Structure-Activity Relationship of ERalpha-Selective Tetrahydroisoquinoline Ligands
J.Med.Chem., 48, 2005
2ABJ
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BU of 2abj by Molmil
Crystal structure of human branched chain amino acid transaminase in a complex with an inhibitor, C16H10N2O4F3SCl, and pyridoxal 5' phosphate.
分子名称: Branched-chain-amino-acid aminotransferase, cytosolic, N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE, ...
著者Ohren, J.F, Moreland, D.W, Rubin, J.R, Hu, H.L, McConnell, P.C, Mistry, A, Mueller, W.T, Scholten, J.D, Hasemann, C.H.
登録日2005-07-15
公開日2006-06-27
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The design and synthesis of human branched-chain amino acid aminotransferase inhibitors for treatment of neurodegenerative diseases.
Bioorg.Med.Chem.Lett., 16, 2006
1PAD
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BU of 1pad by Molmil
Binding of chloromethyl ketone substrate analogues to crystalline papain
分子名称: ACETYL-ALA-ALA-PHE-ALA-CHLOROMETHYLKETONE INHIBITOR, PAPAIN
著者Drenth, J, Kalk, K.H, Swen, H.M.
登録日1976-11-01
公開日1977-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding of chloromethyl ketone substrate analogues to crystalline papain.
Biochemistry, 15, 1976
289D
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BU of 289d by Molmil
TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2
分子名称: 2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN, DNA (5'-R(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Trent, J.O, Clark, G.R, Kumar, A, Wilson, W.D, Boykin, D.W, Hall, J.E, Tidwell, R.R, Blagburn, B.L, Neidle, S.
登録日1996-10-10
公開日1996-12-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeting the minor groove of DNA: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2.
J.Med.Chem., 39, 1996
298D
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BU of 298d by Molmil
TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2
分子名称: 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Trent, J.O, Clark, G.R, Kumar, A, Wilson, W.D, Boykin, D.W, Hall, J.E, Tidwell, R.R, Blagburn, B.L, Neidle, S.
登録日1996-10-10
公開日1996-12-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeting the minor groove of DNA: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2.
J.Med.Chem., 39, 1996
7H6V
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BU of 7h6v by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1262633486 (CHIKV_MacB-x0394)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7D
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z422410426 (CHIKV_MacB-x0721)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7K
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BU of 7h7k by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z768399682 (CHIKV_MacB-x0858)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H88
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BU of 7h88 by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741972444 (CHIKV_MacB-x1134)
分子名称: (1Z)-N-hydroxy-2-methylpropanimidamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8I
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BU of 7h8i by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z362772344 (CHIKV_MacB-x1194)
分子名称: 1,4,6-trimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8W
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BU of 7h8w by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z19674820 (CHIKV_MacB-x1316)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-HYDROXY-BENZOIC ACID METHYL ESTER, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H6Q
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BU of 7h6q by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1148165337 (CHIKV_MacB-x0312)
分子名称: 2-(1H-indazol-1-yl)-N,N-dimethylacetamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H9B
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BU of 7h9b by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1201619441 (CHIKV_MacB-x1417)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, CHLORIDE ION, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7E
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z432057220 (CHIKV_MacB-x0732)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7P
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z32968340 (CHIKV_MacB-x0926)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H81
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z940713508 (CHIKV_MacB-x1114)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published

222415

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