8RXR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rxr by Molmil](/molmil-images/mine/8rxr) | Crystal structure of VPS34 in complex with inhibitor SB02024 | 分子名称: | 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M. | 登録日 | 2024-02-07 | 公開日 | 2024-03-20 | 最終更新日 | 2024-08-21 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy. Mol Oncol, 18, 2024
|
|
4RLP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rlp by Molmil](/molmil-images/mine/4rlp) | Human p70s6k1 with ruthenium-based inhibitor FL772 | 分子名称: | CHLORIDE ION, [(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium, p70S6K1 | 著者 | Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R. | 登録日 | 2014-10-17 | 公開日 | 2015-01-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Development of Organometallic S6K1 Inhibitors. J.Med.Chem., 58, 2015
|
|
8QZ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qz2 by Molmil](/molmil-images/mine/8qz2) | Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an inhibitory nanobody (Nb61) | 分子名称: | Nanobody 61, POTASSIUM ION, Potassium channel subfamily K member 10 | 著者 | Baronina, A, Pike, A.C.W, Rodstrom, K.E.J, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC) | 登録日 | 2023-10-26 | 公開日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation. Nat Commun, 15, 2024
|
|
4RLO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rlo by Molmil](/molmil-images/mine/4rlo) | Human p70s6k1 with ruthenium-based inhibitor EM5 | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R. | 登録日 | 2014-10-17 | 公開日 | 2015-01-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.527 Å) | 主引用文献 | Development of Organometallic S6K1 Inhibitors. J.Med.Chem., 58, 2015
|
|
6PUK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6puk by Molmil](/molmil-images/mine/6puk) | Structure of human MAIT A-F7 TCR in complex with human MR1-JYM72 | 分子名称: | 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol, ACETATE ION, Beta-2-microglobulin, ... | 著者 | Awad, W, Keller, A.N, Rossjohn, J. | 登録日 | 2019-07-18 | 公開日 | 2020-02-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
|
|
6PUF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6puf by Molmil](/molmil-images/mine/6puf) | Structure of human MAIT A-F7 TCR in complex with human MR1-5'D-5-OP-RU | 分子名称: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | 著者 | Awad, W, Rossjohn, J. | 登録日 | 2019-07-18 | 公開日 | 2020-02-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
|
|
6PUM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pum by Molmil](/molmil-images/mine/6pum) | Structure of human MAIT A-F7 TCR in complex with human MR1-2'D-5-OP-RU | 分子名称: | 1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, Beta-2-microglobulin, GLYCEROL, ... | 著者 | Awad, W, Keller, A.N, Rossjohn, J. | 登録日 | 2019-07-18 | 公開日 | 2020-02-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
|
|
6PUL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pul by Molmil](/molmil-images/mine/6pul) | Structure of human MAIT A-F7 TCR in complex with human MR1 3'D-5-OP-RU | 分子名称: | 1,3-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, ACETATE ION, Beta-2-microglobulin, ... | 著者 | Awad, W, Keller, A.N, Rossjohn, J. | 登録日 | 2019-07-18 | 公開日 | 2020-02-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
|
|
6YLA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yla by Molmil](/molmil-images/mine/6yla) | Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I. | 登録日 | 2020-04-06 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike. Cell Host Microbe, 28, 2020
|
|
6PUE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pue by Molmil](/molmil-images/mine/6pue) | Structure of human MAIT A-F7 TCR in complex with human MR1-4'D-5-OP-RU | 分子名称: | 1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, Beta-2-microglobulin, GLYCEROL, ... | 著者 | Awad, W, Rossjohn, J. | 登録日 | 2019-07-18 | 公開日 | 2020-02-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
|
|
6PUC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6puc by Molmil](/molmil-images/mine/6puc) | Structure of human MAIT A-F7 TCR in complex with human MR1-5-OP-RU | 分子名称: | 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, CHLORIDE ION, ... | 著者 | Awad, W, Rossjohn, J. | 登録日 | 2019-07-18 | 公開日 | 2020-02-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
|
|
6PUI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pui by Molmil](/molmil-images/mine/6pui) | Structure of human MAIT A-F7 TCR in complex with human MR1-4'OH-Butyl-5-OP-U | 分子名称: | 6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, GLYCEROL, ... | 著者 | Awad, W, Keller, A.N, Rossjohn, J. | 登録日 | 2019-07-18 | 公開日 | 2020-02-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
|
|
8EQN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8eqn by Molmil](/molmil-images/mine/8eqn) | |
6YF1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yf1 by Molmil](/molmil-images/mine/6yf1) | FKBP12 in complex with the BMP potentiator compound 8 at 1.12A resolution | 分子名称: | (1aR,3R,5S,6R,7S,9R,10R,17aS,20S,21R,22S,25R,25aR)-25-Ethyl-10,22-dihydroxy-20-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2H-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1aH,14H)-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP1A | 著者 | Kallen, J. | 登録日 | 2020-03-25 | 公開日 | 2021-03-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
|
|
6YF2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yf2 by Molmil](/molmil-images/mine/6yf2) | FKBP12 in complex with the BMP potentiator compound 6 at 1.03A resolution | 分子名称: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | 著者 | Kallen, J. | 登録日 | 2020-03-25 | 公開日 | 2021-03-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
|
|
6YF0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yf0 by Molmil](/molmil-images/mine/6yf0) | |
6YF3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yf3 by Molmil](/molmil-images/mine/6yf3) | FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution | 分子名称: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | 著者 | Kallen, J. | 登録日 | 2020-03-25 | 公開日 | 2021-03-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
|
|
6YQ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yq4 by Molmil](/molmil-images/mine/6yq4) | Crystal structure of Fusobacterium nucleatum tannase | 分子名称: | GLYCEROL, MAGNESIUM ION, SPERMIDINE, ... | 著者 | Mancheno, J.M, Anguita, J, Rodriguez, H. | 登録日 | 2020-04-16 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.399 Å) | 主引用文献 | A structurally unique Fusobacterium nucleatum tannase provides detoxicant activity against gallotannins and pathogen resistance. Microb Biotechnol, 15, 2022
|
|
6Y4M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y4m by Molmil](/molmil-images/mine/6y4m) | Structure of Tubulin Tyrosine Ligase in Complex with Tb111 | 分子名称: | (2~{R})-1-methylpiperidine-2-carboxylic acid, (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V. | 登録日 | 2020-02-21 | 公開日 | 2021-03-31 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (3.34 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis. J.Org.Chem., 86, 2021
|
|
6Y4N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y4n by Molmil](/molmil-images/mine/6y4n) | Structure of Tubulin Tyrosine Ligase in Complex with Tb116 | 分子名称: | (2~{R})-1-methylpiperidine-2-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V. | 登録日 | 2020-02-21 | 公開日 | 2021-03-31 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.852 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis. J.Org.Chem., 86, 2021
|
|
6PUH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6puh by Molmil](/molmil-images/mine/6puh) | Structure of human MAIT A-F7 TCR in complex with human MR1-Ribityl-less | 分子名称: | 6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, Human TCR alpha chain, ... | 著者 | Awad, W, Keller, A.N, Rossjohn, J. | 登録日 | 2019-07-18 | 公開日 | 2020-02-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
|
|
6Q42
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q42 by Molmil](/molmil-images/mine/6q42) | Crystal Structure of Human Pancreatic Phospholipase A2 | 分子名称: | CHLORIDE ION, Phospholipase A2 | 著者 | Saul, F, Haouz, A, Lambeau, G, Theze, J. | 登録日 | 2018-12-05 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | PLA2G1B is involved in CD4 anergy and CD4 lymphopenia in HIV-infected patients. J.Clin.Invest., 130, 2020
|
|
8PXS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pxs by Molmil](/molmil-images/mine/8pxs) | Short RNA binding to peptide amyloids | 分子名称: | RNA (5'-R(P*GP*UP*CP*A)-3'), VAL-ALA-GLN-ALA-GLN-ILE-ASN-ILE | 著者 | Rout, S.K, Cadalbert, R, Schroder, N, Wiegand, T, Zehnder, J, Gampp, O, Guntert, P, Kringler, D, Kreutz, C, Knorlein, A, Hall, J, Greenwald, J, Riek, R. | 登録日 | 2023-07-24 | 公開日 | 2023-10-18 | 実験手法 | SOLID-STATE NMR | 主引用文献 | An Analysis of Nucleotide-Amyloid Interactions Reveals Selective Binding to Codon-Sized RNA. J.Am.Chem.Soc., 145, 2023
|
|
6YS3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ys3 by Molmil](/molmil-images/mine/6ys3) | Cryo-EM structure of the 50S ribosomal subunit at 2.58 Angstroms with modeled GBC SecM peptide | 分子名称: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | 著者 | Schulte, L, Reitz, J, Kudlinzki, D, Hodirnau, V.V, Frangakis, A, Schwalbe, H. | 登録日 | 2020-04-20 | 公開日 | 2020-09-30 | 実験手法 | ELECTRON MICROSCOPY (2.58 Å) | 主引用文献 | Cryo-EM structure of the 50S ribosomal subunit at 2.58 Angstroms with modeled GBC SecM peptide Nat Commun, 2020
|
|
5NV8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nv8 by Molmil](/molmil-images/mine/5nv8) | Structural basis for EarP-mediated arginine glycosylation of translation elongation factor EF-P | 分子名称: | 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, EF-P arginine 32 rhamnosyl-transferase | 著者 | Macosek, J, Krafczyk, R, Jagtap, P.K.A, Lassaka, J, Hennig, J. | 登録日 | 2017-05-03 | 公開日 | 2017-10-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.294 Å) | 主引用文献 | Structural Basis for EarP-Mediated Arginine Glycosylation of Translation Elongation Factor EF-P. MBio, 8, 2017
|
|