1MU8
 
 | | thrombin-hirugen_l-378,650 | | 分子名称: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | | 著者 | Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J. | | 登録日 | 2002-09-23 | | 公開日 | 2004-04-06 | | 最終更新日 | 2021-07-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.
J.Med.Chem., 46, 2003
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1K0N
 | | Chloride Intracellular Channel 1 (CLIC1) complexed with glutathione | | 分子名称: | CHLORIDE INTRACELLULAR CHANNEL PROTEIN 1, GLUTATHIONE | | 著者 | Harrop, S.J, DeMaere, M.Z, Fairlie, W.D, Reztsova, T, Valenzuela, S.M, Mazzanti, M, Tonini, R, Qiu, M.R, Jankova, L, Warton, K, Bauskin, A.R, Wu, W.M, Pankhurst, S, Campbell, T.J, Breit, S.N, Curmi, P.M.G. | | 登録日 | 2001-09-19 | | 公開日 | 2001-12-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of a soluble form of the intracellular chloride ion channel CLIC1 (NCC27) at 1.4-A resolution.
J.Biol.Chem., 276, 2001
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7JU3
 | | MtrR bound to the mtrCDE operator from Neisseria gonorrhoeae | | 分子名称: | CALCIUM ION, DNA (5'-D(*AP*CP*AP*TP*AP*CP*AP*CP*GP*AP*TP*TP*GP*CP*AP*CP*GP*GP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*CP*CP*GP*TP*GP*CP*AP*AP*TP*CP*GP*TP*GP*TP*AP*TP*GP*T)-3'), ... | | 著者 | Beggs, G.A, Shafer, W.M, Brennan, R.G. | | 登録日 | 2020-08-19 | | 公開日 | 2021-03-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structures of Neisseria gonorrhoeae MtrR-operator complexes reveal molecular mechanisms of DNA recognition and antibiotic resistance-conferring clinical mutations.
Nucleic Acids Res., 49, 2021
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7JNP
 | | MtrR bound to the rpoH operator from Neisseria gonorrhoeae | | 分子名称: | CALCIUM ION, DNA (5'-D(*TP*AP*CP*AP*TP*AP*CP*GP*TP*GP*GP*TP*TP*GP*TP*AP*TP*GP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*AP*CP*AP*TP*AP*CP*AP*AP*CP*CP*AP*CP*GP*TP*AP*TP*GP*TP*A)-3'), ... | | 著者 | Beggs, G.A, Shafer, W.M, Brennan, R.G. | | 登録日 | 2020-08-05 | | 公開日 | 2021-03-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structures of Neisseria gonorrhoeae MtrR-operator complexes reveal molecular mechanisms of DNA recognition and antibiotic resistance-conferring clinical mutations.
Nucleic Acids Res., 49, 2021
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3ES5
 | | Crystal Structure of Partitivirus (PsV-F) | | 分子名称: | Putative capsid protein | | 著者 | Pan, J, Dong, L, Lin, L, Ochoa, W.F, Sinkovits, R.S, Havens, W.M, Nibert, M.L, Baker, T.S, Ghabrial, S.A, Tao, Y.J. | | 登録日 | 2008-10-03 | | 公開日 | 2009-03-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Atomic structure reveals the unique capsid organization of a dsRNA virus.
Proc.Natl.Acad.Sci.USA, 106, 2009
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7KB0
 | | O-acety-L-homoserine aminocarboxypropyltransferase (MetY) from Thermotoga maritima with pyridoxal-5-phosphate (PLP) bound in the internal aldimine state | | 分子名称: | O-acetyl-L-homoserine sulfhydrylase | | 著者 | Brewster, J.L, Pachl, P, Squire, C, Selmer, M, Patrick, W.M. | | 登録日 | 2020-10-01 | | 公開日 | 2021-06-23 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structures and kinetics of Thermotoga maritima MetY reveal new insights into the predominant sulfurylation enzyme of bacterial methionine biosynthesis.
J.Biol.Chem., 296, 2021
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7KB1
 | | Complex of O-acety-L-homoserine aminocarboxypropyltransferase (MetY) from Thermotoga maritima and a key reaction intermediate | | 分子名称: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, MAGNESIUM ION, O-acetyl-L-homoserine sulfhydrylase, ... | | 著者 | Brewster, J.L, Pachl, P, Squire, C, Selmer, M, Patrick, W.M. | | 登録日 | 2020-10-01 | | 公開日 | 2021-06-23 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structures and kinetics of Thermotoga maritima MetY reveal new insights into the predominant sulfurylation enzyme of bacterial methionine biosynthesis.
J.Biol.Chem., 296, 2021
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1K3O
 | | Crystal Structure Analysis of apo Glutathione S-Transferase | | 分子名称: | GLUTATHIONE S-TRANSFERASE A1 | | 著者 | Le Trong, I, Stenkamp, R.E, Ibarra, C, Atkins, W.M, Adman, E.T. | | 登録日 | 2001-10-03 | | 公開日 | 2002-10-30 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 1.3-A resolution structure of human glutathione S-transferase with S-hexyl glutathione bound reveals possible extended ligandin binding site.
Proteins, 48, 2002
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1MU6
 | | Crystal Structure of Thrombin in Complex with L-378,622 | | 分子名称: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | | 著者 | Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J. | | 登録日 | 2002-09-23 | | 公開日 | 2004-04-06 | | 最終更新日 | 2021-07-21 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.
J.Med.Chem., 46, 2003
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1NC6
 | | Potent, small molecule inhibitors of human mast cell tryptase. Anti-asthmatic action of a dipeptide-based transition state analogue containing benzothiazole ketone | | 分子名称: | (2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-BENZOTHIAZOLYLCARBONYL)BUTYL]-4-HYDROXY-2-PYRROLIDINECARBOXAMIDE, CALCIUM ION, SULFATE ION, ... | | 著者 | Costanzo, M.J, Yabut, S.C, Almond Jr, H.R, Andrade-Gordon, P, Corcoran, T.W, de Garavilla, L, Kauffman, J.A, Abraham, W.M, Recacha, R, Chattopadhyay, D, Maryanoff, B.E. | | 登録日 | 2002-12-04 | | 公開日 | 2003-09-23 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Potent, Small-Molecule Inhibitors of Human Mast Cell Tryptase. Antiasthmatic Action of a Dipeptide-Based Transition-State Analogue Containing a Benzothiazole Ketone.
J.Med.Chem., 46, 2003
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6DHB
 | | Crystal structure of the human TIM-3 with bound Calcium | | 分子名称: | 1,2-ETHANEDIOL, BENZOIC ACID, CALCIUM ION, ... | | 著者 | Gandhi, A.K, Kim, W.M, Huang, Y.H, Bonsor, D, Sundberg, E, Sun, Z.-Y, Petsko, G.A, Kuchroo, V, Blumberg, R.S. | | 登録日 | 2018-05-19 | | 公開日 | 2018-12-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | High resolution X-ray and NMR structural study of human T-cell immunoglobulin and mucin domain containing protein-3.
Sci Rep, 8, 2018
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6EIK
 | | A de novo designed heptameric coiled coil CC-Hept-I24E | | 分子名称: | CC-Hept-I24E, FORMIC ACID, GLYCEROL | | 著者 | Rhys, G.G, Burton, A.J, Dawson, W.M, Thomas, F, Woolfson, D.N. | | 登録日 | 2017-09-19 | | 公開日 | 2018-07-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | De Novo-Designed alpha-Helical Barrels as Receptors for Small Molecules.
ACS Synth Biol, 7, 2018
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6F7J
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6F7S
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6F7P
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6F8D
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6EIZ
 | | A de novo designed hexameric coiled coil CC-Hex2 with farnesol bound in the channel. | | 分子名称: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, CC-Hex2 | | 著者 | Rhys, G.G, Burton, A.J, Dawson, W.M, Thomas, F, Woolfson, D.N. | | 登録日 | 2017-09-19 | | 公開日 | 2018-07-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | De Novo-Designed alpha-Helical Barrels as Receptors for Small Molecules.
ACS Synth Biol, 7, 2018
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7KWZ
 | | TDP-43 LCD amyloid fibrils | | 分子名称: | Isoform 2 of TAR DNA-binding protein 43 | | 著者 | Li, Q, Babinchak, W.M, Surewicz, W.K. | | 登録日 | 2020-12-02 | | 公開日 | 2021-02-24 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Cryo-EM structure of amyloid fibrils formed by the entire low complexity domain of TDP-43.
Nat Commun, 12, 2021
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7NFJ
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7NFL
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7NFF
 | | An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24A. | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CC-Type2-(LaId)4-I24A, GLYCEROL | | 著者 | Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | | 登録日 | 2021-02-07 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
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7NFM
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7NFO
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7NFI
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7NFP
 | | A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I17K | | 分子名称: | CC-Type2-(LaId)4-I17K, GLYCEROL | | 著者 | Burton, A.J, Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | | 登録日 | 2021-02-07 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
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