7QYF
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![BU of 7qyf by Molmil](/molmil-images/mine/7qyf) | Structure of the transaminase PluriZyme variant (TR2E2) | 分子名称: | Aminotransferase TR2 | 著者 | Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V. | 登録日 | 2022-01-28 | 公開日 | 2023-07-26 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions. Angew Chem Int Ed Engl, 61, 2022
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7QQB
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![BU of 7qqb by Molmil](/molmil-images/mine/7qqb) | Crystal structure of the envelope glycoprotein complex of Puumala virus in complex with the scFv fragment of the broadly neutralizing human antibody ADI-42898 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein, GLYCEROL, ... | 著者 | Serris, A, Rey, F.A, Guardado-Calvo, P. | 登録日 | 2022-01-07 | 公開日 | 2023-06-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural and mechanistic basis of neutralization by a pan-hantavirus protective antibody. Sci Transl Med, 15, 2023
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7QX3
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![BU of 7qx3 by Molmil](/molmil-images/mine/7qx3) | Structure of the transaminase TR2E2 with EOS | 分子名称: | 2-azanylethyl hydrogen sulfate, Aminotransferase TR2 | 著者 | Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V. | 登録日 | 2022-01-26 | 公開日 | 2023-08-16 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions. Angew.Chem.Int.Ed.Engl., 61, 2022
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7QX0
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![BU of 7qx0 by Molmil](/molmil-images/mine/7qx0) | Transaminase Structure of Plurienzyme (Tr2E2) in complex with PLP | 分子名称: | Aminotransferase TR2, PYRIDOXAL-5'-PHOSPHATE | 著者 | Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V. | 登録日 | 2022-01-26 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions. Angew Chem Int Ed Engl, 61, 2022
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7QYG
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![BU of 7qyg by Molmil](/molmil-images/mine/7qyg) | Structure of the transaminase TR2 | 分子名称: | Aminotransferase TR2 | 著者 | Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V. | 登録日 | 2022-01-28 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions. Angew Chem Int Ed Engl, 61, 2022
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7RAY
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![BU of 7ray by Molmil](/molmil-images/mine/7ray) | Crystal structure of MBD2 with DNA | 分子名称: | DNA (5'-D(*GP*CP*CP*AP*A)-R(P*(5MC))-D(P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION | 著者 | Liu, K, Dong, A, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2021-07-05 | 公開日 | 2021-07-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Crystal structure of MBD2 with DNA To Be Published
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4U2A
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![BU of 4u2a by Molmil](/molmil-images/mine/4u2a) | Structure of a lectin from the seeds of Vatairea macrocarpa complexed with GalNAc | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, CITRIC ACID, ... | 著者 | Sousa, B.L, Silva-Filho, J.C, Kumar, P, Lyskowski, A, Bezerra, G.A, Delatorre, P, Rocha, B.A.M, Nagano, C.S, Gruber, K, Cavada, B.S. | 登録日 | 2014-07-16 | 公開日 | 2014-12-31 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | High-resolution structure of a new Tn antigen-binding lectin from Vatairea macrocarpa and a comparative analysis of Tn-binding legume lectins. Int.J.Biochem.Cell Biol., 59C, 2014
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8DV3
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![BU of 8dv3 by Molmil](/molmil-images/mine/8dv3) | Crystal structure of human CD1b presenting Phosphatidylinositol C34:1 | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Farquhar, R, Rossjohn, J, Shahine, A. | 登録日 | 2022-07-28 | 公開日 | 2023-04-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | alpha beta T-cell receptor recognition of self-phosphatidylinositol presented by CD1b. J.Biol.Chem., 299, 2023
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7RSF
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![BU of 7rsf by Molmil](/molmil-images/mine/7rsf) | Acetylornithine deacetylase from Escherichia coli | 分子名称: | Acetylornithine deacetylase, CHLORIDE ION, GLYCEROL, ... | 著者 | Osipiuk, J, Endres, M, Becker, D.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2021-08-11 | 公開日 | 2021-08-18 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Acetylornithine deacetylase from Escherichia coli To Be Published
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8DV4
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![BU of 8dv4 by Molmil](/molmil-images/mine/8dv4) | Crystal structure of the BC8B TCR-CD1b-PI complex | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Farquhar, R, Rossjohn, J, Shahine, A. | 登録日 | 2022-07-28 | 公開日 | 2023-04-19 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | alpha beta T-cell receptor recognition of self-phosphatidylinositol presented by CD1b. J.Biol.Chem., 299, 2023
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4TVH
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![BU of 4tvh by Molmil](/molmil-images/mine/4tvh) | HIV Protease (PR) dimer in closed form with TL-3 in active site and fragment AK-2097 in the outside/top of flap | 分子名称: | 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ... | 著者 | Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D. | 登録日 | 2014-06-26 | 公開日 | 2014-09-17 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.195 Å) | 主引用文献 | Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease. J.Phys.Chem.B, 119, 2015
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8DU5
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![BU of 8du5 by Molmil](/molmil-images/mine/8du5) | Murine sialidase-1 (NEU1) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Sialidase-1, ... | 著者 | Gorelik, A, Illes, K, Nagar, B. | 登録日 | 2022-07-26 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Structure of the immunoregulatory sialidase NEU1. Sci Adv, 9, 2023
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7RSK
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![BU of 7rsk by Molmil](/molmil-images/mine/7rsk) | The crystal structure from microfluidic crystals of glycosyl hydrolase family 2 (GH2) member from Bacteroides cellulosilyticus | 分子名称: | Glycosyl hydrolase family 2, sugar binding domain protein | 著者 | Kim, Y, Nocek, B, Endres, M, Joachimiak, G, Johnson, J, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2021-08-11 | 公開日 | 2021-08-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The crystal structure from microfluidic crystals of glycosyl hydrolase family 2 (GH2) member from Bacteroides cellulosilyticus To Be Published
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7RT0
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![BU of 7rt0 by Molmil](/molmil-images/mine/7rt0) | |
8DXB
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![BU of 8dxb by Molmil](/molmil-images/mine/8dxb) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 5-fluoroindole-2-carboxylic acid at the NNRTI Adjacent site | 分子名称: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, 5-fluoroindole-2-carboxylic acid, ... | 著者 | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | 登録日 | 2022-08-02 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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8DXH
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![BU of 8dxh by Molmil](/molmil-images/mine/8dxh) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 5-fluoroquinazolin-4-ol at W266 site | 分子名称: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, 5-fluoranyl-3,4-dihydroquinazolin-4-ol, ... | 著者 | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | 登録日 | 2022-08-02 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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8DX8
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![BU of 8dx8 by Molmil](/molmil-images/mine/8dx8) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 2-chloro-6-fluorophenethylamine at the 415 site | 分子名称: | 1,2-ETHANEDIOL, 2-(2-chloro-6-fluorophenyl)ethan-1-amine, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | 著者 | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | 登録日 | 2022-08-02 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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8DXM
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![BU of 8dxm by Molmil](/molmil-images/mine/8dxm) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-bromophenol at the Knuckles site | 分子名称: | 1,2-ETHANEDIOL, 4-BROMOPHENOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | 著者 | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | 登録日 | 2022-08-02 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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7RAS
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![BU of 7ras by Molmil](/molmil-images/mine/7ras) | |
7RM5
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![BU of 7rm5 by Molmil](/molmil-images/mine/7rm5) | MicroED structure of the human adenosine receptor at 2.8A | 分子名称: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, CHOLESTEROL, ... | 著者 | Martynowycz, M.W, Shiriaeva, A, Ge, X, Hattne, J, Nannenga, B.L, Cherezov, V, Gonen, T. | 登録日 | 2021-07-26 | 公開日 | 2021-09-08 | 最終更新日 | 2023-10-18 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (2.79 Å) | 主引用文献 | MicroED structure of the human adenosine receptor determined from a single nanocrystal in LCP. Proc.Natl.Acad.Sci.USA, 118, 2021
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8DPY
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7RAU
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8DXI
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![BU of 8dxi by Molmil](/molmil-images/mine/8dxi) | HIV-1 reverse transcriptase/rilpivirine with bound fragment [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol at multiple sites | 分子名称: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | 登録日 | 2022-08-02 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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8DXK
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![BU of 8dxk by Molmil](/molmil-images/mine/8dxk) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-bromopyrazole at multiple sites | 分子名称: | 1,2-ETHANEDIOL, 4-bromo-1H-pyrazole, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | 著者 | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | 登録日 | 2022-08-02 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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7REI
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![BU of 7rei by Molmil](/molmil-images/mine/7rei) | The crystal structure of nickel bound human ADO C18S C239S variant | 分子名称: | 2-aminoethanethiol dioxygenase, GLYCEROL, NICKEL (II) ION | 著者 | Wang, Y, Shin, I, Li, J, Liu, A. | 登録日 | 2021-07-12 | 公開日 | 2021-09-15 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Crystal structure of human cysteamine dioxygenase provides a structural rationale for its function as an oxygen sensor. J.Biol.Chem., 297, 2021
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