6XL4
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![BU of 6xl4 by Molmil](/molmil-images/mine/6xl4) | EGFR(T790M/V948R) in complex with AZD9291 and DDC4002 | 分子名称: | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, Epidermal growth factor receptor, MAGNESIUM ION, ... | 著者 | Heppner, D.E, Beyett, T.S, Eck, M.J. | 登録日 | 2020-06-28 | 公開日 | 2021-06-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors. Nat Commun, 13, 2022
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7JUP
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![BU of 7jup by Molmil](/molmil-images/mine/7jup) | Structure of human TRPA1 in complex with antagonist compound 21 | 分子名称: | 1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one, Transient receptor potential cation channel subfamily A member 1 | 著者 | Rohou, A, Rouge, L. | 登録日 | 2020-08-20 | 公開日 | 2021-03-31 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | 主引用文献 | Tetrahydrofuran-Based Transient Receptor Potential Ankyrin 1 (TRPA1) Antagonists: Ligand-Based Discovery, Activity in a Rodent Asthma Model, and Mechanism-of-Action via Cryogenic Electron Microscopy. J.Med.Chem., 64, 2021
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8HF8
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![BU of 8hf8 by Molmil](/molmil-images/mine/8hf8) | Human PPAR delta ligand binding domain in complex with a synthetic agonist V1 | 分子名称: | 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside | 著者 | Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. | 登録日 | 2022-11-09 | 公開日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Discovery of the First Subnanomolar PPAR alpha / delta Dual Agonist for the Treatment of Cholestatic Liver Diseases. J.Med.Chem., 66, 2023
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6VDR
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![BU of 6vdr by Molmil](/molmil-images/mine/6vdr) | Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Deuteroporphyrin IX and Substrate 4-bromophenol | 分子名称: | 1,2-ETHANEDIOL, 4-BROMOPHENOL, Dehaloperoxidase B, ... | 著者 | Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T. | 登録日 | 2019-12-27 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme To Be Published
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7K4I
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![BU of 7k4i by Molmil](/molmil-images/mine/7k4i) | Human Arginase 1 in complex with compound 06. | 分子名称: | 3-[(1~{S},2~{S},5~{R})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | 著者 | Palte, R.L. | 登録日 | 2020-09-15 | 公開日 | 2021-10-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors. Acs Med.Chem.Lett., 12, 2021
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6LUL
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![BU of 6lul by Molmil](/molmil-images/mine/6lul) | NMR structure and dynamics studies of yeast respiratory super-complex factor 2 in micelles | 分子名称: | Respiratory supercomplex factor 2, mitochondrial | 著者 | Zhou, S, Pontus, P, Peter, B, Maler, L, Adelroth, P. | 登録日 | 2020-01-29 | 公開日 | 2020-10-07 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR Structure and Dynamics Studies of Yeast Respiratory Supercomplex Factor 2. Structure, 29, 2021
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5WDH
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![BU of 5wdh by Molmil](/molmil-images/mine/5wdh) | Motor domain of human kinesin family member C1 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC1, MAGNESIUM ION, ... | 著者 | Zhu, H, Tempel, W, He, H, Shen, Y, Wang, J, Brothers, G, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC) | 登録日 | 2017-07-05 | 公開日 | 2017-08-09 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.248 Å) | 主引用文献 | Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein. Sci Rep, 7, 2017
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7K4H
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![BU of 7k4h by Molmil](/molmil-images/mine/7k4h) | Human Arginase 1 in complex with compound 04. | 分子名称: | 3-[(1~{R},5~{S},8~{R})-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | 著者 | Palte, R.L. | 登録日 | 2020-09-15 | 公開日 | 2021-12-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors. Acs Med.Chem.Lett., 12, 2021
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7K4J
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![BU of 7k4j by Molmil](/molmil-images/mine/7k4j) | Human Arginase 1 in complex with compound 51. | 分子名称: | 3-[(1~{S},2~{S},5~{R})-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | 著者 | Palte, R.L. | 登録日 | 2020-09-15 | 公開日 | 2021-12-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors. Acs Med.Chem.Lett., 12, 2021
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7K4G
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![BU of 7k4g by Molmil](/molmil-images/mine/7k4g) | Human Arginase 1 in complex with compound 01. | 分子名称: | 3-[(2~{S},3~{R})-2-carboxypyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | 著者 | Palte, R.L. | 登録日 | 2020-09-15 | 公開日 | 2021-12-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors. Acs Med.Chem.Lett., 12, 2021
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7K4K
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![BU of 7k4k by Molmil](/molmil-images/mine/7k4k) | Human Arginase 1 in complex with compound 52. | 分子名称: | 3-[(3~{a}~{S},4~{S},6~{a}~{R})-4-carboxy-2,3,4,5,6,6~{a}-hexahydro-1~{H}-pyrrolo[2,3-c]pyrrol-3~{a}-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | 著者 | Palte, R.L. | 登録日 | 2020-09-15 | 公開日 | 2021-12-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors. Acs Med.Chem.Lett., 12, 2021
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6VDS
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![BU of 6vds by Molmil](/molmil-images/mine/6vds) | Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Deuteroporphyrin IX and Substrate 4-bromo-ortho-cresol | 分子名称: | 1,2-ETHANEDIOL, 4-bromo-2-methylphenol, Dehaloperoxidase B, ... | 著者 | Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T. | 登録日 | 2019-12-27 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme To Be Published
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8U1U
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![BU of 8u1u by Molmil](/molmil-images/mine/8u1u) | Structure of a class A GPCR/agonist complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-C motif chemokine 1,C-C chemokine receptor type 8,EGFP fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Sun, D, Johnson, M, Masureel, M. | 登録日 | 2023-09-02 | 公開日 | 2023-12-20 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural basis of antibody inhibition and chemokine activation of the human CC chemokine receptor 8. Nat Commun, 14, 2023
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4Y2D
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![BU of 4y2d by Molmil](/molmil-images/mine/4y2d) | Crystal structure of the mCD1d/7DW8-5/iNKTCR ternary complex | 分子名称: | 11-(4-fluorophenyl)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zajonc, D.M, Yu, E.D. | 登録日 | 2015-02-09 | 公開日 | 2015-05-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Structural modifications of alphaGalCer in both lipid and carbohydrate moiety influence activation of murine and human iNKT cells To Be Published
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6IX4
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![BU of 6ix4 by Molmil](/molmil-images/mine/6ix4) | Structure of an epoxide hydrolase from Aspergillus usamii E001 (AuEH2) at 1.51 Angstroms resolution | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | 著者 | Hu, D, Hu, B.C, Hou, X.D, Wu, L, Rao, Y.J, Wu, M.C. | 登録日 | 2018-12-09 | 公開日 | 2019-12-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.511 Å) | 主引用文献 | Nearly perfect kinetic resolution of racemic o-nitrostyrene oxide by AuEH2, a microsomal epoxide hydrolase from Aspergillus usamii, with high enantio- and regio-selectivity. Int.J.Biol.Macromol., 169, 2021
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6VD5
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![BU of 6vd5 by Molmil](/molmil-images/mine/6vd5) | Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Mesoporphyrin IX and Substrate Trichlorophenol | 分子名称: | 1,2-ETHANEDIOL, 2,4,6-trichlorophenol, Dehaloperoxidase B, ... | 著者 | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | 登録日 | 2019-12-23 | 公開日 | 2020-12-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme To Be Published
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6VDT
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![BU of 6vdt by Molmil](/molmil-images/mine/6vdt) | Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Deuteroporphyrin IX and Substrate 4-nitrophenol | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase B, ... | 著者 | Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T. | 登録日 | 2019-12-27 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.978 Å) | 主引用文献 | Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme To Be Published
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4R7I
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![BU of 4r7i by Molmil](/molmil-images/mine/4r7i) | |
4XH3
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6VD4
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6VD3
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8DGG
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![BU of 8dgg by Molmil](/molmil-images/mine/8dgg) | Structure of glycosylated LAG-3 homodimer | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Silberstein, J.L, Mathews, I.I, Frank, J.A, Chan, K.-W, Fernandez, D, Du, J, Wang, J, Kong, X.-P, Cochran, J.R. | 登録日 | 2022-06-23 | 公開日 | 2022-08-17 | 最終更新日 | 2022-08-31 | 実験手法 | X-RAY DIFFRACTION (3.78 Å) | 主引用文献 | Structural basis for LAG-3 dimeric association and inhibition of T cell function To Be Published
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2I1T
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5YR3
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6JCM
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![BU of 6jcm by Molmil](/molmil-images/mine/6jcm) | Crystal structure of ligand-free Rv0187. | 分子名称: | ACETATE ION, Probable O-methyltransferase | 著者 | Kim, J, Lee, S. | 登録日 | 2019-01-29 | 公開日 | 2019-12-11 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Structural and biochemical characterization of Rv0187, an O-methyltransferase from Mycobacterium tuberculosis. Sci Rep, 9, 2019
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