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3MSL
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BU of 3msl by Molmil
Fragment Based Discovery and Optimisation of BACE-1 Inhibitors
分子名称: (3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide, Beta-secretase 1, IODIDE ION
著者Smith, M, Madden, J, Barker, J.
登録日2010-04-29
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment-based discovery and optimization of BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
4JXI
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BU of 4jxi by Molmil
Directed evolution and rational design of a de novo designed esterase toward improved catalysis. Northeast Structural Genomics Consortium (NESG) Target OR184
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, BROMIDE ION, GLYCEROL, ...
著者Kuzin, A, Smith, M.D, Richter, F, Lew, S, Seetharaman, R, Bryan, C, Lech, Z, Kiss, G, Moretti, R, Maglaqui, M, Xiao, R, Kohan, E, Smith, M, Everett, J.K, Nguyen, R, Pande, V, Hilvert, D, Kornhaber, G, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2013-03-28
公開日2013-05-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Directed evolution and rational design of a de novo designed esterase toward improved catalysis. Northeast Structural Genomics Consortium (NESG) Target OR184
To be Published
6UNT
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BU of 6unt by Molmil
Barrier-to-autointegration factor soaked in DMSO: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-13
公開日2020-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6URE
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BU of 6ure by Molmil
Barrier-to-autointegration factor Aqueous: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-23
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6URK
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BU of 6urk by Molmil
Barrier-to-autointegration factor soaked in Glycerol: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-23
公開日2020-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6USD
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BU of 6usd by Molmil
Barrier-to-autointegration factor soaked in ethanol: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-25
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6URJ
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BU of 6urj by Molmil
Barrier-to-autointegration factor soaked in Acetone: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-23
公開日2020-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6USB
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BU of 6usb by Molmil
Barrier-to-autointegration factor soaked in urea: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-25
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6US1
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BU of 6us1 by Molmil
Barrier-to-autointegration factor soaked in isobutanol: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-24
公開日2020-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6US7
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BU of 6us7 by Molmil
Barrier-to-autointegration factor soaked in TMAO: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-24
公開日2020-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6URL
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BU of 6url by Molmil
Barrier-to-autointegration factor soaked in isopropanol: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-23
公開日2020-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6URR
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BU of 6urr by Molmil
Barrier-to-autointegration factor soaked in Dioxane: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-24
公開日2020-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6USI
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BU of 6usi by Molmil
Barrier-to-autointegration factor soaked in 1,6-hexanediol: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-26
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6URZ
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BU of 6urz by Molmil
Barrier-to-autointegration factor soaked in methanol: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL, METHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-24
公開日2020-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6URN
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BU of 6urn by Molmil
Barrier-to-autointegration factor t-butanol: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-23
公開日2020-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6US0
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BU of 6us0 by Molmil
Barrier-to-autointegration factor soaked in R,S,R-bisfuranol (RSR): 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-24
公開日2020-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
1PIH
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BU of 1pih by Molmil
THE THREE DIMENSIONAL STRUCTURE OF THE PARAMAGNETIC PROTEIN HIPIP I FROM E.HALOPHILA THROUGH NUCLEAR MAGNETIC RESONANCE
分子名称: HIGH POTENTIAL IRON SULFUR PROTEIN, IRON/SULFUR CLUSTER
著者Banci, L, Bertini, I, Eltis, L.D, Felli, I, Kastrau, D.H.W, Luchinat, C, Piccioli, M, Pierattelli, R, Smith, M.
登録日1994-08-03
公開日1994-12-20
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献The three-dimensional structure in solution of the paramagnetic high-potential iron-sulfur protein I from Ectothiorhodospira halophila through nuclear magnetic resonance.
Eur.J.Biochem., 225, 1994
1PIJ
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BU of 1pij by Molmil
THE THREE DIMENSIONAL STRUCTURE OF THE PARAMAGNETIC PROTEIN HIPIP I FROM E.HALOPHILA THROUGH NUCLEAR MAGNETIC RESONANCE
分子名称: HIGH POTENTIAL IRON SULFUR PROTEIN, IRON/SULFUR CLUSTER
著者Banci, L, Bertini, I, Eltis, L.D, Felli, I.C, Kastrau, D.H.W, Luchinat, C, Piccioli, M, Pierattelli, R, Smith, M.
登録日1994-11-11
公開日1995-02-07
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献The three-dimensional structure in solution of the paramagnetic high-potential iron-sulfur protein I from Ectothiorhodospira halophila through nuclear magnetic resonance.
Eur.J.Biochem., 225, 1994
3EV0
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BU of 3ev0 by Molmil
Crystal Structure of Ribonuclease A in 70% Dimethyl Sulfoxide
分子名称: DIMETHYL SULFOXIDE, Ribonuclease pancreatic
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EV3
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BU of 3ev3 by Molmil
Crystal Structure of Ribonuclease A in 70% t-Butanol
分子名称: Ribonuclease pancreatic, TERTIARY-BUTYL ALCOHOL
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EUY
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BU of 3euy by Molmil
Crystal Structure of Ribonuclease A in 50% Dioxane
分子名称: 1,4-DIETHYLENE DIOXIDE, Ribonuclease pancreatic
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EV6
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BU of 3ev6 by Molmil
Crystal Structure of Ribonuclease A in 50% R,S,R-Bisfuranol
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol, Ribonuclease pancreatic
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EUX
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BU of 3eux by Molmil
Crystal Structure of Crosslinked Ribonuclease A
分子名称: Ribonuclease pancreatic
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EV4
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BU of 3ev4 by Molmil
Crystal Structure of Ribonuclease A in 50% Trifluoroethanol
分子名称: Ribonuclease pancreatic, TRIFLUOROETHANOL
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EUZ
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BU of 3euz by Molmil
Crystal Structure of Ribonuclease A in 50% Dimethylformamide
分子名称: DIMETHYLFORMAMIDE, Ribonuclease pancreatic
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009

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