6GJ7
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![BU of 6gj7 by Molmil](/molmil-images/mine/6gj7) | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 22 | 分子名称: | (3~{S})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | 著者 | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | 登録日 | 2018-05-16 | 公開日 | 2019-07-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Drugging an undruggable pocket on KRAS. Proc.Natl.Acad.Sci.USA, 116, 2019
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7M53
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![BU of 7m53 by Molmil](/molmil-images/mine/7m53) | B6 Fab fragment bound to the SARS-CoV/SARS-CoV-2 spike stem helix peptide | 分子名称: | B6 antigen-binding (Fab) fragment heavy chain, B6 antigen-binding (Fab) fragment light chain, GLYCEROL, ... | 著者 | Sauer, M.M, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2021-03-22 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural basis for broad coronavirus neutralization. Nat.Struct.Mol.Biol., 28, 2021
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5G53
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![BU of 5g53 by Molmil](/molmil-images/mine/5g53) | Structure of the adenosine A2A receptor bound to an engineered G protein | 分子名称: | ADENOSINE RECEPTOR A2A, ENGINEERED DOMAIN OF HUMAN G ALPHA S LONG ISOFORM, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Carpenter, B, Nehme, R, Warne, T, Leslie, A.G.W, Tate, C.G. | 登録日 | 2016-05-19 | 公開日 | 2016-08-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Structure of the Adenosine A2A Receptor Bound to an Engineered G Protein Nature, 536, 2016
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6I0P
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![BU of 6i0p by Molmil](/molmil-images/mine/6i0p) | Structure of quinolinate synthase in complex with 6-mercaptopyridine-2,3-dicarboxylic acid | 分子名称: | 6-mercaptopyridine-2,3-dicarboxylic acid, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | 著者 | Volbeda, A, Fontecilla-Camps, J.C. | 登録日 | 2018-10-26 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design of specific inhibitors of quinolinate synthase based on [4Fe-4S] cluster coordination. Chem.Commun.(Camb.), 55, 2019
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6BR6
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![BU of 6br6 by Molmil](/molmil-images/mine/6br6) | N2 neuraminidase in complex with a novel antiviral compound | 分子名称: | (1R)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Li, L.H, Ve, T, Pascolutti, M, Hadhazi, A, Bailly, B, Thomson, R.J, Gao, G.F, von Itzstein, M. | 登録日 | 2017-11-30 | 公開日 | 2018-03-07 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.03983879 Å) | 主引用文献 | A Sulfonozanamivir Analogue Has Potent Anti-influenza Virus Activity. ChemMedChem, 13, 2018
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7M51
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![BU of 7m51 by Molmil](/molmil-images/mine/7m51) | B6 Fab fragment bound to the OC43 spike stem helix peptide | 分子名称: | B6 antigen-binding (Fab) fragment heavy chain, B6 antigen-binding (Fab) fragment light chain, GLYCEROL, ... | 著者 | Sauer, M.M, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2021-03-22 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural basis for broad coronavirus neutralization. Nat.Struct.Mol.Biol., 28, 2021
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7Q8W
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![BU of 7q8w by Molmil](/molmil-images/mine/7q8w) | Crystal structure of TTBK1 in complex with VNG1.35 (compound 23) | 分子名称: | 1,2-ETHANEDIOL, PHOSPHATE ION, Tau-tubulin kinase 1, ... | 著者 | Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2021-11-11 | 公開日 | 2022-03-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy. J.Med.Chem., 65, 2022
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6Z99
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![BU of 6z99 by Molmil](/molmil-images/mine/6z99) | Copper transporter OprC | 分子名称: | Putative copper transport outer membrane porin OprC, SILVER ION | 著者 | Bhamidimarri, S.P, van den Berg, B. | 登録日 | 2020-06-03 | 公開日 | 2021-06-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site. Plos Biol., 19, 2021
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8BTW
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![BU of 8btw by Molmil](/molmil-images/mine/8btw) | Structure of D179N BlaC from Mycobacterium tuberculosis in complex with vaborbactam | 分子名称: | Beta-lactamase, GLYCEROL, PHOSPHATE ION, ... | 著者 | Chikunova, A, Bruenle, S, Ubbink, M. | 登録日 | 2022-12-02 | 公開日 | 2023-07-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis. Febs J., 290, 2023
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6GJR
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![BU of 6gjr by Molmil](/molmil-images/mine/6gjr) | Cyclophilin A complexed with tri-vector ligand 9. | 分子名称: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate | 著者 | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | 登録日 | 2018-05-16 | 公開日 | 2018-11-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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7Q90
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![BU of 7q90 by Molmil](/molmil-images/mine/7q90) | Crystal structure of TTBK2 in complex with VNG1.63 (compound 32) | 分子名称: | PHOSPHATE ION, Tau-tubulin kinase 2, ~{N}-[4-(4-methoxyphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | 著者 | Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2021-11-11 | 公開日 | 2022-03-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy. J.Med.Chem., 65, 2022
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6ZIC
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![BU of 6zic by Molmil](/molmil-images/mine/6zic) | |
5G6J
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![BU of 5g6j by Molmil](/molmil-images/mine/5g6j) | |
8QOH
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![BU of 8qoh by Molmil](/molmil-images/mine/8qoh) | Crystal structure of the kinetoplastid kinetochore protein KKT14 C-terminal domain from Apiculatamorpha spiralis | 分子名称: | kinetochore protein KKT14 | 著者 | Carter, W, Ballmer, D, Ishii, M, Ludzia, P, Akiyoshi, B. | 登録日 | 2023-09-28 | 公開日 | 2024-01-17 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Kinetoplastid kinetochore proteins KKT14-KKT15 are divergent Bub1/BubR1-Bub3 proteins. Open Biology, 14, 2024
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6ZJG
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![BU of 6zjg by Molmil](/molmil-images/mine/6zjg) | Crystal structure of ACPA E4 in complex with CII-C-48-CIT | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACPA E4 Fab fragment - heavy chain, ACPA E4 Fab fragment - light chain, ... | 著者 | Ge, C, Holmdahl, R. | 登録日 | 2020-06-29 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Crystal structure of ACPA E4 in complex with CII-C-48-CIT To Be Published
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6RB6
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![BU of 6rb6 by Molmil](/molmil-images/mine/6rb6) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-053 | 分子名称: | 1,2-ETHANEDIOL, 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide, FORMIC ACID, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2019-04-09 | 公開日 | 2019-07-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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6ZIB
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6R27
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![BU of 6r27 by Molmil](/molmil-images/mine/6r27) | Crystallographic superstructure of the photosensory core module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) locked in a Pr-like state | 分子名称: | 3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Bacteriophytochrome protein | 著者 | Scheerer, P, Michael, N, Lamparter, T, Krauss, N. | 登録日 | 2019-03-15 | 公開日 | 2020-04-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Crystal structures of the photosensory core module of bacteriophytochrome Agp1 reveal pronounced structural flexibility of this protein in the red-absorbing Pr state To Be Published
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6H6A
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![BU of 6h6a by Molmil](/molmil-images/mine/6h6a) | Crystal structure of UNC119 in complex with LCK peptide | 分子名称: | GLY-CYS-GLY-CYS-SER-SER, GLYCEROL, MYRISTIC ACID, ... | 著者 | Yelland, T, ElMaghloob, Y, McIlwraith, M, Stephen, L, Ismail, S. | 登録日 | 2018-07-26 | 公開日 | 2018-09-26 | 最終更新日 | 2019-11-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Ciliary Machinery Is Repurposed for T Cell Immune Synapse Trafficking of LCK. Dev.Cell, 47, 2018
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7MU2
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![BU of 7mu2 by Molmil](/molmil-images/mine/7mu2) | Crystal Structure of WIPI2 in complex with W2IR of ATG16L1 | 分子名称: | Autophagy-related protein 16-1, WD repeat domain phosphoinositide-interacting protein 2 | 著者 | Strong, L.M, Flower, T.G, Buffalo, C.Z, Hurley, J.H. | 登録日 | 2021-05-14 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural basis for membrane recruitment of ATG16L1 by WIPI2 in autophagy. Elife, 10, 2021
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8QWZ
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![BU of 8qwz by Molmil](/molmil-images/mine/8qwz) | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid | 分子名称: | 4-[6-(6-propan-2-yloxyindol-1-yl)pyrazin-2-yl]benzoic acid, Casein kinase II subunit alpha, SULFATE ION | 著者 | Kraemer, A, Galal, K, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2023-10-20 | 公開日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid To Be Published
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6RBC
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![BU of 6rbc by Molmil](/molmil-images/mine/6rbc) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor KB1157 | 分子名称: | (2~{S})-2-[[(2~{R})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid, 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 | Barinka, C, Kutil, Z. | 登録日 | 2019-04-10 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Novel beta- and gamma-Amino Acid-Derived Inhibitors of Prostate-Specific Membrane Antigen. J.Med.Chem., 63, 2020
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6GJY
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![BU of 6gjy by Molmil](/molmil-images/mine/6gjy) | Cyclophilin A complexed with tri-vector ligand 5. | 分子名称: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate | 著者 | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | 登録日 | 2018-05-17 | 公開日 | 2018-11-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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8BI2
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![BU of 8bi2 by Molmil](/molmil-images/mine/8bi2) | Syk kinase domain in complex with macrocyclic inhibitor 20a | 分子名称: | 10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one, Tyrosine-protein kinase SYK | 著者 | Read, J.A, Patel, J. | 登録日 | 2022-11-01 | 公開日 | 2023-06-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.508 Å) | 主引用文献 | Optimization of a series of novel, potent and selective Macrocyclic SYK inhibitors. Bioorg.Med.Chem.Lett., 91, 2023
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6Z5Y
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![BU of 6z5y by Molmil](/molmil-images/mine/6z5y) | |