2O8E
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![BU of 2o8e by Molmil](/molmil-images/mine/2o8e) | human MutSalpha (MSH2/MSH6) bound to a G T mispair, with ADP bound to MSH2 only | Descriptor: | 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, ... | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | Deposit date: | 2006-12-12 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex. Mol.Cell, 26, 2007
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2PAD
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![BU of 2pad by Molmil](/molmil-images/mine/2pad) | |
3EZ5
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![BU of 3ez5 by Molmil](/molmil-images/mine/3ez5) | Cocrystal structure of Bacillus fragment DNA polymerase I with duplex DNA , dCTP, and zinc (closed form). | Descriptor: | 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', ... | Authors: | Warren, J.J, Wu, E.Y, Golosov, A.A, Karplus, M, Beese, L.S. | Deposit date: | 2008-10-22 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Mechanism of the Translocation Step in DNA Replication by DNA Polymerase I: A Computer Simulation Analysis. Structure, 18, 2010
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2O8F
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![BU of 2o8f by Molmil](/molmil-images/mine/2o8f) | human MutSalpha (MSH2/MSH6) bound to DNA with a single base T insert | Descriptor: | 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, ... | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | Deposit date: | 2006-12-12 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex. Mol.Cell, 26, 2007
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2O8D
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![BU of 2o8d by Molmil](/molmil-images/mine/2o8d) | human MutSalpha (MSH2/MSH6) bound to ADP and a G dU mispair | Descriptor: | 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, ... | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | Deposit date: | 2006-12-12 | Release date: | 2007-06-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex. Mol.Cell, 26, 2007
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2PQ3
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![BU of 2pq3 by Molmil](/molmil-images/mine/2pq3) | N-Terminal Calmodulin Zn-Trapped Intermediate | Descriptor: | CACODYLATE ION, Calmodulin, ZINC ION | Authors: | Warren, J.T, Guo, Q, Tang, W.J. | Deposit date: | 2007-05-01 | Release date: | 2007-10-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A 1.3-A structure of zinc-bound N-terminal domain of calmodulin elucidates potential early ion-binding step. J.Mol.Biol., 374, 2007
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2Q8S
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1G9E
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![BU of 1g9e by Molmil](/molmil-images/mine/1g9e) | SOLUTION STRUCTURE AND RELAXATION MEASUREMENTS OF AN ANTIGEN-FREE HEAVY CHAIN VARIABLE DOMAIN (VHH) FROM LLAMA | Descriptor: | H14 | Authors: | Renisio, J.-G, Perez, J, Czisch, M, Guenneugues, M, Bornet, O, Frenken, L, Cambillau, C, Darbon, H. | Deposit date: | 2000-11-23 | Release date: | 2002-10-23 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of an antigen-free heavy chain variable
domain (VHH) from Llama Proteins, 47, 2002
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2QBX
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![BU of 2qbx by Molmil](/molmil-images/mine/2qbx) | EphB2/SNEW Antagonistic Peptide Complex | Descriptor: | Ephrin type-B receptor 2, SULFATE ION, antagonistic peptide | Authors: | Chrencik, J.E, Brooun, A, Recht, M.I, Nicola, G, Pasquale, E.B, Kuhn, P, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D) | Deposit date: | 2007-06-18 | Release date: | 2007-11-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Three-dimensional structure of the EphB2 receptor in complex with an antagonistic peptide reveals a novel mode of inhibition. J.Biol.Chem., 282, 2007
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1XQC
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![BU of 1xqc by Molmil](/molmil-images/mine/1xqc) | X-ray structure of ERalpha LBD bound to a tetrahydroisoquinoline SERM ligand at 2.05A resolution | Descriptor: | (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 | Authors: | Renaud, J, Bischoff, S.F, Buhl, T, Floersheim, P, Fournier, B, Geiser, M, Halleux, C, Kallen, J, Keller, H.J, Ramage, P. | Deposit date: | 2004-10-12 | Release date: | 2005-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Selective Estrogen Receptor Modulators with Conformationally Restricted Side Chains. Synthesis and Structure-Activity Relationship of ERalpha-Selective Tetrahydroisoquinoline Ligands J.Med.Chem., 48, 2005
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2ABJ
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![BU of 2abj by Molmil](/molmil-images/mine/2abj) | Crystal structure of human branched chain amino acid transaminase in a complex with an inhibitor, C16H10N2O4F3SCl, and pyridoxal 5' phosphate. | Descriptor: | Branched-chain-amino-acid aminotransferase, cytosolic, N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE, ... | Authors: | 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. | Deposit date: | 2005-07-15 | Release date: | 2006-06-27 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The design and synthesis of human branched-chain amino acid aminotransferase inhibitors for treatment of neurodegenerative diseases. Bioorg.Med.Chem.Lett., 16, 2006
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1PAD
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![BU of 1pad by Molmil](/molmil-images/mine/1pad) | |
289D
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![BU of 289d by Molmil](/molmil-images/mine/289d) | TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2 | Descriptor: | 2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN, DNA (5'-R(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | 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. | Deposit date: | 1996-10-10 | Release date: | 1996-12-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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
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298D
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![BU of 298d by Molmil](/molmil-images/mine/298d) | TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2 | Descriptor: | 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') | Authors: | 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. | Deposit date: | 1996-10-10 | Release date: | 1996-12-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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
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7H6V
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![BU of 7h6v by Molmil](/molmil-images/mine/7h6v) | 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) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide, CHLORIDE ION, ... | Authors: | 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. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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7H7D
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![BU of 7h7d by Molmil](/molmil-images/mine/7h7d) | 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) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | 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. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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7H7K
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![BU of 7h7k by Molmil](/molmil-images/mine/7h7k) | 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) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | 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. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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7H88
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![BU of 7h88 by Molmil](/molmil-images/mine/7h88) | 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) | Descriptor: | (1Z)-N-hydroxy-2-methylpropanimidamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | 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. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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7H8I
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![BU of 7h8i by Molmil](/molmil-images/mine/7h8i) | 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) | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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7H8W
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![BU of 7h8w by Molmil](/molmil-images/mine/7h8w) | 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) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-HYDROXY-BENZOIC ACID METHYL ESTER, CHLORIDE ION, ... | Authors: | 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. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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7H6Q
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![BU of 7h6q by Molmil](/molmil-images/mine/7h6q) | 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) | Descriptor: | 2-(1H-indazol-1-yl)-N,N-dimethylacetamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | 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. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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7H9B
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![BU of 7h9b by Molmil](/molmil-images/mine/7h9b) | 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) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, CHLORIDE ION, ... | Authors: | 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. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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7H7E
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![BU of 7h7e by Molmil](/molmil-images/mine/7h7e) | 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) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | 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. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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7H7P
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![BU of 7h7p by Molmil](/molmil-images/mine/7h7p) | 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) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | 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. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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7H81
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![BU of 7h81 by Molmil](/molmil-images/mine/7h81) | 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) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | 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. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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