8HVK
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![BU of 8hvk by Molmil](/molmil-images/mine/8hvk) | Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF07321332 | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Zeng, P, Zhang, J, Li, J. | 登録日 | 2022-12-27 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Crystal structure of SARS-Cov-2 main protease
G15S mutant in complex with PF07321332 To Be Published
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4MPY
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![BU of 4mpy by Molmil](/molmil-images/mine/4mpy) | 1.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus (IDP00699) in complex with NAD+ | 分子名称: | Betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | 著者 | Halavaty, A.S, Minasov, G, Shuvalova, L, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2013-09-14 | 公開日 | 2013-10-09 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure-based mutational studies of substrate inhibition of betaine aldehyde dehydrogenase BetB from Staphylococcus aureus. Appl.Environ.Microbiol., 80, 2014
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8HVT
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![BU of 8hvt by Molmil](/molmil-images/mine/8hvt) | Structure of the human CLC-7/Ostm1 complex reveals a novel state | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, H(+)/Cl(-) exchange transporter 7, Osteopetrosis-associated transmembrane protein 1, ... | 著者 | Zhang, Z.X, Chen, L, He, J, She, J. | 登録日 | 2022-12-27 | 公開日 | 2024-01-03 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Structure of the human CLC-7/Ostm1 complex reveals a novel state JUSTC, 53, 2023
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1X11
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![BU of 1x11 by Molmil](/molmil-images/mine/1x11) | X11 PTB DOMAIN | 分子名称: | 13-MER PEPTIDE, X11 | 著者 | Lee, C.-H, Zhang, Z, Kuriyan, J. | 登録日 | 1997-07-28 | 公開日 | 1998-01-14 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Sequence-specific recognition of the internalization motif of the Alzheimer's amyloid precursor protein by the X11 PTB domain. EMBO J., 16, 1997
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6FV7
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![BU of 6fv7 by Molmil](/molmil-images/mine/6fv7) | Dimer structure of the MATE family multidrug resistance transporter Aq_128 from Aquifex aeolicus in the outward-facing state | 分子名称: | Aq128 | 著者 | Zhao, J, Safarian, S, Thielmann, Y, Xie, H, Wang, J, Michel, H. | 登録日 | 2018-03-01 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | Dimer structure of Aq128 in the outward-facing state To Be Published
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4MPB
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![BU of 4mpb by Molmil](/molmil-images/mine/4mpb) | 1.7 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus | 分子名称: | Betaine aldehyde dehydrogenase, CHLORIDE ION, MAGNESIUM ION | 著者 | Halavaty, A.S, Shuvalova, L, Minasov, G, Dubrovska, I, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2013-09-12 | 公開日 | 2013-09-25 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure-based mutational studies of substrate inhibition of betaine aldehyde dehydrogenase BetB from Staphylococcus aureus. Appl.Environ.Microbiol., 80, 2014
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4XZ4
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![BU of 4xz4 by Molmil](/molmil-images/mine/4xz4) | Structure of PI3K gamma in complex with an inhibitor | 分子名称: | N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M. | 登録日 | 2015-02-03 | 公開日 | 2016-02-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure of PI3K gamma in complex with an inhibitor To Be Published
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8IO3
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![BU of 8io3 by Molmil](/molmil-images/mine/8io3) | Cryo-EM structure of human HCN3 channel with cilobradine | 分子名称: | 3-[[(3~{S})-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1~{H}-3-benzazepin-4-one, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3 | 著者 | Yu, B, Lu, Q.Y, Li, J, Zhang, J. | 登録日 | 2023-03-10 | 公開日 | 2024-04-10 | 実験手法 | ELECTRON MICROSCOPY (3.02 Å) | 主引用文献 | Cryo-EM structure of human HCN3 channel with cilobradine To Be Published
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6G7K
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![BU of 6g7k by Molmil](/molmil-images/mine/6g7k) | Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 10 ps state structure | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ... | 著者 | Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J. | 登録日 | 2018-04-06 | 公開日 | 2018-06-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser. Science, 361, 2018
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6Q9L
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4XX5
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![BU of 4xx5 by Molmil](/molmil-images/mine/4xx5) | Structure of PI3K gamma in complex with an inhibitor | 分子名称: | N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M. | 登録日 | 2015-01-29 | 公開日 | 2015-08-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | 主引用文献 | Structure of PI3K gamma in complex with an inhibitor To Be Published
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6Q9U
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![BU of 6q9u by Molmil](/molmil-images/mine/6q9u) | HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 12 AT 2.4A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes | 分子名称: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile, CHLORIDE ION, ... | 著者 | Kallen, J. | 登録日 | 2018-12-18 | 公開日 | 2019-05-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes. Chemmedchem, 14, 2019
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7T03
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![BU of 7t03 by Molmil](/molmil-images/mine/7t03) | NMR structure of a designed cold unfolding four helix bundle | 分子名称: | Cold unfolding four helix bundle | 著者 | Pulavarti, S, Szyperski, T, Yuen, S, Maguire, J, Griffin, J, Kuhlman, B. | 登録日 | 2021-11-29 | 公開日 | 2022-03-02 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | From Protein Design to the Energy Landscape of a Cold Unfolding Protein. J.Phys.Chem.B, 126, 2022
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6Q2J
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![BU of 6q2j by Molmil](/molmil-images/mine/6q2j) | Cryo-EM structure of extracellular dimeric complex of RET/GFRAL/GDF15 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GDNF family receptor alpha-like, ... | 著者 | Li, J, Shang, G.J, Chen, Y.J, Brautigam, C.A, Liou, J, Zhang, X.W, Bai, X.C. | 登録日 | 2019-08-08 | 公開日 | 2019-10-02 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Cryo-EM analyses reveal the common mechanism and diversification in the activation of RET by different ligands. Elife, 8, 2019
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6FWN
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![BU of 6fwn by Molmil](/molmil-images/mine/6fwn) | Structure and dynamics of the platelet integrin-binding C4 domain of von Willebrand factor | 分子名称: | von Willebrand factor | 著者 | Xu, E.-R, von Buelow, S, Chen, P.-C, Lenting, P.J, Kolsek, K, Aponte-Santamaria, C, Simon, B, Foot, J, Obser, T, Graeter, F, Schneppenheim, R, Denis, C.V, Wilmanns, M, Hennig, J. | 登録日 | 2018-03-06 | 公開日 | 2018-10-24 | 最終更新日 | 2019-05-08 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure and dynamics of the platelet integrin-binding C4 domain of von Willebrand factor. Blood, 133, 2019
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6TRA
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![BU of 6tra by Molmil](/molmil-images/mine/6tra) | Cryo- EM structure of the Thermosynechococcus elongatus photosystem I in the presence of cytochrome c6 | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | 著者 | Koelsch, A, Radon, C, Baumert, A, Buerger, J, Miehlke, T, Lisdat, F, Zouni, A, Wendler, P. | 登録日 | 2019-12-18 | 公開日 | 2020-09-16 | 実験手法 | ELECTRON MICROSCOPY (2.85 Å) | 主引用文献 | Current limits of structural biology: The transient interaction between cytochrome c6 and photosystem I Curr.Opin.Struct.Biol., 2, 2020
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7CDI
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![BU of 7cdi by Molmil](/molmil-images/mine/7cdi) | Crystal structure of SARS-CoV-2 antibody P2C-1F11 with RBD | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ... | 著者 | Wang, X, Zhang, L, Ge, J, Wang, R. | 登録日 | 2020-06-19 | 公開日 | 2020-11-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | 主引用文献 | Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry. Nat Commun, 12, 2021
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8IS3
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![BU of 8is3 by Molmil](/molmil-images/mine/8is3) | Structural model for the micelle-bound indolicidin-like peptide in solution | 分子名称: | Indolicidin-like antimicrobial peptide | 著者 | Kim, B, Ko, Y.H, Kim, J, Lee, J, Nam, C.H, Kim, J.H. | 登録日 | 2023-03-20 | 公開日 | 2024-03-20 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural model for the micelle-bound indolicidin-like peptide in solution To Be Published
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6TSK
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![BU of 6tsk by Molmil](/molmil-images/mine/6tsk) | Beta-galactosidase in complex with L-ribose | 分子名称: | Beta-galactosidase, MAGNESIUM ION, beta-L-ribopyranose | 著者 | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | 登録日 | 2019-12-20 | 公開日 | 2020-01-08 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | 主引用文献 | Fragment-based drug discovery using cryo-EM. Drug Discov Today, 25, 2020
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7CDJ
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![BU of 7cdj by Molmil](/molmil-images/mine/7cdj) | Crystal structure of SARS-CoV-2 antibody P2C-1A3 with RBD | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1A3 heavy chain, ... | 著者 | Wang, X, Zhang, L, Ge, J, Wang, R. | 登録日 | 2020-06-19 | 公開日 | 2020-11-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.396 Å) | 主引用文献 | Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry. Nat Commun, 12, 2021
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6Q9O
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6Q2S
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![BU of 6q2s by Molmil](/molmil-images/mine/6q2s) | Cryo-EM structure of RET/GFRa3/ARTN extracellular complex. The 3D refinement was applied with C2 symmetry. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GDNF family receptor alpha-3, ... | 著者 | Li, J, Shang, G.J, Chen, Y.J, Brautigam, C.A, Liou, J, Zhang, X.W, Bai, X.C. | 登録日 | 2019-08-08 | 公開日 | 2019-10-02 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Cryo-EM analyses reveal the common mechanism and diversification in the activation of RET by different ligands. Elife, 8, 2019
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6Q9Q
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![BU of 6q9q by Molmil](/molmil-images/mine/6q9q) | HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 13 AT 2.1A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes | 分子名称: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1~{H}-indole-2-carboxamide, GLYCEROL, ... | 著者 | Kallen, J. | 登録日 | 2018-12-18 | 公開日 | 2019-05-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes. Chemmedchem, 14, 2019
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2C6C
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![BU of 2c6c by Molmil](/molmil-images/mine/2c6c) | membrane-bound glutamate carboxypeptidase II (GCPII) in complex with GPI-18431 (S)-2-(4-iodobenzylphosphonomethyl)-pentanedioic acid | 分子名称: | (2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}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 | Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R. | 登録日 | 2005-11-09 | 公開日 | 2006-02-15 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of Glutamate Carboxypeptidase II, a Drug Target in Neuronal Damage and Prostate Cancer. Embo J., 25, 2006
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8I3V
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![BU of 8i3v by Molmil](/molmil-images/mine/8i3v) | Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant escitalopram in an inward-open state at resolution of 2.85 angstrom. | 分子名称: | (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, CHLORIDE ION, Sodium-dependent noradrenaline transporter | 著者 | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | 登録日 | 2023-01-18 | 公開日 | 2024-07-03 | 最終更新日 | 2024-08-07 | 実験手法 | ELECTRON MICROSCOPY (2.85 Å) | 主引用文献 | Molecular basis of human noradrenaline transporter reuptake and inhibition. Nature, 2024
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