6WOA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6woa by Molmil](/molmil-images/mine/6woa) | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 2-Diphosphoinositol pentakisphosphate (2-IP7), Mg, and Fluoride ion | 分子名称: | (1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | 著者 | Zong, G.N, Wang, H.C, Shears, S.B. | 登録日 | 2020-04-24 | 公開日 | 2021-03-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1. Faseb J., 35, 2021
|
|
6WOD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wod by Molmil](/molmil-images/mine/6wod) | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with inositol hexakisphosphate and Mg, presoaked with 5-IP7, Mg and Fluoride, soaking 2min in the absence of Fluoride. | 分子名称: | CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, INOSITOL HEXAKISPHOSPHATE, ... | 著者 | Zong, G.N, Wang, H.C, Shears, S.B. | 登録日 | 2020-04-24 | 公開日 | 2021-03-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1. Faseb J., 35, 2021
|
|
7Z25
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z25 by Molmil](/molmil-images/mine/7z25) | TRYPSIN (BOVINE) COMPLEXED WITH compound 12 | 分子名称: | 2-(5-bromanyl-7-fluoranyl-2-methyl-1H-indol-3-yl)ethanamine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | 著者 | Schiering, N, Dalvit, C, Vulpetti, A. | 登録日 | 2022-02-25 | 公開日 | 2022-05-25 | 最終更新日 | 2022-07-20 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Efficient Screening of Target-Specific Selected Compounds in Mixtures by 19 F NMR Binding Assay with Predicted 19 F NMR Chemical Shifts. Chemmedchem, 17, 2022
|
|
6WOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wof by Molmil](/molmil-images/mine/6wof) | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with inositol hexakisphosphate and Mg, presoaked with 5-IP7, Mg and Fluoride, soaking 20min in the absence of Fluoride. | 分子名称: | CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, INOSITOL HEXAKISPHOSPHATE, ... | 著者 | Zong, G.N, Wang, H.C, Shears, S.B. | 登録日 | 2020-04-24 | 公開日 | 2021-03-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1. Faseb J., 35, 2021
|
|
6WOB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wob by Molmil](/molmil-images/mine/6wob) | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 4-diphosphoinositol pentakisphosphate (4-IP7), Mg, and Fluoride ion | 分子名称: | (1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | 著者 | Zong, G.N, Wang, H.C, Shears, B.S. | 登録日 | 2020-04-24 | 公開日 | 2021-03-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1. Faseb J., 35, 2021
|
|
6WX3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wx3 by Molmil](/molmil-images/mine/6wx3) | High resolution Tryptophan Synthase crystal structure from Salmonella typhimurium in complex with F9 inhibitor in the alpha-site, Cesium ion at the metal coordination site and internal aldimine form. | 分子名称: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ... | 著者 | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | 登録日 | 2020-05-09 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | High resolution Tryptophan Synthase crystal structure from Salmonella typhimurium in complex with F9 inhibitor in the alpha-site, Cesium ion at the metal coordination site and internal aldimine form. To be Published
|
|
6WZT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wzt by Molmil](/molmil-images/mine/6wzt) | CryoEM structure of influenza hemagglutinin A/Victoria/361/2011 in complex with cyno antibody 3B10 | 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, Cyno antibody heavy chain, ... | 著者 | Qiu, Y, Zhou, Y, Darricarrere, N. | 登録日 | 2020-05-14 | 公開日 | 2021-03-10 | 最終更新日 | 2021-03-17 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Broad neutralization of H1 and H3 viruses by adjuvanted influenza HA stem vaccines in nonhuman primates. Sci Transl Med, 13, 2021
|
|
6WOC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6woc by Molmil](/molmil-images/mine/6woc) | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5-diphosphoinositol pentakisphosphate and Mg, presoaked with 5-IP7, Mg and Fluoride, soaking 1min in the absence of Fluoride. | 分子名称: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | 著者 | Zong, G.N, Wang, H.C, Shears, S.B. | 登録日 | 2020-04-24 | 公開日 | 2021-03-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1. Faseb J., 35, 2021
|
|
6X0C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x0c by Molmil](/molmil-images/mine/6x0c) | Tryptophan Synthase mutant beta-Q114A in complex with Cesium ion at the metal coordination site and aminoacrylate and benzimidazole at the enzyme beta site | 分子名称: | 1,2-ETHANEDIOL, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BENZIMIDAZOLE, ... | 著者 | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | 登録日 | 2020-05-15 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | External aldimine form of Tryptophan Synthase mutant beta-Q114A in complex with Cesium ion at the metal coordination site and benzimidazole at the enzyme beta site. To be Published
|
|
6WOH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6woh by Molmil](/molmil-images/mine/6woh) | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 1,5-di-methylenebisphosphonate inositol tetrakisphosphate (1,5-PCP-IP4) | 分子名称: | Diphosphoinositol polyphosphate phosphohydrolase 1, SULFATE ION, {[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid) | 著者 | Zong, G.N, Wang, H.C, Shears, S.B. | 登録日 | 2020-04-24 | 公開日 | 2021-03-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1. Faseb J., 35, 2021
|
|
6WC8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wc8 by Molmil](/molmil-images/mine/6wc8) | |
7Z71
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z71 by Molmil](/molmil-images/mine/7z71) | Crystal structure of p63 DBD in complex with darpin C14 | 分子名称: | Darpin C14, Isoform 4 of Tumor protein 63, ZINC ION | 著者 | Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2022-03-14 | 公開日 | 2022-07-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Designed Ankyrin Repeat Proteins as a tool box for analyzing p63. Cell Death Differ., 29, 2022
|
|
6WJZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wjz by Molmil](/molmil-images/mine/6wjz) | |
6WNN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wnn by Molmil](/molmil-images/mine/6wnn) | Bacillus subtilis BioA in complex with amino donor L-Lys | 分子名称: | (2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 著者 | Souza, S.A, Ng, H.L. | 登録日 | 2020-04-22 | 公開日 | 2021-04-28 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Substrate divergence in 7,8-diaminopelargonic acid synthesis: mutagenesis and computational studies of L-lysine dependent Bacillus subtilis BioA To Be Published
|
|
7Z75
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z75 by Molmil](/molmil-images/mine/7z75) | PI3KC2a core in complex with PITCOIN3 | 分子名称: | 1,2-ETHANEDIOL, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, SULFATE ION, ... | 著者 | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | 登録日 | 2022-03-15 | 公開日 | 2022-08-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Development of selective inhibitors of phosphatidylinositol 3-kinase C2 alpha. Nat.Chem.Biol., 19, 2023
|
|
7Z73
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z73 by Molmil](/molmil-images/mine/7z73) | Crystal structure of p63 tetramerization domain in complex with darpin 8F1 | 分子名称: | Darpin 8F1, Isoform 2 of Tumor protein 63 | 著者 | Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2022-03-14 | 公開日 | 2022-07-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Designed Ankyrin Repeat Proteins as a tool box for analyzing p63. Cell Death Differ., 29, 2022
|
|
7Z6X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z6x by Molmil](/molmil-images/mine/7z6x) | Complex of E. coli LolA R43L mutant and lipoprotein | 分子名称: | Outer-membrane lipoprotein carrier protein, [(2~{S})-3-[(2~{S})-3-azanyl-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate | 著者 | Kaplan, E, Greene, N.P, Koronakis, V. | 登録日 | 2022-03-14 | 公開日 | 2022-09-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Structural basis of lipoprotein recognition by the bacterial Lol trafficking chaperone LolA. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7Z6W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z6w by Molmil](/molmil-images/mine/7z6w) | Complex of E. coli LolA and lipoprotein | 分子名称: | Outer-membrane lipoprotein carrier protein, [(2~{S})-3-[(2~{S})-3-azanyl-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate | 著者 | Kaplan, E, Greene, N.P, Koronakis, V. | 登録日 | 2022-03-14 | 公開日 | 2022-09-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Structural basis of lipoprotein recognition by the bacterial Lol trafficking chaperone LolA. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7YWK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ywk by Molmil](/molmil-images/mine/7ywk) | Crystal structure of an engineered TycA variant, TycApPLA, in complex with AMP | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | 著者 | Mittl, P, Camus, A, Truong, G, Markert, G, Hilvert, D. | 登録日 | 2022-02-14 | 公開日 | 2022-09-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Reprogramming Nonribosomal Peptide Synthetases for Site-Specific Insertion of alpha-Hydroxy Acids. J.Am.Chem.Soc., 144, 2022
|
|
6WWX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wwx by Molmil](/molmil-images/mine/6wwx) | |
6WXA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wxa by Molmil](/molmil-images/mine/6wxa) | Crystal structure of truncated Streptococcal bacteriophage hyaluronidase complexed with unsaturated hyaluronan hexa-saccharides | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Deivanayagam, C, Schormann, N. | 登録日 | 2020-05-10 | 公開日 | 2021-05-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal Structure of Streptococcal Bacteriophage Hyaluronidase:
Presence of a Prokaryotic Collagen and Elucidation of Catalytic Mechanism To Be Published
|
|
7ZB1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zb1 by Molmil](/molmil-images/mine/7zb1) | S580A with 18mer | 分子名称: | 1,2-ETHANEDIOL, 18mer, BICARBONATE ION, ... | 著者 | Song, H, Naismith, J.H. | 登録日 | 2022-03-23 | 公開日 | 2022-07-06 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides Biorxiv, 2022
|
|
7ZB0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zb0 by Molmil](/molmil-images/mine/7zb0) | macrocyclase OphP with 15mer | 分子名称: | 1,2-ETHANEDIOL, 15mer, BICARBONATE ION, ... | 著者 | Song, H, Naismith, J.H. | 登録日 | 2022-03-23 | 公開日 | 2022-07-06 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides Biorxiv, 2022
|
|
6WYM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wym by Molmil](/molmil-images/mine/6wym) | |
6WYN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wyn by Molmil](/molmil-images/mine/6wyn) | |