1P8K
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1IKA
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3HOJ
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4GCH
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1D4K
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![BU of 1d4k by Molmil](/molmil-images/mine/1d4k) | HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR | 分子名称: | HIV-1 PROTEASE, N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE, SULFATE ION | 著者 | Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P. | 登録日 | 1999-10-04 | 公開日 | 2000-10-11 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease. J.Med.Chem., 43, 2000
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1D4L
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![BU of 1d4l by Molmil](/molmil-images/mine/1d4l) | HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR | 分子名称: | (10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE, HIV-1 PROTEASE, SULFATE ION | 著者 | Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P. | 登録日 | 1999-10-04 | 公開日 | 2000-10-11 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease. J.Med.Chem., 43, 2000
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1U3E
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![BU of 1u3e by Molmil](/molmil-images/mine/1u3e) | DNA binding and cleavage by the HNH homing endonuclease I-HmuI | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 36-MER, ... | 著者 | Shen, B.W, Landthaler, M, Shub, D.A, Stoddard, B.L. | 登録日 | 2004-07-21 | 公開日 | 2004-08-31 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | 主引用文献 | DNA Binding and Cleavage by the HNH Homing Endonuclease I-HmuI. J.Mol.Biol., 342, 2004
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6EG7
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![BU of 6eg7 by Molmil](/molmil-images/mine/6eg7) | BbvCI B2 dimer with I3C clusters | 分子名称: | 1,2-ETHANEDIOL, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, BbvCI endonuclease subunit 2, ... | 著者 | Shen, B.W, Stoddard, B.L. | 登録日 | 2018-08-19 | 公開日 | 2018-11-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structure, subunit organization and behavior of the asymmetric Type IIT restriction endonuclease BbvCI. Nucleic Acids Res., 47, 2019
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5BVB
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![BU of 5bvb by Molmil](/molmil-images/mine/5bvb) | Engineered Digoxigenin binder DIG5.1a | 分子名称: | DIG5.1a, DIGOXIGENIN | 著者 | Doyle, L.A, Stoddard, B.L. | 登録日 | 2015-06-04 | 公開日 | 2015-10-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge. J.Chem.Inf.Model., 56, 2016
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1UJZ
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![BU of 1ujz by Molmil](/molmil-images/mine/1ujz) | Crystal structure of the E7_C/Im7_C complex; a computationally designed interface between the colicin E7 DNase and the Im7 Immunity protein | 分子名称: | Designed Colicin E7 DNase, Designed Colicin E7 immunity protein | 著者 | Kortemme, T, Joachimiak, L.A, Bullock, A.N, Schuler, A.D, Stoddard, B.L, Baker, D. | 登録日 | 2003-08-13 | 公開日 | 2004-04-06 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Computational redesign of protein-protein interaction specificity NAT.STRUCT.MOL.BIOL., 11, 2004
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6XR2
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4QQ8
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![BU of 4qq8 by Molmil](/molmil-images/mine/4qq8) | Crystal structure of the formolase FLS in space group P 43 21 2 | 分子名称: | 1,2-ETHANEDIOL, Formolase, MAGNESIUM ION, ... | 著者 | Shen, B.W, Siegel, J.B, Stoddard, B.L. | 登録日 | 2014-06-26 | 公開日 | 2015-03-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Computational protein design enables a novel one-carbon assimilation pathway. Proc.Natl.Acad.Sci.USA, 112, 2015
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6XR1
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6M9G
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![BU of 6m9g by Molmil](/molmil-images/mine/6m9g) | BbvCI B2 dimer with Ta6Br14 clusters | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, BROMIDE ION, ... | 著者 | Shen, B.W, Stoddard, B.L. | 登録日 | 2018-08-23 | 公開日 | 2018-11-14 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structure, subunit organization and behavior of the asymmetric Type IIT restriction endonuclease BbvCI. Nucleic Acids Res., 47, 2019
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6MAG
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![BU of 6mag by Molmil](/molmil-images/mine/6mag) | native BbvCI B2 dimer in space group C222 | 分子名称: | ACETATE ION, BbvCI endonuclease subunit 2, GLYCEROL, ... | 著者 | Shen, B.W, Stoddard, B.L. | 登録日 | 2018-08-27 | 公開日 | 2018-11-14 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Structure, subunit organization and behavior of the asymmetric Type IIT restriction endonuclease BbvCI. Nucleic Acids Res., 47, 2019
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5E67
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![BU of 5e67 by Molmil](/molmil-images/mine/5e67) | K103A/K262A double mutant of I-SmaMI | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, DNA bottom strand, ... | 著者 | Shen, B.W, Stoddard, B. | 登録日 | 2015-10-09 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease. J.Mol.Biol., 428, 2016
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6UVW
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4R58
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6UWK
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6UWH
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6UWJ
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6UWG
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5JSB
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![BU of 5jsb by Molmil](/molmil-images/mine/5jsb) | Crystal structure of Mcl1-inhibitor complex | 分子名称: | Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 inhibitor | 著者 | Shen, B.W, Stoddard, B.L. | 登録日 | 2016-05-07 | 公開日 | 2016-11-16 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer. Elife, 5, 2016
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7R9G
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![BU of 7r9g by Molmil](/molmil-images/mine/7r9g) | Catalytically inactive yeast Pseudouridine Synthase, PUS1, bound to RNA | 分子名称: | CHLORIDE ION, RNA (5'-R(*AP*AP*AP*UP*CP*GP*GP*GP*AP*UP*UP*CP*CP*GP*GP*AP*UP*A)-3'), SULFATE ION, ... | 著者 | Doyle, L.A, Stoddard, B.L. | 登録日 | 2021-06-29 | 公開日 | 2021-12-15 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The structural basis of mRNA recognition and binding by yeast pseudouridine synthase PUS1. Plos One, 18, 2023
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7RCF
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